smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C(N)=[NH2+] ZINC000013800579 204513744 /nfs/dbraw/zinc/51/37/44/204513744.db2.gz OGXPLQPIIFXSCV-UHFFFAOYSA-N 1 0 398.854 -1.601 20 0 GAADRO CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000016439692 1074752010 /nfs/dbraw/zinc/75/20/10/1074752010.db2.gz XULZAKAYZQHSLD-UHFFFAOYSA-N 1 0 395.504 -1.410 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000018277155 1074752346 /nfs/dbraw/zinc/75/23/46/1074752346.db2.gz ZWVXJRKIKFWUQD-ZDUSSCGKSA-N 1 0 392.460 -1.093 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000018277156 1074752432 /nfs/dbraw/zinc/75/24/32/1074752432.db2.gz ZWVXJRKIKFWUQD-CYBMUJFWSA-N 1 0 392.460 -1.093 20 0 GAADRO Cn1nc(SCC(=O)NNC(=S)NCC[NH+](C)C)c(=O)n(C)c1=O ZINC000018945198 1076443910 /nfs/dbraw/zinc/44/39/10/1076443910.db2.gz GXICAPNMVHVQAX-UHFFFAOYSA-N 1 0 375.480 -2.372 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O ZINC000026251552 1076445799 /nfs/dbraw/zinc/44/57/99/1076445799.db2.gz OVYQMQODNFVEQN-IHRRRGAJSA-N 1 0 381.477 -1.138 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000028012894 1074900245 /nfs/dbraw/zinc/90/02/45/1074900245.db2.gz NIOBFOZFSIVRAM-ZDUSSCGKSA-N 1 0 392.460 -1.093 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000028012898 1074900273 /nfs/dbraw/zinc/90/02/73/1074900273.db2.gz NIOBFOZFSIVRAM-CYBMUJFWSA-N 1 0 392.460 -1.093 20 0 GAADRO C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000043180034 530085014 /nfs/dbraw/zinc/08/50/14/530085014.db2.gz QHBRFQVSFLVSTC-UHFFFAOYSA-N 1 0 375.495 -1.015 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C(=S)NCC[NH+](C)C)CC2)CC1 ZINC000044138501 637359976 /nfs/dbraw/zinc/35/99/76/637359976.db2.gz VWVXCKIQWOBAGI-UHFFFAOYSA-N 1 0 378.568 -1.468 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C(=S)NCCC[NH+](C)C)CC2)CC1 ZINC000044138571 637359946 /nfs/dbraw/zinc/35/99/46/637359946.db2.gz ROIBSNBZKVGFNU-UHFFFAOYSA-N 1 0 392.595 -1.078 20 0 GAADRO C[NH+]1CCN(c2cc(CNC(=O)NNC(=O)C(=O)NC3CC3)ccn2)CC1 ZINC000045846417 1076476039 /nfs/dbraw/zinc/47/60/39/1076476039.db2.gz IPADNBUGQLNOFX-UHFFFAOYSA-N 1 0 375.433 -1.058 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000046063774 1073909073 /nfs/dbraw/zinc/90/90/73/1073909073.db2.gz HEWBQCPZALKVOP-UHFFFAOYSA-N 1 0 382.509 -2.075 20 0 GAADRO NC(=O)CC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000048026640 1073915502 /nfs/dbraw/zinc/91/55/02/1073915502.db2.gz NZNGVEUGSGTXMP-UHFFFAOYSA-N 1 0 395.504 -1.423 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000051122035 1073952370 /nfs/dbraw/zinc/95/23/70/1073952370.db2.gz IHEZTDSLTAGEKQ-UHFFFAOYSA-N 1 0 381.477 -1.847 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000051122080 1073952498 /nfs/dbraw/zinc/95/24/98/1073952498.db2.gz DPXNNIGPZUUHSQ-UHFFFAOYSA-N 1 0 389.522 -1.655 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000051760340 1074770788 /nfs/dbraw/zinc/77/07/88/1074770788.db2.gz YAVGUNAUVXGNPG-GFCCVEGCSA-N 1 0 389.478 -2.295 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000051760344 1073919137 /nfs/dbraw/zinc/91/91/37/1073919137.db2.gz YAVGUNAUVXGNPG-LBPRGKRZSA-N 1 0 389.478 -2.295 20 0 GAADRO C[C@@H]1CN(C(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CCO1 ZINC000051767944 1073598269 /nfs/dbraw/zinc/59/82/69/1073598269.db2.gz VRAJPWGNBNNYIV-OAHLLOKOSA-N 1 0 389.522 -1.657 20 0 GAADRO C[C@H]1CN(C(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CCO1 ZINC000051767945 1073598175 /nfs/dbraw/zinc/59/81/75/1073598175.db2.gz VRAJPWGNBNNYIV-HNNXBMFYSA-N 1 0 389.522 -1.657 20 0 GAADRO O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000051854116 1076500522 /nfs/dbraw/zinc/50/05/22/1076500522.db2.gz VWAQLDNOCZNCKK-UHFFFAOYSA-N 1 0 382.461 -1.780 20 0 GAADRO O=C(C[NH+]1CCC(CO)CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000051854131 1076500508 /nfs/dbraw/zinc/50/05/08/1076500508.db2.gz KBTVVIUDHRIUDF-UHFFFAOYSA-N 1 0 390.506 -1.588 20 0 GAADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000052591967 530093594 /nfs/dbraw/zinc/09/35/94/530093594.db2.gz IJVHUUOORRFGCY-AWEZNQCLSA-N 1 0 375.495 -1.015 20 0 GAADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000052591969 530093731 /nfs/dbraw/zinc/09/37/31/530093731.db2.gz IJVHUUOORRFGCY-CQSZACIVSA-N 1 0 375.495 -1.015 20 0 GAADRO Cn1c2ncn(CC[N@@H+]3CCC[C@H](CNS(C)(=O)=O)C3)c2c(=O)n(C)c1=O ZINC000052693417 1073995960 /nfs/dbraw/zinc/99/59/60/1073995960.db2.gz ZFCGHNNFEJEXNA-GFCCVEGCSA-N 1 0 398.489 -1.305 20 0 GAADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@H](CNS(C)(=O)=O)C3)c2c(=O)n(C)c1=O ZINC000052693420 1073996025 /nfs/dbraw/zinc/99/60/25/1073996025.db2.gz ZFCGHNNFEJEXNA-LBPRGKRZSA-N 1 0 398.489 -1.305 20 0 GAADRO Cn1c2ncn(CC[NH+]3CCC(N4CCNC4=O)CC3)c2c(=O)n(C)c1=O ZINC000053283277 1076507178 /nfs/dbraw/zinc/50/71/78/1076507178.db2.gz YBRYFMRSLXXDSK-UHFFFAOYSA-N 1 0 375.433 -1.077 20 0 GAADRO CNC(=O)C1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000054171939 1074923425 /nfs/dbraw/zinc/92/34/25/1074923425.db2.gz JTNKIOKLHPLRFI-UHFFFAOYSA-N 1 0 395.504 -1.553 20 0 GAADRO CCCN(CC(=O)NC)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000056508538 1074787071 /nfs/dbraw/zinc/78/70/71/1074787071.db2.gz ORPDXMQXFUNEAK-UHFFFAOYSA-N 1 0 383.493 -1.553 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)c(=O)n2C ZINC000064348218 1074763964 /nfs/dbraw/zinc/76/39/64/1074763964.db2.gz ILMWUZAVQZRZCT-NWDGAFQWSA-N 1 0 376.417 -1.587 20 0 GAADRO CC[N@H+](CCC(=O)OC)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000064694406 1074795834 /nfs/dbraw/zinc/79/58/34/1074795834.db2.gz WBIBZRXGAIQFCZ-UHFFFAOYSA-N 1 0 384.477 -1.126 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000066734586 1076535669 /nfs/dbraw/zinc/53/56/69/1076535669.db2.gz NPQWVJFJJNQHBZ-UHFFFAOYSA-N 1 0 377.445 -1.154 20 0 GAADRO CN(C)C(=O)Cn1cc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)nn1 ZINC000068497078 1075317207 /nfs/dbraw/zinc/31/72/07/1075317207.db2.gz PLMSZGRZGHARAG-UHFFFAOYSA-N 1 0 379.465 -1.104 20 0 GAADRO CCN1CCN(CC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)C(=O)C1=O ZINC000068497551 1074766878 /nfs/dbraw/zinc/76/68/78/1074766878.db2.gz OXCSELJSNOTAQN-UHFFFAOYSA-N 1 0 381.477 -1.407 20 0 GAADRO Cn1c(N)c(C(=O)CN2CCC(C[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000069030556 1073555631 /nfs/dbraw/zinc/55/56/31/1073555631.db2.gz INOXMVMHGQYSJO-UHFFFAOYSA-N 1 0 379.461 -1.107 20 0 GAADRO CCNS(=O)(=O)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000069115521 637345361 /nfs/dbraw/zinc/34/53/61/637345361.db2.gz JGVPXLHYRSDBMC-UHFFFAOYSA-N 1 0 375.495 -1.125 20 0 GAADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000069527301 1074767358 /nfs/dbraw/zinc/76/73/58/1074767358.db2.gz MXXMHQLNRXNDJL-LBPRGKRZSA-N 1 0 378.433 -1.339 20 0 GAADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000069527302 1074767074 /nfs/dbraw/zinc/76/70/74/1074767074.db2.gz MXXMHQLNRXNDJL-GFCCVEGCSA-N 1 0 378.433 -1.339 20 0 GAADRO CC(C)NC(=O)CN1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000102690481 1074235147 /nfs/dbraw/zinc/23/51/47/1074235147.db2.gz BCZGYMVDDMPKJT-UHFFFAOYSA-N 1 0 391.476 -1.424 20 0 GAADRO Cn1c2[nH]c(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)nc2c(=O)n(C)c1=O ZINC000103150910 1074231885 /nfs/dbraw/zinc/23/18/85/1074231885.db2.gz ACBXJYWBYHJYKO-UHFFFAOYSA-N 1 0 389.460 -1.300 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000103492397 1075489816 /nfs/dbraw/zinc/48/98/16/1075489816.db2.gz RGRQDAYAERVCRY-UHFFFAOYSA-N 1 0 391.476 -1.054 20 0 GAADRO CC[NH+]1CCN(CCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000106171753 1073585641 /nfs/dbraw/zinc/58/56/41/1073585641.db2.gz AQJVLOIAZYEDPU-UHFFFAOYSA-N 1 0 391.476 -1.423 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000107507810 530086225 /nfs/dbraw/zinc/08/62/25/530086225.db2.gz GINZLYAEVIWWPF-UHFFFAOYSA-N 1 0 390.487 -1.272 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)NCCCC[NH+]1CCOCC1)c(=O)n2C ZINC000108168538 1075490912 /nfs/dbraw/zinc/49/09/12/1075490912.db2.gz XIWHCCNKJRMHBK-UHFFFAOYSA-N 1 0 378.433 -1.338 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000108420068 1075490836 /nfs/dbraw/zinc/49/08/36/1075490836.db2.gz VXFZBSMKNRKQRU-UHFFFAOYSA-N 1 0 395.441 -1.389 20 0 GAADRO Cn1c(N)c(C(=O)CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(=O)n(C)c1=O ZINC000109753491 1075490745 /nfs/dbraw/zinc/49/07/45/1075490745.db2.gz FRNXRVIUESRWBX-AWEZNQCLSA-N 1 0 392.504 -1.049 20 0 GAADRO Cn1c(N)c(C(=O)CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(=O)n(C)c1=O ZINC000109753494 1075490877 /nfs/dbraw/zinc/49/08/77/1075490877.db2.gz FRNXRVIUESRWBX-CQSZACIVSA-N 1 0 392.504 -1.049 20 0 GAADRO C[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C[NH+]1CCN(C)CC1 ZINC000114379879 1075499073 /nfs/dbraw/zinc/49/90/73/1075499073.db2.gz IHLQPZCUXSWMMD-ZDUSSCGKSA-N 1 0 391.476 -1.567 20 0 GAADRO C[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C[NH+]1CCN(C)CC1 ZINC000114379881 1075499130 /nfs/dbraw/zinc/49/91/30/1075499130.db2.gz IHLQPZCUXSWMMD-CYBMUJFWSA-N 1 0 391.476 -1.567 20 0 GAADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000139621490 530080026 /nfs/dbraw/zinc/08/00/26/530080026.db2.gz XCYOMUMLXRQCCD-CQSZACIVSA-N 1 0 375.495 -1.015 20 0 GAADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000139621629 530080203 /nfs/dbraw/zinc/08/02/03/530080203.db2.gz XCYOMUMLXRQCCD-AWEZNQCLSA-N 1 0 375.495 -1.015 20 0 GAADRO Cn1c2[nH]c(CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)nc2c(=O)n(C)c1=O ZINC000141569819 1075524464 /nfs/dbraw/zinc/52/44/64/1075524464.db2.gz BVNUXQXLBJACOB-LBPRGKRZSA-N 1 0 389.460 -1.301 20 0 GAADRO Cn1c2[nH]c(CN3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)nc2c(=O)n(C)c1=O ZINC000141569980 1075524529 /nfs/dbraw/zinc/52/45/29/1075524529.db2.gz BVNUXQXLBJACOB-GFCCVEGCSA-N 1 0 389.460 -1.301 20 0 GAADRO C[NH+](C)CCNC(=S)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000145429301 677394580 /nfs/dbraw/zinc/39/45/80/677394580.db2.gz WXIDAHAYENKDPK-GFCCVEGCSA-N 1 0 398.576 -1.443 20 0 GAADRO C[NH+](C)CCNC(=S)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000145429485 677394634 /nfs/dbraw/zinc/39/46/34/677394634.db2.gz WXIDAHAYENKDPK-LBPRGKRZSA-N 1 0 398.576 -1.443 20 0 GAADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CCN(C)C[C@@H]1C[NH3+])c2=O ZINC000162425252 637348761 /nfs/dbraw/zinc/34/87/61/637348761.db2.gz LGTZOLXMELFCHU-VIFPVBQESA-N 1 0 398.265 -1.006 20 0 GAADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CCN(C)C[C@H]1C[NH3+])c2=O ZINC000162425385 637348446 /nfs/dbraw/zinc/34/84/46/637348446.db2.gz LGTZOLXMELFCHU-SECBINFHSA-N 1 0 398.265 -1.006 20 0 GAADRO Cn1c2[nH]c(CN3CCC(C(=O)NCC[NH+](C)C)CC3)nc2c(=O)n(C)c1=O ZINC000171656794 1074716976 /nfs/dbraw/zinc/71/69/76/1074716976.db2.gz DCKWBBFXGXQRLE-UHFFFAOYSA-N 1 0 391.476 -1.150 20 0 GAADRO 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C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000268985737 1075544492 /nfs/dbraw/zinc/54/44/92/1075544492.db2.gz CIWIZUZBENDFTE-CYBMUJFWSA-N 1 0 384.462 -1.705 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000268985739 1075544475 /nfs/dbraw/zinc/54/44/75/1075544475.db2.gz CIWIZUZBENDFTE-ZDUSSCGKSA-N 1 0 384.462 -1.705 20 0 GAADRO Cn1cc(/C=C/C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(=O)n(C)c1=O ZINC000269012739 1075544997 /nfs/dbraw/zinc/54/49/97/1075544997.db2.gz XWSNLCRWIIXPPC-LFAOLKIESA-N 1 0 389.456 -1.138 20 0 GAADRO Cn1cc(/C=C/C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(=O)n(C)c1=O ZINC000269012742 1075544972 /nfs/dbraw/zinc/54/49/72/1075544972.db2.gz XWSNLCRWIIXPPC-LQYUOIDQSA-N 1 0 389.456 -1.138 20 0 GAADRO Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000269017793 1075544841 /nfs/dbraw/zinc/54/48/41/1075544841.db2.gz YWTFGHSXJOKUBW-CYBMUJFWSA-N 1 0 398.489 -1.537 20 0 GAADRO Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000269017796 1075544880 /nfs/dbraw/zinc/54/48/80/1075544880.db2.gz YWTFGHSXJOKUBW-ZDUSSCGKSA-N 1 0 398.489 -1.537 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(N3CC[NH2+]CC3)cn1)c(=O)n2C ZINC000269153762 1075545248 /nfs/dbraw/zinc/54/52/48/1075545248.db2.gz DELVLPYLZDJNLR-UHFFFAOYSA-N 1 0 398.427 -1.123 20 0 GAADRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000269207275 1075545589 /nfs/dbraw/zinc/54/55/89/1075545589.db2.gz MNZDJXUJINRZED-IINYFYTJSA-N 1 0 395.441 -1.588 20 0 GAADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000269207276 1075545575 /nfs/dbraw/zinc/54/55/75/1075545575.db2.gz MNZDJXUJINRZED-QMTHXVAHSA-N 1 0 395.441 -1.588 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c(=O)n2C ZINC000269287542 1075545846 /nfs/dbraw/zinc/54/58/46/1075545846.db2.gz CFWCLNHEJAMBJH-CYBMUJFWSA-N 1 0 392.460 -1.213 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c(=O)n2C ZINC000269287543 1075545907 /nfs/dbraw/zinc/54/59/07/1075545907.db2.gz CFWCLNHEJAMBJH-ZDUSSCGKSA-N 1 0 392.460 -1.213 20 0 GAADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000269333047 1075545935 /nfs/dbraw/zinc/54/59/35/1075545935.db2.gz AUSFUIJGKFCQHX-GFCCVEGCSA-N 1 0 378.433 -1.651 20 0 GAADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000269333048 1075545894 /nfs/dbraw/zinc/54/58/94/1075545894.db2.gz AUSFUIJGKFCQHX-LBPRGKRZSA-N 1 0 378.433 -1.651 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000269333104 1075545874 /nfs/dbraw/zinc/54/58/74/1075545874.db2.gz AXHZPOFNETYSCB-UHFFFAOYSA-N 1 0 383.474 -1.022 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000269488099 1075546616 /nfs/dbraw/zinc/54/66/16/1075546616.db2.gz LTDTYCDYZBWBOX-UHFFFAOYSA-N 1 0 383.474 -1.022 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000269511568 1075546607 /nfs/dbraw/zinc/54/66/07/1075546607.db2.gz OPLIIDVLRJZUKE-UHFFFAOYSA-N 1 0 391.472 -1.127 20 0 GAADRO Cn1c2ncn(CCN3CCN(C(=O)C[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000269547424 1075546979 /nfs/dbraw/zinc/54/69/79/1075546979.db2.gz XDXAWYANESOOHH-UHFFFAOYSA-N 1 0 377.449 -1.861 20 0 GAADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000269742085 1075547749 /nfs/dbraw/zinc/54/77/49/1075547749.db2.gz FFTFHJDIHWCPRH-GFCCVEGCSA-N 1 0 388.490 -1.203 20 0 GAADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000269742086 1075547812 /nfs/dbraw/zinc/54/78/12/1075547812.db2.gz FFTFHJDIHWCPRH-LBPRGKRZSA-N 1 0 388.490 -1.203 20 0 GAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000269870196 1075548076 /nfs/dbraw/zinc/54/80/76/1075548076.db2.gz FRDOWKJPEYCICG-KRWDZBQOSA-N 1 0 398.485 -1.151 20 0 GAADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000269870201 1075547996 /nfs/dbraw/zinc/54/79/96/1075547996.db2.gz FRDOWKJPEYCICG-QGZVFWFLSA-N 1 0 398.485 -1.151 20 0 GAADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)CC2 ZINC000269876694 1075548095 /nfs/dbraw/zinc/54/80/95/1075548095.db2.gz HEXFCPHPAVHGKG-KRWDZBQOSA-N 1 0 398.485 -1.087 20 0 GAADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)CC2 ZINC000269876696 1075547955 /nfs/dbraw/zinc/54/79/55/1075547955.db2.gz HEXFCPHPAVHGKG-QGZVFWFLSA-N 1 0 398.485 -1.087 20 0 GAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000269885270 1075548100 /nfs/dbraw/zinc/54/81/00/1075548100.db2.gz JLLWWBQHTJWQTD-KRWDZBQOSA-N 1 0 398.485 -1.151 20 0 GAADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000269885273 1075547966 /nfs/dbraw/zinc/54/79/66/1075547966.db2.gz JLLWWBQHTJWQTD-QGZVFWFLSA-N 1 0 398.485 -1.151 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2ccccc2O1 ZINC000269916903 1075548393 /nfs/dbraw/zinc/54/83/93/1075548393.db2.gz PBDLTHGHVQCHMO-KBXCAEBGSA-N 1 0 378.429 -1.045 20 0 GAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2ccccc2O1 ZINC000269916905 1075548220 /nfs/dbraw/zinc/54/82/20/1075548220.db2.gz PBDLTHGHVQCHMO-KDOFPFPSSA-N 1 0 378.429 -1.045 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2ccccc2O1 ZINC000269916907 1075548284 /nfs/dbraw/zinc/54/82/84/1075548284.db2.gz PBDLTHGHVQCHMO-KSSFIOAISA-N 1 0 378.429 -1.045 20 0 GAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2ccccc2O1 ZINC000269916909 1075548335 /nfs/dbraw/zinc/54/83/35/1075548335.db2.gz PBDLTHGHVQCHMO-RDTXWAMCSA-N 1 0 378.429 -1.045 20 0 GAADRO CCn1cc(C(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cn1 ZINC000270221084 1075548944 /nfs/dbraw/zinc/54/89/44/1075548944.db2.gz GTNQGMSYIVDFDU-UHFFFAOYSA-N 1 0 398.489 -1.278 20 0 GAADRO CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)CC(C)(CO)CO ZINC000270331953 1075550707 /nfs/dbraw/zinc/55/07/07/1075550707.db2.gz LTXCIBMSUAJOMY-UHFFFAOYSA-N 1 0 391.476 -1.065 20 0 GAADRO CS[C@@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1[NH+](C)C ZINC000270501163 1075551410 /nfs/dbraw/zinc/55/14/10/1075551410.db2.gz PPJUSRUCSHSVEJ-GHMZBOCLSA-N 1 0 380.474 -1.062 20 0 GAADRO CS[C@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1[NH+](C)C ZINC000270501166 1075551400 /nfs/dbraw/zinc/55/14/00/1075551400.db2.gz PPJUSRUCSHSVEJ-MNOVXSKESA-N 1 0 380.474 -1.062 20 0 GAADRO CS[C@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1[NH+](C)C ZINC000270501168 1075551441 /nfs/dbraw/zinc/55/14/41/1075551441.db2.gz PPJUSRUCSHSVEJ-QWRGUYRKSA-N 1 0 380.474 -1.062 20 0 GAADRO CS[C@@H]1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1[NH+](C)C ZINC000270501170 1075551488 /nfs/dbraw/zinc/55/14/88/1075551488.db2.gz PPJUSRUCSHSVEJ-WDEREUQCSA-N 1 0 380.474 -1.062 20 0 GAADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000270538410 1075551461 /nfs/dbraw/zinc/55/14/61/1075551461.db2.gz PMDURNSZDFXTJM-CYBMUJFWSA-N 1 0 392.460 -1.261 20 0 GAADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000270538413 1075551362 /nfs/dbraw/zinc/55/13/62/1075551362.db2.gz PMDURNSZDFXTJM-ZDUSSCGKSA-N 1 0 392.460 -1.261 20 0 GAADRO Cn1cc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)c(=O)n(C)c1=O ZINC000270578652 1075551384 /nfs/dbraw/zinc/55/13/84/1075551384.db2.gz PJFVXYYHYXECHH-UHFFFAOYSA-N 1 0 397.457 -1.102 20 0 GAADRO CS[C@@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1[NH+](C)C ZINC000270993768 1075553159 /nfs/dbraw/zinc/55/31/59/1075553159.db2.gz FDAIWPZQBUXJOB-GHMZBOCLSA-N 1 0 380.474 -1.062 20 0 GAADRO CS[C@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1[NH+](C)C ZINC000270993769 1075553232 /nfs/dbraw/zinc/55/32/32/1075553232.db2.gz FDAIWPZQBUXJOB-MNOVXSKESA-N 1 0 380.474 -1.062 20 0 GAADRO CS[C@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1[NH+](C)C ZINC000270993770 1075553212 /nfs/dbraw/zinc/55/32/12/1075553212.db2.gz FDAIWPZQBUXJOB-QWRGUYRKSA-N 1 0 380.474 -1.062 20 0 GAADRO 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O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331461210 1075491858 /nfs/dbraw/zinc/49/18/58/1075491858.db2.gz QCUJUZNNJBNKIQ-UONOGXRCSA-N 1 0 388.490 -1.492 20 0 GAADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331461214 1075491931 /nfs/dbraw/zinc/49/19/31/1075491931.db2.gz QCUJUZNNJBNKIQ-ZIAGYGMSSA-N 1 0 388.490 -1.492 20 0 GAADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000331461872 1075491946 /nfs/dbraw/zinc/49/19/46/1075491946.db2.gz HAYMURCPLGQQHF-UHFFFAOYSA-N 1 0 395.460 -2.274 20 0 GAADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331466611 1075491890 /nfs/dbraw/zinc/49/18/90/1075491890.db2.gz GCXNBEGOYOYXJH-HNNXBMFYSA-N 1 0 381.477 -1.671 20 0 GAADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331466616 1075491955 /nfs/dbraw/zinc/49/19/55/1075491955.db2.gz GCXNBEGOYOYXJH-OAHLLOKOSA-N 1 0 381.477 -1.671 20 0 GAADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000331471244 1075492308 /nfs/dbraw/zinc/49/23/08/1075492308.db2.gz HDQKYEVTPSZHCC-CVEARBPZSA-N 1 0 395.504 -1.282 20 0 GAADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000331471248 1075492211 /nfs/dbraw/zinc/49/22/11/1075492211.db2.gz HDQKYEVTPSZHCC-HOTGVXAUSA-N 1 0 395.504 -1.282 20 0 GAADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000331471250 1075492310 /nfs/dbraw/zinc/49/23/10/1075492310.db2.gz HDQKYEVTPSZHCC-HZPDHXFCSA-N 1 0 395.504 -1.282 20 0 GAADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000331471251 1075492266 /nfs/dbraw/zinc/49/22/66/1075492266.db2.gz HDQKYEVTPSZHCC-JKSUJKDBSA-N 1 0 395.504 -1.282 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000331483748 1075492271 /nfs/dbraw/zinc/49/22/71/1075492271.db2.gz IVVWBKKMRPTDDB-KBPBESRZSA-N 1 0 395.460 -2.275 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000331483785 1075492288 /nfs/dbraw/zinc/49/22/88/1075492288.db2.gz IVVWBKKMRPTDDB-KGLIPLIRSA-N 1 0 395.460 -2.275 20 0 GAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000331483790 1075492649 /nfs/dbraw/zinc/49/26/49/1075492649.db2.gz IVVWBKKMRPTDDB-UONOGXRCSA-N 1 0 395.460 -2.275 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[C@H](C)C[NH2+]1 ZINC000331483797 1075492575 /nfs/dbraw/zinc/49/25/75/1075492575.db2.gz IVVWBKKMRPTDDB-ZIAGYGMSSA-N 1 0 395.460 -2.275 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000331486728 1075492631 /nfs/dbraw/zinc/49/26/31/1075492631.db2.gz JFVSNCYBFUZCSW-CVEARBPZSA-N 1 0 395.504 -1.567 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000331486747 1075492621 /nfs/dbraw/zinc/49/26/21/1075492621.db2.gz JFVSNCYBFUZCSW-HOTGVXAUSA-N 1 0 395.504 -1.567 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000331486751 1075492647 /nfs/dbraw/zinc/49/26/47/1075492647.db2.gz JFVSNCYBFUZCSW-HZPDHXFCSA-N 1 0 395.504 -1.567 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000331486753 1075492630 /nfs/dbraw/zinc/49/26/30/1075492630.db2.gz JFVSNCYBFUZCSW-JKSUJKDBSA-N 1 0 395.504 -1.567 20 0 GAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000331492013 1075492644 /nfs/dbraw/zinc/49/26/44/1075492644.db2.gz JVUVZZOPEUACJZ-HNNXBMFYSA-N 1 0 381.477 -1.800 20 0 GAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000331492027 1075492602 /nfs/dbraw/zinc/49/26/02/1075492602.db2.gz JVUVZZOPEUACJZ-OAHLLOKOSA-N 1 0 381.477 -1.800 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000331494582 1075492952 /nfs/dbraw/zinc/49/29/52/1075492952.db2.gz KCBKKWVSKBZPJY-CYBMUJFWSA-N 1 0 381.433 -2.664 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000331494590 1075492933 /nfs/dbraw/zinc/49/29/33/1075492933.db2.gz KCBKKWVSKBZPJY-ZDUSSCGKSA-N 1 0 381.433 -2.664 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000331496928 1075492991 /nfs/dbraw/zinc/49/29/91/1075492991.db2.gz KKEBJMKMAFBPCW-UHFFFAOYSA-N 1 0 395.460 -2.274 20 0 GAADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000331499189 1075492964 /nfs/dbraw/zinc/49/29/64/1075492964.db2.gz KQQJPDVZBLPFRR-HNNXBMFYSA-N 1 0 381.477 -1.671 20 0 GAADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000331499191 1075492970 /nfs/dbraw/zinc/49/29/70/1075492970.db2.gz KQQJPDVZBLPFRR-OAHLLOKOSA-N 1 0 381.477 -1.671 20 0 GAADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000331501208 1075492922 /nfs/dbraw/zinc/49/29/22/1075492922.db2.gz BIHFATDPTJBTRZ-KBPBESRZSA-N 1 0 395.460 -2.370 20 0 GAADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000331501217 1075492927 /nfs/dbraw/zinc/49/29/27/1075492927.db2.gz BIHFATDPTJBTRZ-KGLIPLIRSA-N 1 0 395.460 -2.370 20 0 GAADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000331501219 1075492895 /nfs/dbraw/zinc/49/28/95/1075492895.db2.gz BIHFATDPTJBTRZ-UONOGXRCSA-N 1 0 395.460 -2.370 20 0 GAADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000331501221 1075493022 /nfs/dbraw/zinc/49/30/22/1075493022.db2.gz BIHFATDPTJBTRZ-ZIAGYGMSSA-N 1 0 395.460 -2.370 20 0 GAADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331507073 1075493391 /nfs/dbraw/zinc/49/33/91/1075493391.db2.gz LVSUSVLQQSNQJH-CVEARBPZSA-N 1 0 395.504 -1.282 20 0 GAADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331507079 1075493374 /nfs/dbraw/zinc/49/33/74/1075493374.db2.gz LVSUSVLQQSNQJH-HOTGVXAUSA-N 1 0 395.504 -1.282 20 0 GAADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331507084 1075493379 /nfs/dbraw/zinc/49/33/79/1075493379.db2.gz LVSUSVLQQSNQJH-HZPDHXFCSA-N 1 0 395.504 -1.282 20 0 GAADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331507089 1075493408 /nfs/dbraw/zinc/49/34/08/1075493408.db2.gz LVSUSVLQQSNQJH-JKSUJKDBSA-N 1 0 395.504 -1.282 20 0 GAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000331509382 1075493397 /nfs/dbraw/zinc/49/33/97/1075493397.db2.gz LZCQOTNMNWUKIY-AWEZNQCLSA-N 1 0 395.460 -2.274 20 0 GAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000331509384 1075493338 /nfs/dbraw/zinc/49/33/38/1075493338.db2.gz LZCQOTNMNWUKIY-CQSZACIVSA-N 1 0 395.460 -2.274 20 0 GAADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331511031 1075493331 /nfs/dbraw/zinc/49/33/31/1075493331.db2.gz CFODMVKUGSJUPE-CABCVRRESA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331511049 1075493353 /nfs/dbraw/zinc/49/33/53/1075493353.db2.gz CFODMVKUGSJUPE-GJZGRUSLSA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331511052 1075493786 /nfs/dbraw/zinc/49/37/86/1075493786.db2.gz CFODMVKUGSJUPE-HUUCEWRRSA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331511055 1075493678 /nfs/dbraw/zinc/49/36/78/1075493678.db2.gz CFODMVKUGSJUPE-LSDHHAIUSA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC[N@@H+]1C ZINC000331511547 1075493735 /nfs/dbraw/zinc/49/37/35/1075493735.db2.gz MYEITLHWOZOZSK-CVEARBPZSA-N 1 0 395.504 -1.412 20 0 GAADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC[N@@H+]1C ZINC000331511549 1075493817 /nfs/dbraw/zinc/49/38/17/1075493817.db2.gz MYEITLHWOZOZSK-HOTGVXAUSA-N 1 0 395.504 -1.412 20 0 GAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC[N@@H+]1C ZINC000331511550 1075493772 /nfs/dbraw/zinc/49/37/72/1075493772.db2.gz MYEITLHWOZOZSK-HZPDHXFCSA-N 1 0 395.504 -1.412 20 0 GAADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC[N@@H+]1C ZINC000331511552 1075493825 /nfs/dbraw/zinc/49/38/25/1075493825.db2.gz MYEITLHWOZOZSK-JKSUJKDBSA-N 1 0 395.504 -1.412 20 0 GAADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000331528533 1075494023 /nfs/dbraw/zinc/49/40/23/1075494023.db2.gz OWDRKSCTMVPDTP-UHFFFAOYSA-N 1 0 381.477 -1.800 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000331528708 1075494078 /nfs/dbraw/zinc/49/40/78/1075494078.db2.gz OOVVZYGEMXMZKY-GASCZTMLSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000331528739 1075494035 /nfs/dbraw/zinc/49/40/35/1075494035.db2.gz OOVVZYGEMXMZKY-GJZGRUSLSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000331528743 1075493972 /nfs/dbraw/zinc/49/39/72/1075493972.db2.gz OOVVZYGEMXMZKY-HUUCEWRRSA-N 1 0 381.477 -1.802 20 0 GAADRO 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C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000331548781 1075494842 /nfs/dbraw/zinc/49/48/42/1075494842.db2.gz RKMULYUGMCNZAO-LSDHHAIUSA-N 1 0 381.477 -1.802 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000331560384 1075495278 /nfs/dbraw/zinc/49/52/78/1075495278.db2.gz SYEXVOAVICXFOX-INIZCTEOSA-N 1 0 382.509 -1.582 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000331560417 1075495175 /nfs/dbraw/zinc/49/51/75/1075495175.db2.gz SYEXVOAVICXFOX-MRXNPFEDSA-N 1 0 382.509 -1.582 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000331560953 1075495241 /nfs/dbraw/zinc/49/52/41/1075495241.db2.gz SZKZBGMWRJPNET-CABCVRRESA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000331560957 1075495165 /nfs/dbraw/zinc/49/51/65/1075495165.db2.gz SZKZBGMWRJPNET-GJZGRUSLSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@H](C)C[NH2+]1 ZINC000331560960 1075495107 /nfs/dbraw/zinc/49/51/07/1075495107.db2.gz SZKZBGMWRJPNET-HUUCEWRRSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331560963 1075495463 /nfs/dbraw/zinc/49/54/63/1075495463.db2.gz SZKZBGMWRJPNET-LSDHHAIUSA-N 1 0 381.477 -1.802 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC[NH2+]1 ZINC000331560996 1075495523 /nfs/dbraw/zinc/49/55/23/1075495523.db2.gz SZYASWKDHHESFY-UHFFFAOYSA-N 1 0 381.477 -1.800 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000331564888 1075495592 /nfs/dbraw/zinc/49/55/92/1075495592.db2.gz UEJPGTHUSBFSJP-UHFFFAOYSA-N 1 0 381.477 -1.800 20 0 GAADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000331566536 1075495557 /nfs/dbraw/zinc/49/55/57/1075495557.db2.gz UPRUGTHFCWOAON-UHFFFAOYSA-N 1 0 381.477 -1.800 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000331567265 1075495535 /nfs/dbraw/zinc/49/55/35/1075495535.db2.gz URWNEBFEMPBOPS-KBPBESRZSA-N 1 0 395.460 -2.275 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000331567267 1075495577 /nfs/dbraw/zinc/49/55/77/1075495577.db2.gz URWNEBFEMPBOPS-OKILXGFUSA-N 1 0 395.460 -2.275 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000331567269 1075495436 /nfs/dbraw/zinc/49/54/36/1075495436.db2.gz URWNEBFEMPBOPS-ZIAGYGMSSA-N 1 0 395.460 -2.275 20 0 GAADRO C[NH+](C)CCn1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000331567604 1075495416 /nfs/dbraw/zinc/49/54/16/1075495416.db2.gz CPRDQFPQQJZTMF-UHFFFAOYSA-N 1 0 393.492 -0.547 20 0 GAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000331569139 1075495499 /nfs/dbraw/zinc/49/54/99/1075495499.db2.gz VBTQJTXRUOOQBK-CYBMUJFWSA-N 1 0 381.433 -2.664 20 0 GAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000331569142 1075495563 /nfs/dbraw/zinc/49/55/63/1075495563.db2.gz VBTQJTXRUOOQBK-ZDUSSCGKSA-N 1 0 381.433 -2.664 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000331569764 1075495872 /nfs/dbraw/zinc/49/58/72/1075495872.db2.gz DEDSHXWKHIXLLH-KBPBESRZSA-N 1 0 379.461 -1.512 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000331569767 1075495857 /nfs/dbraw/zinc/49/58/57/1075495857.db2.gz DEDSHXWKHIXLLH-OKILXGFUSA-N 1 0 379.461 -1.512 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000331569770 1075495837 /nfs/dbraw/zinc/49/58/37/1075495837.db2.gz DEDSHXWKHIXLLH-ZIAGYGMSSA-N 1 0 379.461 -1.512 20 0 GAADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000331574284 1075495931 /nfs/dbraw/zinc/49/59/31/1075495931.db2.gz DXQVMJJBXRMRLR-CYBMUJFWSA-N 1 0 381.433 -2.534 20 0 GAADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000331574287 1075495883 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/nfs/dbraw/zinc/49/58/98/1075495898.db2.gz WZLAOGYECVLGKP-GASCZTMLSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000331581437 1075496248 /nfs/dbraw/zinc/49/62/48/1075496248.db2.gz WZLAOGYECVLGKP-GJZGRUSLSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000331581440 1075496181 /nfs/dbraw/zinc/49/61/81/1075496181.db2.gz WZLAOGYECVLGKP-HUUCEWRRSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331581467 1075496178 /nfs/dbraw/zinc/49/61/78/1075496178.db2.gz JWTNPBMGXRMEIF-CABCVRRESA-N 1 0 381.477 -1.896 20 0 GAADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331581470 1075496172 /nfs/dbraw/zinc/49/61/72/1075496172.db2.gz JWTNPBMGXRMEIF-GJZGRUSLSA-N 1 0 381.477 -1.896 20 0 GAADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331581474 1075496254 /nfs/dbraw/zinc/49/62/54/1075496254.db2.gz JWTNPBMGXRMEIF-HUUCEWRRSA-N 1 0 381.477 -1.896 20 0 GAADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000331581477 1075496200 /nfs/dbraw/zinc/49/62/00/1075496200.db2.gz JWTNPBMGXRMEIF-LSDHHAIUSA-N 1 0 381.477 -1.896 20 0 GAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000331583792 1075496151 /nfs/dbraw/zinc/49/61/51/1075496151.db2.gz XHJQXWOQIPKPKU-HNNXBMFYSA-N 1 0 381.477 -1.800 20 0 GAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000331583796 1075496188 /nfs/dbraw/zinc/49/61/88/1075496188.db2.gz XHJQXWOQIPKPKU-OAHLLOKOSA-N 1 0 381.477 -1.800 20 0 GAADRO C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000331584609 1075496158 /nfs/dbraw/zinc/49/61/58/1075496158.db2.gz GAWRARWQBYFOIS-CABCVRRESA-N 1 0 382.461 -1.639 20 0 GAADRO C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000331584620 1075496131 /nfs/dbraw/zinc/49/61/31/1075496131.db2.gz GAWRARWQBYFOIS-GJZGRUSLSA-N 1 0 382.461 -1.639 20 0 GAADRO C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000331584624 1075496146 /nfs/dbraw/zinc/49/61/46/1075496146.db2.gz GAWRARWQBYFOIS-HUUCEWRRSA-N 1 0 382.461 -1.639 20 0 GAADRO C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000331584630 1075496262 /nfs/dbraw/zinc/49/62/62/1075496262.db2.gz GAWRARWQBYFOIS-LSDHHAIUSA-N 1 0 382.461 -1.639 20 0 GAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000331584980 1075496170 /nfs/dbraw/zinc/49/61/70/1075496170.db2.gz GGJBQGKWNDWJMA-AWEZNQCLSA-N 1 0 379.461 -1.510 20 0 GAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000331584985 1075496195 /nfs/dbraw/zinc/49/61/95/1075496195.db2.gz GGJBQGKWNDWJMA-CQSZACIVSA-N 1 0 379.461 -1.510 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C[C@H](C)[NH2+]1 ZINC000331589181 1075496496 /nfs/dbraw/zinc/49/64/96/1075496496.db2.gz GWLPQRSPFYJGDN-BETUJISGSA-N 1 0 399.473 -1.143 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C[C@@H](C)[NH2+]1 ZINC000331589194 1075496517 /nfs/dbraw/zinc/49/65/17/1075496517.db2.gz GWLPQRSPFYJGDN-CHWSQXEVSA-N 1 0 399.473 -1.143 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C[C@H](C)[NH2+]1 ZINC000331589195 1075496612 /nfs/dbraw/zinc/49/66/12/1075496612.db2.gz GWLPQRSPFYJGDN-STQMWFEESA-N 1 0 399.473 -1.143 20 0 GAADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000331594073 1075496861 /nfs/dbraw/zinc/49/68/61/1075496861.db2.gz HOWGZENXYFYICS-AWEZNQCLSA-N 1 0 379.461 -1.381 20 0 GAADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000331594085 1075496884 /nfs/dbraw/zinc/49/68/84/1075496884.db2.gz HOWGZENXYFYICS-CQSZACIVSA-N 1 0 379.461 -1.381 20 0 GAADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000331595431 1075496872 /nfs/dbraw/zinc/49/68/72/1075496872.db2.gz YUIKYMNAKKIVOG-CYBMUJFWSA-N 1 0 381.433 -2.534 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000331600266 1075496858 /nfs/dbraw/zinc/49/68/58/1075496858.db2.gz ZJEJVOMPXVJXFK-CVEARBPZSA-N 1 0 395.504 -1.567 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000331600271 1075496881 /nfs/dbraw/zinc/49/68/81/1075496881.db2.gz ZJEJVOMPXVJXFK-HOTGVXAUSA-N 1 0 395.504 -1.567 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000331600276 1075496844 /nfs/dbraw/zinc/49/68/44/1075496844.db2.gz ZJEJVOMPXVJXFK-HZPDHXFCSA-N 1 0 395.504 -1.567 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000331600281 1075496909 /nfs/dbraw/zinc/49/69/09/1075496909.db2.gz ZJEJVOMPXVJXFK-JKSUJKDBSA-N 1 0 395.504 -1.567 20 0 GAADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000331600411 1075496937 /nfs/dbraw/zinc/49/69/37/1075496937.db2.gz ZKYQJJPMEQALPV-INIZCTEOSA-N 1 0 395.504 -1.458 20 0 GAADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000331600418 1075496891 /nfs/dbraw/zinc/49/68/91/1075496891.db2.gz ZKYQJJPMEQALPV-MRXNPFEDSA-N 1 0 395.504 -1.458 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[NH2+]1 ZINC000331610423 1075497258 /nfs/dbraw/zinc/49/72/58/1075497258.db2.gz JXRISBSEPWDADC-UHFFFAOYSA-N 1 0 379.461 -1.510 20 0 GAADRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000331627798 1075497676 /nfs/dbraw/zinc/49/76/76/1075497676.db2.gz MVJMRLIGVBGJFA-HNNXBMFYSA-N 1 0 381.477 -1.848 20 0 GAADRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000331627801 1075497687 /nfs/dbraw/zinc/49/76/87/1075497687.db2.gz MVJMRLIGVBGJFA-OAHLLOKOSA-N 1 0 381.477 -1.848 20 0 GAADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)c(C)o1 ZINC000331633962 1075497663 /nfs/dbraw/zinc/49/76/63/1075497663.db2.gz IIQQBMHPWSVYOM-GJZGRUSLSA-N 1 0 378.429 -1.028 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)[C@H](C)C[NH2+]1 ZINC000331637281 1075497653 /nfs/dbraw/zinc/49/76/53/1075497653.db2.gz OMQHRHZMMSZIBR-CHWSQXEVSA-N 1 0 399.473 -1.143 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)[C@@H](C)C[NH2+]1 ZINC000331637283 1075497681 /nfs/dbraw/zinc/49/76/81/1075497681.db2.gz OMQHRHZMMSZIBR-OLZOCXBDSA-N 1 0 399.473 -1.143 20 0 GAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000331637285 1075497670 /nfs/dbraw/zinc/49/76/70/1075497670.db2.gz OMQHRHZMMSZIBR-QWHCGFSZSA-N 1 0 399.473 -1.143 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)[C@@H](C)C[NH2+]1 ZINC000331637286 1075497648 /nfs/dbraw/zinc/49/76/48/1075497648.db2.gz OMQHRHZMMSZIBR-STQMWFEESA-N 1 0 399.473 -1.143 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@H](CO)O1 ZINC000331640864 1075498033 /nfs/dbraw/zinc/49/80/33/1075498033.db2.gz PIKISFXRBWDCAH-HNNXBMFYSA-N 1 0 396.488 -1.249 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](CO)O1 ZINC000331640866 1075497960 /nfs/dbraw/zinc/49/79/60/1075497960.db2.gz PIKISFXRBWDCAH-OAHLLOKOSA-N 1 0 396.488 -1.249 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000331643926 1075498025 /nfs/dbraw/zinc/49/80/25/1075498025.db2.gz PXOADRAVFQRLGI-KBPBESRZSA-N 1 0 379.461 -1.512 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000331643930 1075498062 /nfs/dbraw/zinc/49/80/62/1075498062.db2.gz PXOADRAVFQRLGI-KGLIPLIRSA-N 1 0 379.461 -1.512 20 0 GAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000331643934 1075497999 /nfs/dbraw/zinc/49/79/99/1075497999.db2.gz PXOADRAVFQRLGI-UONOGXRCSA-N 1 0 379.461 -1.512 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H](C)C[NH2+]1 ZINC000331643938 1075498055 /nfs/dbraw/zinc/49/80/55/1075498055.db2.gz PXOADRAVFQRLGI-ZIAGYGMSSA-N 1 0 379.461 -1.512 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000331654956 1075498355 /nfs/dbraw/zinc/49/83/55/1075498355.db2.gz SETZIAIZPOQBHE-CABCVRRESA-N 1 0 393.488 -1.277 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000331655043 1075498352 /nfs/dbraw/zinc/49/83/52/1075498352.db2.gz SETZIAIZPOQBHE-GJZGRUSLSA-N 1 0 393.488 -1.277 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000331655049 1075498310 /nfs/dbraw/zinc/49/83/10/1075498310.db2.gz SETZIAIZPOQBHE-HUUCEWRRSA-N 1 0 393.488 -1.277 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000331655053 1075498315 /nfs/dbraw/zinc/49/83/15/1075498315.db2.gz SETZIAIZPOQBHE-LSDHHAIUSA-N 1 0 393.488 -1.277 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000331657929 1075498346 /nfs/dbraw/zinc/49/83/46/1075498346.db2.gz SXQQHIJEMWGUSI-CVEARBPZSA-N 1 0 395.504 -1.602 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1[NH+](C)C ZINC000331657964 1075498287 /nfs/dbraw/zinc/49/82/87/1075498287.db2.gz SXQQHIJEMWGUSI-HOTGVXAUSA-N 1 0 395.504 -1.602 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000331657969 1075498291 /nfs/dbraw/zinc/49/82/91/1075498291.db2.gz SXQQHIJEMWGUSI-HZPDHXFCSA-N 1 0 395.504 -1.602 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1[NH+](C)C ZINC000331657973 1075498363 /nfs/dbraw/zinc/49/83/63/1075498363.db2.gz SXQQHIJEMWGUSI-JKSUJKDBSA-N 1 0 395.504 -1.602 20 0 GAADRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000331661283 1075498673 /nfs/dbraw/zinc/49/86/73/1075498673.db2.gz UNSZGQAZBAWXKK-AWEZNQCLSA-N 1 0 395.460 -2.322 20 0 GAADRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000331661293 1075498733 /nfs/dbraw/zinc/49/87/33/1075498733.db2.gz UNSZGQAZBAWXKK-CQSZACIVSA-N 1 0 395.460 -2.322 20 0 GAADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000331661643 1075498772 /nfs/dbraw/zinc/49/87/72/1075498772.db2.gz NJSSZPGUYMGMAW-LLVKDONJSA-N 1 0 377.367 -1.317 20 0 GAADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000331661648 1075498729 /nfs/dbraw/zinc/49/87/29/1075498729.db2.gz NJSSZPGUYMGMAW-NSHDSACASA-N 1 0 377.367 -1.317 20 0 GAADRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000331664310 1075498740 /nfs/dbraw/zinc/49/87/40/1075498740.db2.gz VBEHQHDPXAGXON-HNNXBMFYSA-N 1 0 381.477 -1.848 20 0 GAADRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000331664312 1075498711 /nfs/dbraw/zinc/49/87/11/1075498711.db2.gz VBEHQHDPXAGXON-OAHLLOKOSA-N 1 0 381.477 -1.848 20 0 GAADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000331680479 1075498735 /nfs/dbraw/zinc/49/87/35/1075498735.db2.gz ZAUYXACSAMAGRB-HNNXBMFYSA-N 1 0 393.488 -1.168 20 0 GAADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000331680480 1075498718 /nfs/dbraw/zinc/49/87/18/1075498718.db2.gz ZAUYXACSAMAGRB-OAHLLOKOSA-N 1 0 393.488 -1.168 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC[NH2+]1 ZINC000331681273 1075499172 /nfs/dbraw/zinc/49/91/72/1075499172.db2.gz ZHPJLJFDVPWHRJ-UHFFFAOYSA-N 1 0 399.473 -1.141 20 0 GAADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000331726462 1075499005 /nfs/dbraw/zinc/49/90/05/1075499005.db2.gz NPKCHIZMDKVOOM-LLVKDONJSA-N 1 0 384.462 -1.553 20 0 GAADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000331726463 1075499162 /nfs/dbraw/zinc/49/91/62/1075499162.db2.gz NPKCHIZMDKVOOM-NSHDSACASA-N 1 0 384.462 -1.553 20 0 GAADRO CCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@H](C)C1=O ZINC000331756103 1075499145 /nfs/dbraw/zinc/49/91/45/1075499145.db2.gz ACXVURDFFAFIST-CABCVRRESA-N 1 0 393.488 -1.264 20 0 GAADRO CCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@@H](C)C1=O ZINC000331756119 1075499046 /nfs/dbraw/zinc/49/90/46/1075499046.db2.gz ACXVURDFFAFIST-GJZGRUSLSA-N 1 0 393.488 -1.264 20 0 GAADRO CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[C@H](C)C1=O ZINC000331756123 1075499060 /nfs/dbraw/zinc/49/90/60/1075499060.db2.gz ACXVURDFFAFIST-HUUCEWRRSA-N 1 0 393.488 -1.264 20 0 GAADRO CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[C@@H](C)C1=O ZINC000331756127 1075499092 /nfs/dbraw/zinc/49/90/92/1075499092.db2.gz ACXVURDFFAFIST-LSDHHAIUSA-N 1 0 393.488 -1.264 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@H]1[NH3+] ZINC000331761763 1075499099 /nfs/dbraw/zinc/49/90/99/1075499099.db2.gz FCEXVZWFTZYQKZ-HZSPNIEDSA-N 1 0 388.490 -1.555 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H]1[NH3+] ZINC000331761764 1075499127 /nfs/dbraw/zinc/49/91/27/1075499127.db2.gz FCEXVZWFTZYQKZ-MCIONIFRSA-N 1 0 388.490 -1.555 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@H]1[NH3+] ZINC000331761765 1075499119 /nfs/dbraw/zinc/49/91/19/1075499119.db2.gz FCEXVZWFTZYQKZ-MGPQQGTHSA-N 1 0 388.490 -1.555 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H]1[NH3+] ZINC000331761766 1075499124 /nfs/dbraw/zinc/49/91/24/1075499124.db2.gz FCEXVZWFTZYQKZ-RDBSUJKOSA-N 1 0 388.490 -1.555 20 0 GAADRO CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H]1OC ZINC000331776527 1075499424 /nfs/dbraw/zinc/49/94/24/1075499424.db2.gz JSUMEIVMXOZXLV-KFWWJZLASA-N 1 0 382.461 -1.471 20 0 GAADRO CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H]1OC ZINC000331776530 1075499458 /nfs/dbraw/zinc/49/94/58/1075499458.db2.gz JSUMEIVMXOZXLV-RBSFLKMASA-N 1 0 382.461 -1.471 20 0 GAADRO CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H]1OC ZINC000331776532 1075499413 /nfs/dbraw/zinc/49/94/13/1075499413.db2.gz JSUMEIVMXOZXLV-RRFJBIMHSA-N 1 0 382.461 -1.471 20 0 GAADRO CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H]1OC ZINC000331776534 1075499479 /nfs/dbraw/zinc/49/94/79/1075499479.db2.gz JSUMEIVMXOZXLV-SOUVJXGZSA-N 1 0 382.461 -1.471 20 0 GAADRO COC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000331781183 1075499380 /nfs/dbraw/zinc/49/93/80/1075499380.db2.gz HSPOAEOIOYIBAS-JYJNAYRXSA-N 1 0 396.488 -1.081 20 0 GAADRO COC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000331781191 1075499466 /nfs/dbraw/zinc/49/94/66/1075499466.db2.gz HSPOAEOIOYIBAS-OAGGEKHMSA-N 1 0 396.488 -1.081 20 0 GAADRO COC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000331781193 1075499401 /nfs/dbraw/zinc/49/94/01/1075499401.db2.gz HSPOAEOIOYIBAS-PMPSAXMXSA-N 1 0 396.488 -1.081 20 0 GAADRO COC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000331781195 1075499499 /nfs/dbraw/zinc/49/94/99/1075499499.db2.gz HSPOAEOIOYIBAS-XHSDSOJGSA-N 1 0 396.488 -1.081 20 0 GAADRO CCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1=O ZINC000331781951 1075499471 /nfs/dbraw/zinc/49/94/71/1075499471.db2.gz HVZYBUKCUAARGP-AWEZNQCLSA-N 1 0 379.461 -1.653 20 0 GAADRO CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1=O ZINC000331781959 1075499441 /nfs/dbraw/zinc/49/94/41/1075499441.db2.gz HVZYBUKCUAARGP-CQSZACIVSA-N 1 0 379.461 -1.653 20 0 GAADRO C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000331795387 1075499805 /nfs/dbraw/zinc/49/98/05/1075499805.db2.gz LADDAYCHGNTXMT-HOTGVXAUSA-N 1 0 395.504 -1.818 20 0 GAADRO C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000331795391 1075499819 /nfs/dbraw/zinc/49/98/19/1075499819.db2.gz LADDAYCHGNTXMT-JKSUJKDBSA-N 1 0 395.504 -1.818 20 0 GAADRO O=C(C(=O)N1CCSC[C@@H]1CCO)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331798035 1075499852 /nfs/dbraw/zinc/49/98/52/1075499852.db2.gz LTWARMUAGKKJLZ-CABCVRRESA-N 1 0 398.529 -1.017 20 0 GAADRO O=C(C(=O)N1CCSC[C@@H]1CCO)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331798062 1075499915 /nfs/dbraw/zinc/49/99/15/1075499915.db2.gz LTWARMUAGKKJLZ-GJZGRUSLSA-N 1 0 398.529 -1.017 20 0 GAADRO O=C(C(=O)N1CCSC[C@H]1CCO)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331798067 1075499895 /nfs/dbraw/zinc/49/98/95/1075499895.db2.gz LTWARMUAGKKJLZ-HUUCEWRRSA-N 1 0 398.529 -1.017 20 0 GAADRO O=C(C(=O)N1CCSC[C@H]1CCO)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331798075 1075499911 /nfs/dbraw/zinc/49/99/11/1075499911.db2.gz LTWARMUAGKKJLZ-LSDHHAIUSA-N 1 0 398.529 -1.017 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000331802136 1075499904 /nfs/dbraw/zinc/49/99/04/1075499904.db2.gz MIVVFWAZRPCZAN-KBPBESRZSA-N 1 0 388.490 -1.540 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000331802139 1075499889 /nfs/dbraw/zinc/49/98/89/1075499889.db2.gz MIVVFWAZRPCZAN-KGLIPLIRSA-N 1 0 388.490 -1.540 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000331802142 1075500269 /nfs/dbraw/zinc/50/02/69/1075500269.db2.gz MIVVFWAZRPCZAN-UONOGXRCSA-N 1 0 388.490 -1.540 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]1 ZINC000331802143 1075500217 /nfs/dbraw/zinc/50/02/17/1075500217.db2.gz MIVVFWAZRPCZAN-ZIAGYGMSSA-N 1 0 388.490 -1.540 20 0 GAADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331811785 1075500135 /nfs/dbraw/zinc/50/01/35/1075500135.db2.gz OCOOYHWTFKPVNI-ARFHVFGLSA-N 1 0 396.488 -1.345 20 0 GAADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331811787 1075500192 /nfs/dbraw/zinc/50/01/92/1075500192.db2.gz OCOOYHWTFKPVNI-HRCADAONSA-N 1 0 396.488 -1.345 20 0 GAADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331811788 1075500116 /nfs/dbraw/zinc/50/01/16/1075500116.db2.gz OCOOYHWTFKPVNI-JYJNAYRXSA-N 1 0 396.488 -1.345 20 0 GAADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331811789 1075500179 /nfs/dbraw/zinc/50/01/79/1075500179.db2.gz OCOOYHWTFKPVNI-XHSDSOJGSA-N 1 0 396.488 -1.345 20 0 GAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331818729 1075500247 /nfs/dbraw/zinc/50/02/47/1075500247.db2.gz PMBNXONNVXEWAP-KBPBESRZSA-N 1 0 388.490 -1.540 20 0 GAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331818732 1075500083 /nfs/dbraw/zinc/50/00/83/1075500083.db2.gz PMBNXONNVXEWAP-KGLIPLIRSA-N 1 0 388.490 -1.540 20 0 GAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331818734 1075500100 /nfs/dbraw/zinc/50/01/00/1075500100.db2.gz PMBNXONNVXEWAP-UONOGXRCSA-N 1 0 388.490 -1.540 20 0 GAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331818736 1075500237 /nfs/dbraw/zinc/50/02/37/1075500237.db2.gz PMBNXONNVXEWAP-ZIAGYGMSSA-N 1 0 388.490 -1.540 20 0 GAADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000331825758 1075500151 /nfs/dbraw/zinc/50/01/51/1075500151.db2.gz QZHIHZAHQVWAFT-KGLIPLIRSA-N 1 0 388.490 -1.411 20 0 GAADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000331825763 1075500226 /nfs/dbraw/zinc/50/02/26/1075500226.db2.gz QZHIHZAHQVWAFT-ZIAGYGMSSA-N 1 0 388.490 -1.411 20 0 GAADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331834322 1075500165 /nfs/dbraw/zinc/50/01/65/1075500165.db2.gz YMJQXEOTJOPRIE-KBPBESRZSA-N 1 0 388.490 -1.411 20 0 GAADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331834327 1075500209 /nfs/dbraw/zinc/50/02/09/1075500209.db2.gz YMJQXEOTJOPRIE-KGLIPLIRSA-N 1 0 388.490 -1.411 20 0 GAADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331834331 1075500537 /nfs/dbraw/zinc/50/05/37/1075500537.db2.gz YMJQXEOTJOPRIE-UONOGXRCSA-N 1 0 388.490 -1.411 20 0 GAADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331834335 1075500585 /nfs/dbraw/zinc/50/05/85/1075500585.db2.gz YMJQXEOTJOPRIE-ZIAGYGMSSA-N 1 0 388.490 -1.411 20 0 GAADRO CN1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCC1=O ZINC000331845181 1075500516 /nfs/dbraw/zinc/50/05/16/1075500516.db2.gz FPSYQUWXJHXDEW-KBPBESRZSA-N 1 0 379.461 -1.512 20 0 GAADRO CN1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCC1=O ZINC000331845185 1075500492 /nfs/dbraw/zinc/50/04/92/1075500492.db2.gz FPSYQUWXJHXDEW-KGLIPLIRSA-N 1 0 379.461 -1.512 20 0 GAADRO CN1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCC1=O ZINC000331845188 1075500555 /nfs/dbraw/zinc/50/05/55/1075500555.db2.gz FPSYQUWXJHXDEW-UONOGXRCSA-N 1 0 379.461 -1.512 20 0 GAADRO CN1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCC1=O ZINC000331845193 1075500474 /nfs/dbraw/zinc/50/04/74/1075500474.db2.gz FPSYQUWXJHXDEW-ZIAGYGMSSA-N 1 0 379.461 -1.512 20 0 GAADRO CC(C)N1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1=O ZINC000331871999 1075500873 /nfs/dbraw/zinc/50/08/73/1075500873.db2.gz ZQZSPHNQUNLVAW-HNNXBMFYSA-N 1 0 393.488 -1.264 20 0 GAADRO CC(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1=O ZINC000331872005 1075500756 /nfs/dbraw/zinc/50/07/56/1075500756.db2.gz ZQZSPHNQUNLVAW-OAHLLOKOSA-N 1 0 393.488 -1.264 20 0 GAADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331880446 1075501240 /nfs/dbraw/zinc/50/12/40/1075501240.db2.gz VCMZJLOKUDPRJG-AUUYWEPGSA-N 1 0 393.488 -1.264 20 0 GAADRO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331880451 1075501223 /nfs/dbraw/zinc/50/12/23/1075501223.db2.gz VCMZJLOKUDPRJG-IFXJQAMLSA-N 1 0 393.488 -1.264 20 0 GAADRO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331880454 1075501206 /nfs/dbraw/zinc/50/12/06/1075501206.db2.gz VCMZJLOKUDPRJG-KUHUBIRLSA-N 1 0 393.488 -1.264 20 0 GAADRO 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C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000419039258 1073962154 /nfs/dbraw/zinc/96/21/54/1073962154.db2.gz VQTLXAZYLFLEHJ-IHRRRGAJSA-N 1 0 390.506 -1.152 20 0 GAADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000419039259 1073962162 /nfs/dbraw/zinc/96/21/62/1073962162.db2.gz VQTLXAZYLFLEHJ-MELADBBJSA-N 1 0 390.506 -1.152 20 0 GAADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000419039260 1073962223 /nfs/dbraw/zinc/96/22/23/1073962223.db2.gz VQTLXAZYLFLEHJ-MJBXVCDLSA-N 1 0 390.506 -1.152 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419040385 1073962216 /nfs/dbraw/zinc/96/22/16/1073962216.db2.gz XHGGCUFYYXYTKP-KBPBESRZSA-N 1 0 390.506 -1.151 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419040389 1073962112 /nfs/dbraw/zinc/96/21/12/1073962112.db2.gz XHGGCUFYYXYTKP-KGLIPLIRSA-N 1 0 390.506 -1.151 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419040391 1073962194 /nfs/dbraw/zinc/96/21/94/1073962194.db2.gz XHGGCUFYYXYTKP-UONOGXRCSA-N 1 0 390.506 -1.151 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419040392 1073962185 /nfs/dbraw/zinc/96/21/85/1073962185.db2.gz XHGGCUFYYXYTKP-ZIAGYGMSSA-N 1 0 390.506 -1.151 20 0 GAADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000419040831 1073962703 /nfs/dbraw/zinc/96/27/03/1073962703.db2.gz YAPQZGPAIZCTPZ-KBPBESRZSA-N 1 0 390.506 -1.069 20 0 GAADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000419040839 1073962675 /nfs/dbraw/zinc/96/26/75/1073962675.db2.gz YAPQZGPAIZCTPZ-KGLIPLIRSA-N 1 0 390.506 -1.069 20 0 GAADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000419040841 1073962592 /nfs/dbraw/zinc/96/25/92/1073962592.db2.gz YAPQZGPAIZCTPZ-UONOGXRCSA-N 1 0 390.506 -1.069 20 0 GAADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000419040885 1073962566 /nfs/dbraw/zinc/96/25/66/1073962566.db2.gz YAPQZGPAIZCTPZ-ZIAGYGMSSA-N 1 0 390.506 -1.069 20 0 GAADRO CC1(C)CN(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC[NH2+]1 ZINC000419041129 1073962682 /nfs/dbraw/zinc/96/26/82/1073962682.db2.gz YMWZZNLLPPEGPI-CYBMUJFWSA-N 1 0 390.506 -1.199 20 0 GAADRO CC1(C)CN(C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC[NH2+]1 ZINC000419041131 1073962664 /nfs/dbraw/zinc/96/26/64/1073962664.db2.gz YMWZZNLLPPEGPI-ZDUSSCGKSA-N 1 0 390.506 -1.199 20 0 GAADRO CN(C(=O)C(=O)NCCCCN1C(=O)c2ccccc2C1=O)[C@H]1C[NH2+]C[C@@H]1O ZINC000419045004 1073962691 /nfs/dbraw/zinc/96/26/91/1073962691.db2.gz MOORMULATPBICI-GJZGRUSLSA-N 1 0 388.424 -1.030 20 0 GAADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1=O ZINC000419062781 1073964175 /nfs/dbraw/zinc/96/41/75/1073964175.db2.gz NBEGYCKGXKBENS-AWEZNQCLSA-N 1 0 389.456 -1.062 20 0 GAADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1=O ZINC000419062782 1073964136 /nfs/dbraw/zinc/96/41/36/1073964136.db2.gz NBEGYCKGXKBENS-CQSZACIVSA-N 1 0 389.456 -1.062 20 0 GAADRO CC(C)N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000419075806 1073965317 /nfs/dbraw/zinc/96/53/17/1073965317.db2.gz GHOJELOUNZKVMD-CABCVRRESA-N 1 0 393.488 -1.218 20 0 GAADRO CC(C)N1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000419075810 1073965352 /nfs/dbraw/zinc/96/53/52/1073965352.db2.gz GHOJELOUNZKVMD-GJZGRUSLSA-N 1 0 393.488 -1.218 20 0 GAADRO CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000419075811 1073965463 /nfs/dbraw/zinc/96/54/63/1073965463.db2.gz GHOJELOUNZKVMD-HUUCEWRRSA-N 1 0 393.488 -1.218 20 0 GAADRO CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000419075812 1073965330 /nfs/dbraw/zinc/96/53/30/1073965330.db2.gz GHOJELOUNZKVMD-LSDHHAIUSA-N 1 0 393.488 -1.218 20 0 GAADRO CC(C)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000419078301 1073965986 /nfs/dbraw/zinc/96/59/86/1073965986.db2.gz KXBMQUBEAPRCHL-KBPBESRZSA-N 1 0 381.477 -1.042 20 0 GAADRO CC(C)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000419078319 1073966027 /nfs/dbraw/zinc/96/60/27/1073966027.db2.gz KXBMQUBEAPRCHL-KGLIPLIRSA-N 1 0 381.477 -1.042 20 0 GAADRO CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000419078321 1073966122 /nfs/dbraw/zinc/96/61/22/1073966122.db2.gz KXBMQUBEAPRCHL-UONOGXRCSA-N 1 0 381.477 -1.042 20 0 GAADRO CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000419078323 1073966108 /nfs/dbraw/zinc/96/61/08/1073966108.db2.gz KXBMQUBEAPRCHL-ZIAGYGMSSA-N 1 0 381.477 -1.042 20 0 GAADRO CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419109832 1073967697 /nfs/dbraw/zinc/96/76/97/1073967697.db2.gz NGLJDRZQNWWNDE-AWEZNQCLSA-N 1 0 395.504 -1.065 20 0 GAADRO CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419109836 1073967751 /nfs/dbraw/zinc/96/77/51/1073967751.db2.gz NGLJDRZQNWWNDE-CQSZACIVSA-N 1 0 395.504 -1.065 20 0 GAADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2=O)c1 ZINC000419111414 1073968191 /nfs/dbraw/zinc/96/81/91/1073968191.db2.gz OQBUMTJZGMPNFB-HNNXBMFYSA-N 1 0 394.428 -1.295 20 0 GAADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2=O)c1 ZINC000419111415 1073968275 /nfs/dbraw/zinc/96/82/75/1073968275.db2.gz OQBUMTJZGMPNFB-OAHLLOKOSA-N 1 0 394.428 -1.295 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCOCC1 ZINC000419115088 1073968647 /nfs/dbraw/zinc/96/86/47/1073968647.db2.gz JIECNOYWBZKRHI-CVEARBPZSA-N 1 0 397.520 -1.227 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCOCC1 ZINC000419115089 1073968745 /nfs/dbraw/zinc/96/87/45/1073968745.db2.gz JIECNOYWBZKRHI-HOTGVXAUSA-N 1 0 397.520 -1.227 20 0 GAADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCOCC1 ZINC000419115090 1073968797 /nfs/dbraw/zinc/96/87/97/1073968797.db2.gz JIECNOYWBZKRHI-HZPDHXFCSA-N 1 0 397.520 -1.227 20 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C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419140848 1073970477 /nfs/dbraw/zinc/97/04/77/1073970477.db2.gz WISBGPANJKFEDA-JKSUJKDBSA-N 1 0 390.488 -1.106 20 0 GAADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419141363 1073970345 /nfs/dbraw/zinc/97/03/45/1073970345.db2.gz XAKYGHGNLHTHFK-HNNXBMFYSA-N 1 0 378.477 -1.512 20 0 GAADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419141364 1073970380 /nfs/dbraw/zinc/97/03/80/1073970380.db2.gz XAKYGHGNLHTHFK-OAHLLOKOSA-N 1 0 378.477 -1.512 20 0 GAADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000419144978 530110081 /nfs/dbraw/zinc/11/00/81/530110081.db2.gz HIKYSZHCHPPXRH-GFCCVEGCSA-N 1 0 375.495 -2.111 20 0 GAADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000419144979 530110072 /nfs/dbraw/zinc/11/00/72/530110072.db2.gz HIKYSZHCHPPXRH-LBPRGKRZSA-N 1 0 375.495 -2.111 20 0 GAADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000419147536 530110211 /nfs/dbraw/zinc/11/02/11/530110211.db2.gz JABDSRYHYVEBTG-QJPTWQEYSA-N 1 0 376.479 -1.244 20 0 GAADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000419147554 530110041 /nfs/dbraw/zinc/11/00/41/530110041.db2.gz JABDSRYHYVEBTG-SDDRHHMPSA-N 1 0 376.479 -1.244 20 0 GAADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000419147557 530110027 /nfs/dbraw/zinc/11/00/27/530110027.db2.gz JABDSRYHYVEBTG-SRVKXCTJSA-N 1 0 376.479 -1.244 20 0 GAADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000419147562 530110251 /nfs/dbraw/zinc/11/02/51/530110251.db2.gz JABDSRYHYVEBTG-TUAOUCFPSA-N 1 0 376.479 -1.244 20 0 GAADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)s1 ZINC000419147775 530110148 /nfs/dbraw/zinc/11/01/48/530110148.db2.gz IIVLUFKIFPMEKG-LLVKDONJSA-N 1 0 390.487 -1.363 20 0 GAADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)s1 ZINC000419147776 530110250 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1 0 389.456 -1.302 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419846937 1074011502 /nfs/dbraw/zinc/01/15/02/1074011502.db2.gz SFQYNMFHIUTWDY-CABCVRRESA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419846938 1074011493 /nfs/dbraw/zinc/01/14/93/1074011493.db2.gz SFQYNMFHIUTWDY-GJZGRUSLSA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419846939 1074011392 /nfs/dbraw/zinc/01/13/92/1074011392.db2.gz SFQYNMFHIUTWDY-HUUCEWRRSA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419846940 1074011308 /nfs/dbraw/zinc/01/13/08/1074011308.db2.gz SFQYNMFHIUTWDY-LSDHHAIUSA-N 1 0 381.477 -1.754 20 0 GAADRO COCCN1CCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1=O ZINC000419847134 1074011331 /nfs/dbraw/zinc/01/13/31/1074011331.db2.gz IAOFJUJOIWGYNR-UHFFFAOYSA-N 1 0 377.445 -1.005 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419847251 1074011482 /nfs/dbraw/zinc/01/14/82/1074011482.db2.gz QZOVVNBSAQWSPX-HNNXBMFYSA-N 1 0 395.504 -1.364 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419847253 1074011288 /nfs/dbraw/zinc/01/12/88/1074011288.db2.gz QZOVVNBSAQWSPX-OAHLLOKOSA-N 1 0 395.504 -1.364 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419847934 1074010586 /nfs/dbraw/zinc/01/05/86/1074010586.db2.gz UNPGMQNRLDYJHT-AWEZNQCLSA-N 1 0 390.506 -1.246 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419847935 1074010678 /nfs/dbraw/zinc/01/06/78/1074010678.db2.gz UNPGMQNRLDYJHT-CQSZACIVSA-N 1 0 390.506 -1.246 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419848881 530110662 /nfs/dbraw/zinc/11/06/62/530110662.db2.gz XIEZUKLARHOPME-CYBMUJFWSA-N 1 0 376.479 -1.635 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419848882 530110649 /nfs/dbraw/zinc/11/06/49/530110649.db2.gz XIEZUKLARHOPME-ZDUSSCGKSA-N 1 0 376.479 -1.635 20 0 GAADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000419849278 1074010733 /nfs/dbraw/zinc/01/07/33/1074010733.db2.gz XIVZGXUNFYVIRS-UHFFFAOYSA-N 1 0 397.501 -1.031 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)no1 ZINC000419849897 1074010724 /nfs/dbraw/zinc/01/07/24/1074010724.db2.gz ZYEKGXLSNFEDRH-UHFFFAOYSA-N 1 0 392.460 -0.676 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419850423 1074010573 /nfs/dbraw/zinc/01/05/73/1074010573.db2.gz GEXMGWWNETWTPZ-UHFFFAOYSA-N 1 0 390.506 -1.245 20 0 GAADRO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419851452 1074011344 /nfs/dbraw/zinc/01/13/44/1074011344.db2.gz IXTLIRJBDKXZJU-UHFFFAOYSA-N 1 0 381.477 -1.752 20 0 GAADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000419852717 1074011298 /nfs/dbraw/zinc/01/12/98/1074011298.db2.gz RFWZRKBQILJUHU-UHFFFAOYSA-N 1 0 389.522 -1.023 20 0 GAADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000419857088 1074011320 /nfs/dbraw/zinc/01/13/20/1074011320.db2.gz UKZDDUNUHPFLGE-UHFFFAOYSA-N 1 0 387.440 -1.190 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419858047 530110714 /nfs/dbraw/zinc/11/07/14/530110714.db2.gz HJSACLCRUQMIRK-CYBMUJFWSA-N 1 0 376.479 -1.650 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419858049 530110669 /nfs/dbraw/zinc/11/06/69/530110669.db2.gz HJSACLCRUQMIRK-ZDUSSCGKSA-N 1 0 376.479 -1.650 20 0 GAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419859899 1074011459 /nfs/dbraw/zinc/01/14/59/1074011459.db2.gz BFCYJEQFJYWRLS-UHFFFAOYSA-N 1 0 396.536 -1.590 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419860585 1074011472 /nfs/dbraw/zinc/01/14/72/1074011472.db2.gz LCLKCXZQCSEYCS-DZGCQCFKSA-N 1 0 381.477 -1.769 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419860588 1074011357 /nfs/dbraw/zinc/01/13/57/1074011357.db2.gz LCLKCXZQCSEYCS-HIFRSBDPSA-N 1 0 381.477 -1.769 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419860590 1074011368 /nfs/dbraw/zinc/01/13/68/1074011368.db2.gz LCLKCXZQCSEYCS-UKRRQHHQSA-N 1 0 381.477 -1.769 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419860592 1074011717 /nfs/dbraw/zinc/01/17/17/1074011717.db2.gz LCLKCXZQCSEYCS-ZFWWWQNUSA-N 1 0 381.477 -1.769 20 0 GAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419861474 1074011788 /nfs/dbraw/zinc/01/17/88/1074011788.db2.gz FASBSZICJBDPSF-HNNXBMFYSA-N 1 0 382.509 -1.933 20 0 GAADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419861475 1074011822 /nfs/dbraw/zinc/01/18/22/1074011822.db2.gz FASBSZICJBDPSF-OAHLLOKOSA-N 1 0 382.509 -1.933 20 0 GAADRO COC(=O)[C@]12CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)C[C@H]1COCC2 ZINC000419862534 1075845733 /nfs/dbraw/zinc/84/57/33/1075845733.db2.gz GUGHFXUZXYSRID-KBXCAEBGSA-N 1 0 382.461 -1.564 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419862685 530110597 /nfs/dbraw/zinc/11/05/97/530110597.db2.gz NCBKBANBFOGGRZ-CYBMUJFWSA-N 1 0 376.479 -1.637 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419862686 530110658 /nfs/dbraw/zinc/11/06/58/530110658.db2.gz NCBKBANBFOGGRZ-ZDUSSCGKSA-N 1 0 376.479 -1.637 20 0 GAADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419864379 1074011744 /nfs/dbraw/zinc/01/17/44/1074011744.db2.gz IQIXDAJLFABUQI-UHFFFAOYSA-N 1 0 396.536 -1.590 20 0 GAADRO COc1cc(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)ncn1 ZINC000419866349 1074011916 /nfs/dbraw/zinc/01/19/16/1074011916.db2.gz KJTVBNQUXBOWII-UHFFFAOYSA-N 1 0 377.449 -1.845 20 0 GAADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419867945 1074011975 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20 0 GAADRO C[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000419896720 1074013403 /nfs/dbraw/zinc/01/34/03/1074013403.db2.gz NOJMQKIVMMZQOE-UHFFFAOYSA-N 1 0 384.458 -1.136 20 0 GAADRO COc1ccc(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)nc1 ZINC000419896993 1074013513 /nfs/dbraw/zinc/01/35/13/1074013513.db2.gz YMAYUWOMEDMQIB-UHFFFAOYSA-N 1 0 376.461 -1.240 20 0 GAADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000419897605 1074013549 /nfs/dbraw/zinc/01/35/49/1074013549.db2.gz ABYMXFANXDLAKA-HNNXBMFYSA-N 1 0 383.493 -1.506 20 0 GAADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000419897606 1074013460 /nfs/dbraw/zinc/01/34/60/1074013460.db2.gz ABYMXFANXDLAKA-OAHLLOKOSA-N 1 0 383.493 -1.506 20 0 GAADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000419897813 1074013349 /nfs/dbraw/zinc/01/33/49/1074013349.db2.gz WGMYHAKKEKHVNU-UHFFFAOYSA-N 1 0 390.510 -2.652 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419899332 1074013393 /nfs/dbraw/zinc/01/33/93/1074013393.db2.gz YOKHZDURAWDQPD-AWEZNQCLSA-N 1 0 390.506 -1.246 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419899334 1074013501 /nfs/dbraw/zinc/01/35/01/1074013501.db2.gz YOKHZDURAWDQPD-CQSZACIVSA-N 1 0 390.506 -1.246 20 0 GAADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000419899600 1074013434 /nfs/dbraw/zinc/01/34/34/1074013434.db2.gz ZDOUIUJUYDOYHK-UHFFFAOYSA-N 1 0 397.501 -1.031 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419906108 1074013309 /nfs/dbraw/zinc/01/33/09/1074013309.db2.gz ZTBVAPIIHICJGT-CABCVRRESA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419906110 1074013445 /nfs/dbraw/zinc/01/34/45/1074013445.db2.gz ZTBVAPIIHICJGT-GJZGRUSLSA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419906112 1074013321 /nfs/dbraw/zinc/01/33/21/1074013321.db2.gz 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CCC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000419912905 1074013859 /nfs/dbraw/zinc/01/38/59/1074013859.db2.gz XYWOPDDWVSDAPC-UHFFFAOYSA-N 1 0 391.494 -2.177 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000419923046 1074013772 /nfs/dbraw/zinc/01/37/72/1074013772.db2.gz APIJBVIYGUMTMP-AWEZNQCLSA-N 1 0 392.522 -1.143 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000419923050 1074013828 /nfs/dbraw/zinc/01/38/28/1074013828.db2.gz APIJBVIYGUMTMP-CQSZACIVSA-N 1 0 392.522 -1.143 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000419933723 1074014409 /nfs/dbraw/zinc/01/44/09/1074014409.db2.gz FTHBLFUPSDWZHF-GFCCVEGCSA-N 1 0 380.449 -0.963 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000419933725 1074875941 /nfs/dbraw/zinc/87/59/41/1074875941.db2.gz FTHBLFUPSDWZHF-LBPRGKRZSA-N 1 0 380.449 -0.963 20 0 GAADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000419936079 530110623 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QGRXCQHCOGCTRZ-OAHLLOKOSA-N 1 0 381.477 -1.752 20 0 GAADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000419938916 1074014125 /nfs/dbraw/zinc/01/41/25/1074014125.db2.gz XUIIVAHTTKSLLC-HNNXBMFYSA-N 1 0 387.440 -1.248 20 0 GAADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000419938917 1074014303 /nfs/dbraw/zinc/01/43/03/1074014303.db2.gz XUIIVAHTTKSLLC-OAHLLOKOSA-N 1 0 387.440 -1.248 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)no1 ZINC000419939971 1074014290 /nfs/dbraw/zinc/01/42/90/1074014290.db2.gz SMTAXLIAHCWXHF-CQSZACIVSA-N 1 0 392.460 -0.676 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419942577 1074014783 /nfs/dbraw/zinc/01/47/83/1074014783.db2.gz GFFBBXQSVGNXPK-HZPDHXFCSA-N 1 0 395.504 -1.364 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419942579 1074014589 /nfs/dbraw/zinc/01/45/89/1074014589.db2.gz GFFBBXQSVGNXPK-JKSUJKDBSA-N 1 0 395.504 -1.364 20 0 GAADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000419943115 1074014321 /nfs/dbraw/zinc/01/43/21/1074014321.db2.gz PKKOPXPLDQTCMI-AWEZNQCLSA-N 1 0 389.522 -1.038 20 0 GAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000419943116 1074014364 /nfs/dbraw/zinc/01/43/64/1074014364.db2.gz PKKOPXPLDQTCMI-CQSZACIVSA-N 1 0 389.522 -1.038 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419943302 1074014211 /nfs/dbraw/zinc/01/42/11/1074014211.db2.gz HENRFHBCTMMCTE-HZPDHXFCSA-N 1 0 397.520 -1.070 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419943309 1074014728 /nfs/dbraw/zinc/01/47/28/1074014728.db2.gz HENRFHBCTMMCTE-JKSUJKDBSA-N 1 0 397.520 -1.070 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000419945280 530110494 /nfs/dbraw/zinc/11/04/94/530110494.db2.gz JODJOEVSVBKICN-CYBMUJFWSA-N 1 0 378.495 -1.531 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000419945282 530110429 /nfs/dbraw/zinc/11/04/29/530110429.db2.gz JODJOEVSVBKICN-ZDUSSCGKSA-N 1 0 378.495 -1.531 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000419945554 1074014616 /nfs/dbraw/zinc/01/46/16/1074014616.db2.gz KBRNAFKLSTZVBV-KBPBESRZSA-N 1 0 390.506 -1.389 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000419945555 1074014758 /nfs/dbraw/zinc/01/47/58/1074014758.db2.gz KBRNAFKLSTZVBV-KGLIPLIRSA-N 1 0 390.506 -1.389 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000419945556 1074014718 /nfs/dbraw/zinc/01/47/18/1074014718.db2.gz KBRNAFKLSTZVBV-UONOGXRCSA-N 1 0 390.506 -1.389 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000419945557 1074014674 /nfs/dbraw/zinc/01/46/74/1074014674.db2.gz KBRNAFKLSTZVBV-ZIAGYGMSSA-N 1 0 390.506 -1.389 20 0 GAADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000419946277 1074014577 /nfs/dbraw/zinc/01/45/77/1074014577.db2.gz AQPJUYGEXMNHEI-HNNXBMFYSA-N 1 0 383.493 -1.521 20 0 GAADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000419946278 1074014698 /nfs/dbraw/zinc/01/46/98/1074014698.db2.gz AQPJUYGEXMNHEI-OAHLLOKOSA-N 1 0 383.493 -1.521 20 0 GAADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1)N1CCOCC1 ZINC000419949177 1074013926 /nfs/dbraw/zinc/01/39/26/1074013926.db2.gz KVHFJTIABUZTGV-OAHLLOKOSA-N 1 0 381.477 -1.752 20 0 GAADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000419949748 1074013913 /nfs/dbraw/zinc/01/39/13/1074013913.db2.gz HKSJPBJBLNBENS-AWEZNQCLSA-N 1 0 397.476 -1.994 20 0 GAADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000419949749 1074013795 /nfs/dbraw/zinc/01/37/95/1074013795.db2.gz HKSJPBJBLNBENS-CQSZACIVSA-N 1 0 397.476 -1.994 20 0 GAADRO O=C(NCC1C[NH2+]C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419950533 1074013838 /nfs/dbraw/zinc/01/38/38/1074013838.db2.gz MIHQMOSAEXMENS-UHFFFAOYSA-N 1 0 378.454 -1.075 20 0 GAADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000419952058 1074013719 /nfs/dbraw/zinc/01/37/19/1074013719.db2.gz JKJGOKUGLQOKEI-CYBMUJFWSA-N 1 0 390.510 -2.666 20 0 GAADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000419952063 1074013752 /nfs/dbraw/zinc/01/37/52/1074013752.db2.gz JKJGOKUGLQOKEI-ZDUSSCGKSA-N 1 0 390.510 -2.666 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000419953714 1074014184 /nfs/dbraw/zinc/01/41/84/1074014184.db2.gz PSAMLEAKZVDKOQ-KBPBESRZSA-N 1 0 392.522 -1.143 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000419953716 1074014387 /nfs/dbraw/zinc/01/43/87/1074014387.db2.gz PSAMLEAKZVDKOQ-KGLIPLIRSA-N 1 0 392.522 -1.143 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000419953718 1074014244 /nfs/dbraw/zinc/01/42/44/1074014244.db2.gz PSAMLEAKZVDKOQ-UONOGXRCSA-N 1 0 392.522 -1.143 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000419953719 1074014163 /nfs/dbraw/zinc/01/41/63/1074014163.db2.gz PSAMLEAKZVDKOQ-ZIAGYGMSSA-N 1 0 392.522 -1.143 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000419954375 1074013816 /nfs/dbraw/zinc/01/38/16/1074013816.db2.gz QGNLGDZESNEEPI-CABCVRRESA-N 1 0 383.493 -1.650 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000419954376 1074013849 /nfs/dbraw/zinc/01/38/49/1074013849.db2.gz QGNLGDZESNEEPI-GJZGRUSLSA-N 1 0 383.493 -1.650 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000419954377 1074013938 /nfs/dbraw/zinc/01/39/38/1074013938.db2.gz QGNLGDZESNEEPI-HUUCEWRRSA-N 1 0 383.493 -1.650 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000419954378 1074013957 /nfs/dbraw/zinc/01/39/57/1074013957.db2.gz QGNLGDZESNEEPI-LSDHHAIUSA-N 1 0 383.493 -1.650 20 0 GAADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000419954769 1074014397 /nfs/dbraw/zinc/01/43/97/1074014397.db2.gz QSQUILILKVPTPO-CQSZACIVSA-N 1 0 395.460 -2.226 20 0 GAADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000419962705 1074014767 /nfs/dbraw/zinc/01/47/67/1074014767.db2.gz UFXYIRSKHJRAPF-CYBMUJFWSA-N 1 0 395.460 -1.704 20 0 GAADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000419962707 1074014651 /nfs/dbraw/zinc/01/46/51/1074014651.db2.gz UFXYIRSKHJRAPF-ZDUSSCGKSA-N 1 0 395.460 -1.704 20 0 GAADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1CCCCC1 ZINC000419962887 1074014683 /nfs/dbraw/zinc/01/46/83/1074014683.db2.gz HGXZOUBEIQJPJY-AWEZNQCLSA-N 1 0 392.464 -1.632 20 0 GAADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1CCCCC1 ZINC000419962888 1074014605 /nfs/dbraw/zinc/01/46/05/1074014605.db2.gz HGXZOUBEIQJPJY-CQSZACIVSA-N 1 0 392.464 -1.632 20 0 GAADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419962931 1074014738 /nfs/dbraw/zinc/01/47/38/1074014738.db2.gz VNRLQTHXWNSART-CYBMUJFWSA-N 1 0 397.501 -1.046 20 0 GAADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419962932 1074014628 /nfs/dbraw/zinc/01/46/28/1074014628.db2.gz VNRLQTHXWNSART-ZDUSSCGKSA-N 1 0 397.501 -1.046 20 0 GAADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CCCCC1 ZINC000419965000 1074014639 /nfs/dbraw/zinc/01/46/39/1074014639.db2.gz JGNQMEBPCKZOJI-HNNXBMFYSA-N 1 0 393.488 -1.040 20 0 GAADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C1CCCCC1 ZINC000419965001 1074014774 /nfs/dbraw/zinc/01/47/74/1074014774.db2.gz JGNQMEBPCKZOJI-OAHLLOKOSA-N 1 0 393.488 -1.040 20 0 GAADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000419965289 1074014748 /nfs/dbraw/zinc/01/47/48/1074014748.db2.gz WTEHQSZEQXIMIK-HNNXBMFYSA-N 1 0 383.493 -1.521 20 0 GAADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000419965290 1074014705 /nfs/dbraw/zinc/01/47/05/1074014705.db2.gz WTEHQSZEQXIMIK-OAHLLOKOSA-N 1 0 383.493 -1.521 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000419965621 530110476 /nfs/dbraw/zinc/11/04/76/530110476.db2.gz YJZKUWJNUIEOKE-CHWSQXEVSA-N 1 0 378.495 -1.404 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000419965622 530110475 /nfs/dbraw/zinc/11/04/75/530110475.db2.gz YJZKUWJNUIEOKE-OLZOCXBDSA-N 1 0 378.495 -1.404 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000419965623 530110441 /nfs/dbraw/zinc/11/04/41/530110441.db2.gz YJZKUWJNUIEOKE-QWHCGFSZSA-N 1 0 378.495 -1.404 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000419965624 530110629 /nfs/dbraw/zinc/11/06/29/530110629.db2.gz YJZKUWJNUIEOKE-STQMWFEESA-N 1 0 378.495 -1.404 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419966032 530110485 /nfs/dbraw/zinc/11/04/85/530110485.db2.gz YACJRADXICCZNA-CYBMUJFWSA-N 1 0 378.495 -1.404 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419966033 530110455 /nfs/dbraw/zinc/11/04/55/530110455.db2.gz YACJRADXICCZNA-ZDUSSCGKSA-N 1 0 378.495 -1.404 20 0 GAADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000419967068 1074015034 /nfs/dbraw/zinc/01/50/34/1074015034.db2.gz ZXDPDNWYZCFBBY-CVEARBPZSA-N 1 0 397.520 -1.133 20 0 GAADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000419967069 1074015062 /nfs/dbraw/zinc/01/50/62/1074015062.db2.gz ZXDPDNWYZCFBBY-HOTGVXAUSA-N 1 0 397.520 -1.133 20 0 GAADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000419967070 1074014937 /nfs/dbraw/zinc/01/49/37/1074014937.db2.gz ZXDPDNWYZCFBBY-HZPDHXFCSA-N 1 0 397.520 -1.133 20 0 GAADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000419967071 1074015109 /nfs/dbraw/zinc/01/51/09/1074015109.db2.gz ZXDPDNWYZCFBBY-JKSUJKDBSA-N 1 0 397.520 -1.133 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419967437 1074014960 /nfs/dbraw/zinc/01/49/60/1074014960.db2.gz BBMANSZVGZESHT-AWEZNQCLSA-N 1 0 392.522 -1.014 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419967438 1074015127 /nfs/dbraw/zinc/01/51/27/1074015127.db2.gz BBMANSZVGZESHT-CQSZACIVSA-N 1 0 392.522 -1.014 20 0 GAADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000419972819 1074015068 /nfs/dbraw/zinc/01/50/68/1074015068.db2.gz IPSIFKUIMLLCJD-CYBMUJFWSA-N 1 0 383.449 -2.385 20 0 GAADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000419972820 1074014988 /nfs/dbraw/zinc/01/49/88/1074014988.db2.gz IPSIFKUIMLLCJD-ZDUSSCGKSA-N 1 0 383.449 -2.385 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419973643 1074015046 /nfs/dbraw/zinc/01/50/46/1074015046.db2.gz JMTLDLAEZHYFRK-CABCVRRESA-N 1 0 385.509 -1.229 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419973645 1074015001 /nfs/dbraw/zinc/01/50/01/1074015001.db2.gz JMTLDLAEZHYFRK-GJZGRUSLSA-N 1 0 385.509 -1.229 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419973647 1074014973 /nfs/dbraw/zinc/01/49/73/1074014973.db2.gz JMTLDLAEZHYFRK-HUUCEWRRSA-N 1 0 385.509 -1.229 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419973649 1074015118 /nfs/dbraw/zinc/01/51/18/1074015118.db2.gz JMTLDLAEZHYFRK-LSDHHAIUSA-N 1 0 385.509 -1.229 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)no1 ZINC000419974739 1074015149 /nfs/dbraw/zinc/01/51/49/1074015149.db2.gz KQMPPNNEWODGFI-CYBMUJFWSA-N 1 0 380.449 -0.835 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)no1 ZINC000419974740 1074879581 /nfs/dbraw/zinc/87/95/81/1074879581.db2.gz KQMPPNNEWODGFI-ZDUSSCGKSA-N 1 0 380.449 -0.835 20 0 GAADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000419974780 1074015097 /nfs/dbraw/zinc/01/50/97/1074015097.db2.gz KVHGOBQNDSIOOA-KBPBESRZSA-N 1 0 390.506 -1.261 20 0 GAADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000419974781 1074015078 /nfs/dbraw/zinc/01/50/78/1074015078.db2.gz KVHGOBQNDSIOOA-KGLIPLIRSA-N 1 0 390.506 -1.261 20 0 GAADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000419974782 1074015013 /nfs/dbraw/zinc/01/50/13/1074015013.db2.gz KVHGOBQNDSIOOA-UONOGXRCSA-N 1 0 390.506 -1.261 20 0 GAADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000419974783 1074015027 /nfs/dbraw/zinc/01/50/27/1074015027.db2.gz KVHGOBQNDSIOOA-ZIAGYGMSSA-N 1 0 390.506 -1.261 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC2)no1 ZINC000419975899 1074015088 /nfs/dbraw/zinc/01/50/88/1074015088.db2.gz KMAGBSYMGXAMGP-AWEZNQCLSA-N 1 0 394.476 -0.445 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)no1 ZINC000419975900 1074014950 /nfs/dbraw/zinc/01/49/50/1074014950.db2.gz KMAGBSYMGXAMGP-CQSZACIVSA-N 1 0 394.476 -0.445 20 0 GAADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000419977489 1074015140 /nfs/dbraw/zinc/01/51/40/1074015140.db2.gz MSZYVCRERUHKQI-AWEZNQCLSA-N 1 0 381.477 -1.231 20 0 GAADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000419977493 1074015394 /nfs/dbraw/zinc/01/53/94/1074015394.db2.gz MSZYVCRERUHKQI-CQSZACIVSA-N 1 0 381.477 -1.231 20 0 GAADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000419980257 1074015420 /nfs/dbraw/zinc/01/54/20/1074015420.db2.gz QPSJCWUWDBSDGV-CABCVRRESA-N 1 0 383.493 -1.523 20 0 GAADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000419980258 1074015322 /nfs/dbraw/zinc/01/53/22/1074015322.db2.gz QPSJCWUWDBSDGV-GJZGRUSLSA-N 1 0 383.493 -1.523 20 0 GAADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000419980259 1074015510 /nfs/dbraw/zinc/01/55/10/1074015510.db2.gz QPSJCWUWDBSDGV-HUUCEWRRSA-N 1 0 383.493 -1.523 20 0 GAADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000419980260 1074015499 /nfs/dbraw/zinc/01/54/99/1074015499.db2.gz QPSJCWUWDBSDGV-LSDHHAIUSA-N 1 0 383.493 -1.523 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987193 530110712 /nfs/dbraw/zinc/11/07/12/530110712.db2.gz DGPXLQKKXHOTQW-CHWSQXEVSA-N 1 0 378.495 -1.261 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000419987194 530110426 /nfs/dbraw/zinc/11/04/26/530110426.db2.gz DGPXLQKKXHOTQW-OLZOCXBDSA-N 1 0 378.495 -1.261 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987195 530110619 /nfs/dbraw/zinc/11/06/19/530110619.db2.gz DGPXLQKKXHOTQW-QWHCGFSZSA-N 1 0 378.495 -1.261 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000419987196 530110602 /nfs/dbraw/zinc/11/06/02/530110602.db2.gz DGPXLQKKXHOTQW-STQMWFEESA-N 1 0 378.495 -1.261 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419990368 530110672 /nfs/dbraw/zinc/11/06/72/530110672.db2.gz HOQHKWJPLZFXFS-CYBMUJFWSA-N 1 0 378.495 -1.261 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419990369 530110418 /nfs/dbraw/zinc/11/04/18/530110418.db2.gz HOQHKWJPLZFXFS-ZDUSSCGKSA-N 1 0 378.495 -1.261 20 0 GAADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419990832 1074015491 /nfs/dbraw/zinc/01/54/91/1074015491.db2.gz AIPJACJTNRXNRZ-AGIUHOORSA-N 1 0 391.494 -2.052 20 0 GAADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419990836 1074015351 /nfs/dbraw/zinc/01/53/51/1074015351.db2.gz AIPJACJTNRXNRZ-JHJVBQTASA-N 1 0 391.494 -2.052 20 0 GAADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419990838 1074015289 /nfs/dbraw/zinc/01/52/89/1074015289.db2.gz AIPJACJTNRXNRZ-UPJWGTAASA-N 1 0 391.494 -2.052 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419993589 1074015467 /nfs/dbraw/zinc/01/54/67/1074015467.db2.gz GNHCDZNAINTRBE-CVEARBPZSA-N 1 0 395.504 -1.364 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419993590 1074015447 /nfs/dbraw/zinc/01/54/47/1074015447.db2.gz GNHCDZNAINTRBE-HOTGVXAUSA-N 1 0 395.504 -1.364 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419993591 1074015407 /nfs/dbraw/zinc/01/54/07/1074015407.db2.gz GNHCDZNAINTRBE-HZPDHXFCSA-N 1 0 395.504 -1.364 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419993592 1074015376 /nfs/dbraw/zinc/01/53/76/1074015376.db2.gz GNHCDZNAINTRBE-JKSUJKDBSA-N 1 0 395.504 -1.364 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)no1 ZINC000419994057 1074015334 /nfs/dbraw/zinc/01/53/34/1074015334.db2.gz GVLPDIUPAPMRCJ-AWEZNQCLSA-N 1 0 392.460 -0.676 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)no1 ZINC000419994058 1074015362 /nfs/dbraw/zinc/01/53/62/1074015362.db2.gz GVLPDIUPAPMRCJ-CQSZACIVSA-N 1 0 392.460 -0.676 20 0 GAADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000419994747 530110431 /nfs/dbraw/zinc/11/04/31/530110431.db2.gz HMXAFANZPDOVJJ-CYBMUJFWSA-N 1 0 375.495 -1.285 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000419996455 1074015310 /nfs/dbraw/zinc/01/53/10/1074015310.db2.gz KZUQWTWLKAPIBH-KBPBESRZSA-N 1 0 392.522 -1.015 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000419996459 1074015300 /nfs/dbraw/zinc/01/53/00/1074015300.db2.gz KZUQWTWLKAPIBH-KGLIPLIRSA-N 1 0 392.522 -1.015 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000419996461 1074015459 /nfs/dbraw/zinc/01/54/59/1074015459.db2.gz KZUQWTWLKAPIBH-UONOGXRCSA-N 1 0 392.522 -1.015 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000419996464 1074015434 /nfs/dbraw/zinc/01/54/34/1074015434.db2.gz KZUQWTWLKAPIBH-ZIAGYGMSSA-N 1 0 392.522 -1.015 20 0 GAADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000419997394 1074015260 /nfs/dbraw/zinc/01/52/60/1074015260.db2.gz ONDSUEARTWMFDF-CYBMUJFWSA-N 1 0 390.510 -2.524 20 0 GAADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000419997395 1074015644 /nfs/dbraw/zinc/01/56/44/1074015644.db2.gz ONDSUEARTWMFDF-ZDUSSCGKSA-N 1 0 390.510 -2.524 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419998498 1074015864 /nfs/dbraw/zinc/01/58/64/1074015864.db2.gz LSZTZISFPPTDPI-AWEZNQCLSA-N 1 0 390.506 -1.245 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419998500 1074015815 /nfs/dbraw/zinc/01/58/15/1074015815.db2.gz LSZTZISFPPTDPI-CQSZACIVSA-N 1 0 390.506 -1.245 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000420002255 1074015714 /nfs/dbraw/zinc/01/57/14/1074015714.db2.gz WFNDZYNGJYQEMN-KBPBESRZSA-N 1 0 390.506 -1.260 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000420002256 1074015759 /nfs/dbraw/zinc/01/57/59/1074015759.db2.gz WFNDZYNGJYQEMN-KGLIPLIRSA-N 1 0 390.506 -1.260 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000420002257 1074015674 /nfs/dbraw/zinc/01/56/74/1074015674.db2.gz WFNDZYNGJYQEMN-UONOGXRCSA-N 1 0 390.506 -1.260 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000420002258 1074015828 /nfs/dbraw/zinc/01/58/28/1074015828.db2.gz WFNDZYNGJYQEMN-ZIAGYGMSSA-N 1 0 390.506 -1.260 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420002799 530110500 /nfs/dbraw/zinc/11/05/00/530110500.db2.gz UFBGDWXAYSWFKJ-CYBMUJFWSA-N 1 0 378.495 -1.404 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420002800 530110656 /nfs/dbraw/zinc/11/06/56/530110656.db2.gz UFBGDWXAYSWFKJ-ZDUSSCGKSA-N 1 0 378.495 -1.404 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000420004033 1074015838 /nfs/dbraw/zinc/01/58/38/1074015838.db2.gz USFHAUFEDMRFKF-CVEARBPZSA-N 1 0 397.520 -1.070 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000420004034 1074015727 /nfs/dbraw/zinc/01/57/27/1074015727.db2.gz USFHAUFEDMRFKF-HOTGVXAUSA-N 1 0 397.520 -1.070 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000420004035 1074015771 /nfs/dbraw/zinc/01/57/71/1074015771.db2.gz USFHAUFEDMRFKF-HZPDHXFCSA-N 1 0 397.520 -1.070 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000420004037 1074015664 /nfs/dbraw/zinc/01/56/64/1074015664.db2.gz USFHAUFEDMRFKF-JKSUJKDBSA-N 1 0 397.520 -1.070 20 0 GAADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420007543 1074015884 /nfs/dbraw/zinc/01/58/84/1074015884.db2.gz AIPJACJTNRXNRZ-AVGNSLFASA-N 1 0 391.494 -2.052 20 0 GAADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420007545 1074015698 /nfs/dbraw/zinc/01/56/98/1074015698.db2.gz AIPJACJTNRXNRZ-RWMBFGLXSA-N 1 0 391.494 -2.052 20 0 GAADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420007547 1074015782 /nfs/dbraw/zinc/01/57/82/1074015782.db2.gz AIPJACJTNRXNRZ-YNEHKIRRSA-N 1 0 391.494 -2.052 20 0 GAADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000420008755 1074015874 /nfs/dbraw/zinc/01/58/74/1074015874.db2.gz BYZXDCAIKZGIPS-CVEARBPZSA-N 1 0 395.504 -1.377 20 0 GAADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000420008758 1074015794 /nfs/dbraw/zinc/01/57/94/1074015794.db2.gz BYZXDCAIKZGIPS-HOTGVXAUSA-N 1 0 395.504 -1.377 20 0 GAADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000420008760 1074016093 /nfs/dbraw/zinc/01/60/93/1074016093.db2.gz BYZXDCAIKZGIPS-HZPDHXFCSA-N 1 0 395.504 -1.377 20 0 GAADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000420008762 1074016173 /nfs/dbraw/zinc/01/61/73/1074016173.db2.gz BYZXDCAIKZGIPS-JKSUJKDBSA-N 1 0 395.504 -1.377 20 0 GAADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000420012122 1074016666 /nfs/dbraw/zinc/01/66/66/1074016666.db2.gz ARSGWKGLGYTYCT-CVEARBPZSA-N 1 0 395.504 -1.377 20 0 GAADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000420012123 1074016555 /nfs/dbraw/zinc/01/65/55/1074016555.db2.gz ARSGWKGLGYTYCT-HOTGVXAUSA-N 1 0 395.504 -1.377 20 0 GAADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000420012124 1074016582 /nfs/dbraw/zinc/01/65/82/1074016582.db2.gz ARSGWKGLGYTYCT-HZPDHXFCSA-N 1 0 395.504 -1.377 20 0 GAADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000420012125 1074017043 /nfs/dbraw/zinc/01/70/43/1074017043.db2.gz ARSGWKGLGYTYCT-JKSUJKDBSA-N 1 0 395.504 -1.377 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420014918 1074017129 /nfs/dbraw/zinc/01/71/29/1074017129.db2.gz LEJGQRZCDHYZRN-AWEZNQCLSA-N 1 0 392.522 -1.015 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420014919 1074017157 /nfs/dbraw/zinc/01/71/57/1074017157.db2.gz LEJGQRZCDHYZRN-CQSZACIVSA-N 1 0 392.522 -1.015 20 0 GAADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000420015914 1074017084 /nfs/dbraw/zinc/01/70/84/1074017084.db2.gz LWVYESSHWMZVBD-CHWSQXEVSA-N 1 0 378.437 -2.022 20 0 GAADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000420015915 1074017206 /nfs/dbraw/zinc/01/72/06/1074017206.db2.gz LWVYESSHWMZVBD-OLZOCXBDSA-N 1 0 378.437 -2.022 20 0 GAADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000420015916 1074017174 /nfs/dbraw/zinc/01/71/74/1074017174.db2.gz LWVYESSHWMZVBD-QWHCGFSZSA-N 1 0 378.437 -2.022 20 0 GAADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000420015917 1074017054 /nfs/dbraw/zinc/01/70/54/1074017054.db2.gz LWVYESSHWMZVBD-STQMWFEESA-N 1 0 378.437 -2.022 20 0 GAADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000420015962 1074017096 /nfs/dbraw/zinc/01/70/96/1074017096.db2.gz MCFFRQHMZVZKEH-GXTWGEPZSA-N 1 0 379.461 -1.431 20 0 GAADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000420015963 1074017167 /nfs/dbraw/zinc/01/71/67/1074017167.db2.gz MCFFRQHMZVZKEH-JSGCOSHPSA-N 1 0 379.461 -1.431 20 0 GAADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000420015964 1074017016 /nfs/dbraw/zinc/01/70/16/1074017016.db2.gz MCFFRQHMZVZKEH-OCCSQVGLSA-N 1 0 379.461 -1.431 20 0 GAADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000420015965 1074017107 /nfs/dbraw/zinc/01/71/07/1074017107.db2.gz MCFFRQHMZVZKEH-TZMCWYRMSA-N 1 0 379.461 -1.431 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420016814 1074017140 /nfs/dbraw/zinc/01/71/40/1074017140.db2.gz NJXKOHQRMJGTBN-KBPBESRZSA-N 1 0 381.477 -1.185 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420016815 1074017148 /nfs/dbraw/zinc/01/71/48/1074017148.db2.gz NJXKOHQRMJGTBN-KGLIPLIRSA-N 1 0 381.477 -1.185 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420016816 1074017183 /nfs/dbraw/zinc/01/71/83/1074017183.db2.gz NJXKOHQRMJGTBN-UONOGXRCSA-N 1 0 381.477 -1.185 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420016817 1074017063 /nfs/dbraw/zinc/01/70/63/1074017063.db2.gz NJXKOHQRMJGTBN-ZIAGYGMSSA-N 1 0 381.477 -1.185 20 0 GAADRO 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CWQPRUQRILECHK-ZDUSSCGKSA-N 1 0 395.426 -1.271 20 0 GAADRO CO[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1OC ZINC000420208681 1074021921 /nfs/dbraw/zinc/02/19/21/1074021921.db2.gz GKKARKZSKXVWRH-GRYCIOLGSA-N 1 0 382.383 -1.189 20 0 GAADRO CO[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1OC ZINC000420208682 1074021816 /nfs/dbraw/zinc/02/18/16/1074021816.db2.gz GKKARKZSKXVWRH-IJLUTSLNSA-N 1 0 382.383 -1.189 20 0 GAADRO CO[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1OC ZINC000420208683 1074021902 /nfs/dbraw/zinc/02/19/02/1074021902.db2.gz GKKARKZSKXVWRH-TUAOUCFPSA-N 1 0 382.383 -1.189 20 0 GAADRO CO[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1OC ZINC000420208684 1074021890 /nfs/dbraw/zinc/02/18/90/1074021890.db2.gz GKKARKZSKXVWRH-UTUOFQBUSA-N 1 0 382.383 -1.189 20 0 GAADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000420209414 1074021809 /nfs/dbraw/zinc/02/18/09/1074021809.db2.gz GNXNXRJPLHWRBW-GFCCVEGCSA-N 1 0 391.394 -1.324 20 0 GAADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000420209419 1074021977 /nfs/dbraw/zinc/02/19/77/1074021977.db2.gz GNXNXRJPLHWRBW-LBPRGKRZSA-N 1 0 391.394 -1.324 20 0 GAADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000420209735 1074022278 /nfs/dbraw/zinc/02/22/78/1074022278.db2.gz GYKJWTPTTLPRLT-GFCCVEGCSA-N 1 0 391.394 -1.228 20 0 GAADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000420209743 1074022149 /nfs/dbraw/zinc/02/21/49/1074022149.db2.gz GYKJWTPTTLPRLT-LBPRGKRZSA-N 1 0 391.394 -1.228 20 0 GAADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420210547 1074021858 /nfs/dbraw/zinc/02/18/58/1074021858.db2.gz HGODLOLLPRSAIX-GHMZBOCLSA-N 1 0 380.367 -1.040 20 0 GAADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420210548 1074021912 /nfs/dbraw/zinc/02/19/12/1074021912.db2.gz HGODLOLLPRSAIX-MNOVXSKESA-N 1 0 380.367 -1.040 20 0 GAADRO COC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420210549 1074022266 /nfs/dbraw/zinc/02/22/66/1074022266.db2.gz HGODLOLLPRSAIX-QWRGUYRKSA-N 1 0 380.367 -1.040 20 0 GAADRO COC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420210550 1074022325 /nfs/dbraw/zinc/02/23/25/1074022325.db2.gz HGODLOLLPRSAIX-WDEREUQCSA-N 1 0 380.367 -1.040 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H](CO)O1 ZINC000420213418 1074022307 /nfs/dbraw/zinc/02/23/07/1074022307.db2.gz JEOXVWBKEXHLRC-GRYCIOLGSA-N 1 0 382.383 -1.453 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](CO)O1 ZINC000420213419 1074022202 /nfs/dbraw/zinc/02/22/02/1074022202.db2.gz JEOXVWBKEXHLRC-IJLUTSLNSA-N 1 0 382.383 -1.453 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](CO)O1 ZINC000420213421 1074022184 /nfs/dbraw/zinc/02/21/84/1074022184.db2.gz JEOXVWBKEXHLRC-UTUOFQBUSA-N 1 0 382.383 -1.453 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H](CO)O1 ZINC000420213423 1074022299 /nfs/dbraw/zinc/02/22/99/1074022299.db2.gz JEOXVWBKEXHLRC-WOPDTQHZSA-N 1 0 382.383 -1.453 20 0 GAADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000420213469 1074022231 /nfs/dbraw/zinc/02/22/31/1074022231.db2.gz JLBVPUIGDPMLBU-CHWSQXEVSA-N 1 0 393.410 -1.518 20 0 GAADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000420213470 1074022288 /nfs/dbraw/zinc/02/22/88/1074022288.db2.gz JLBVPUIGDPMLBU-OLZOCXBDSA-N 1 0 393.410 -1.518 20 0 GAADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000420213471 1074022368 /nfs/dbraw/zinc/02/23/68/1074022368.db2.gz JLBVPUIGDPMLBU-QWHCGFSZSA-N 1 0 393.410 -1.518 20 0 GAADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000420213472 1074022318 /nfs/dbraw/zinc/02/23/18/1074022318.db2.gz JLBVPUIGDPMLBU-STQMWFEESA-N 1 0 393.410 -1.518 20 0 GAADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420215319 1074022380 /nfs/dbraw/zinc/02/23/80/1074022380.db2.gz KYYKJLDBOXHKEE-AVGNSLFASA-N 1 0 396.410 -1.063 20 0 GAADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420215320 1074022259 /nfs/dbraw/zinc/02/22/59/1074022259.db2.gz KYYKJLDBOXHKEE-RWMBFGLXSA-N 1 0 396.410 -1.063 20 0 GAADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420215321 1074022169 /nfs/dbraw/zinc/02/21/69/1074022169.db2.gz KYYKJLDBOXHKEE-XQQFMLRXSA-N 1 0 396.410 -1.063 20 0 GAADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420215322 1074022357 /nfs/dbraw/zinc/02/23/57/1074022357.db2.gz KYYKJLDBOXHKEE-YNEHKIRRSA-N 1 0 396.410 -1.063 20 0 GAADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)ncn1 ZINC000420215740 1074022571 /nfs/dbraw/zinc/02/25/71/1074022571.db2.gz LKVRAXNUCBOCMF-CYBMUJFWSA-N 1 0 378.433 -1.372 20 0 GAADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)ncn1 ZINC000420215742 1074022623 /nfs/dbraw/zinc/02/26/23/1074022623.db2.gz LKVRAXNUCBOCMF-ZDUSSCGKSA-N 1 0 378.433 -1.372 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC(=O)N1C ZINC000420215819 1074022655 /nfs/dbraw/zinc/02/26/55/1074022655.db2.gz LOZKVOGJHDKVGP-GHMZBOCLSA-N 1 0 379.383 -1.372 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC(=O)N1C ZINC000420215821 1074022677 /nfs/dbraw/zinc/02/26/77/1074022677.db2.gz LOZKVOGJHDKVGP-MNOVXSKESA-N 1 0 379.383 -1.372 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC(=O)N1C ZINC000420215823 1074022649 /nfs/dbraw/zinc/02/26/49/1074022649.db2.gz LOZKVOGJHDKVGP-QWRGUYRKSA-N 1 0 379.383 -1.372 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC(=O)N1C ZINC000420215825 1074022555 /nfs/dbraw/zinc/02/25/55/1074022555.db2.gz LOZKVOGJHDKVGP-WDEREUQCSA-N 1 0 379.383 -1.372 20 0 GAADRO C[C@@H]1COCCN1CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217132 1074022629 /nfs/dbraw/zinc/02/26/29/1074022629.db2.gz MOGFFZYAFUIKAE-CHWSQXEVSA-N 1 0 395.426 -1.224 20 0 GAADRO C[C@@H]1COCCN1CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217133 1074022591 /nfs/dbraw/zinc/02/25/91/1074022591.db2.gz MOGFFZYAFUIKAE-OLZOCXBDSA-N 1 0 395.426 -1.224 20 0 GAADRO C[C@H]1COCCN1CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217134 1074022691 /nfs/dbraw/zinc/02/26/91/1074022691.db2.gz MOGFFZYAFUIKAE-QWHCGFSZSA-N 1 0 395.426 -1.224 20 0 GAADRO C[C@H]1COCCN1CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217135 1074022700 /nfs/dbraw/zinc/02/27/00/1074022700.db2.gz MOGFFZYAFUIKAE-STQMWFEESA-N 1 0 395.426 -1.224 20 0 GAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420217138 1074022671 /nfs/dbraw/zinc/02/26/71/1074022671.db2.gz MPFSXZTTZKMOHR-HNNXBMFYSA-N 1 0 383.493 -1.506 20 0 GAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420217139 1074022642 /nfs/dbraw/zinc/02/26/42/1074022642.db2.gz MPFSXZTTZKMOHR-OAHLLOKOSA-N 1 0 383.493 -1.506 20 0 GAADRO CNC(=O)NC1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420219478 1074022635 /nfs/dbraw/zinc/02/26/35/1074022635.db2.gz OKAPTEYYEUQRNE-JTQLQIEISA-N 1 0 380.371 -1.922 20 0 GAADRO CNC(=O)NC1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420219479 1074022605 /nfs/dbraw/zinc/02/26/05/1074022605.db2.gz OKAPTEYYEUQRNE-SNVBAGLBSA-N 1 0 380.371 -1.922 20 0 GAADRO COCCOC1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420219515 1074022666 /nfs/dbraw/zinc/02/26/66/1074022666.db2.gz OQJMGGPTBYELAO-GFCCVEGCSA-N 1 0 382.383 -1.188 20 0 GAADRO COCCOC1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420219516 1074022577 /nfs/dbraw/zinc/02/25/77/1074022577.db2.gz OQJMGGPTBYELAO-LBPRGKRZSA-N 1 0 382.383 -1.188 20 0 GAADRO CCN1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1=O ZINC000420221512 1074021944 /nfs/dbraw/zinc/02/19/44/1074021944.db2.gz 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COC[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000420223824 1074021966 /nfs/dbraw/zinc/02/19/66/1074021966.db2.gz WDPADZGQDCJZPX-RYUDHWBXSA-N 1 0 382.383 -1.188 20 0 GAADRO COC[C@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000420223827 1074021932 /nfs/dbraw/zinc/02/19/32/1074021932.db2.gz WDPADZGQDCJZPX-VXGBXAGGSA-N 1 0 382.383 -1.188 20 0 GAADRO CN(CCN1CCOCC1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226330 1074021879 /nfs/dbraw/zinc/02/18/79/1074021879.db2.gz ZUSHFHCGJBYRSU-CYBMUJFWSA-N 1 0 395.426 -1.271 20 0 GAADRO CN(CCN1CCOCC1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226331 1074021826 /nfs/dbraw/zinc/02/18/26/1074021826.db2.gz ZUSHFHCGJBYRSU-ZDUSSCGKSA-N 1 0 395.426 -1.271 20 0 GAADRO CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C[C@H](O)C[NH3+] ZINC000420349925 1074022999 /nfs/dbraw/zinc/02/29/99/1074022999.db2.gz FEHRTNIBRFTTCB-CYBMUJFWSA-N 1 0 388.465 -1.090 20 0 GAADRO CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C[C@@H](O)C[NH3+] 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ZINC000422110638 1074030803 /nfs/dbraw/zinc/03/08/03/1074030803.db2.gz WXUSTKBRYZUWLP-ZDUSSCGKSA-N 1 0 378.437 -2.104 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422118589 1074030946 /nfs/dbraw/zinc/03/09/46/1074030946.db2.gz QSVYMTIHZADFRJ-HNNXBMFYSA-N 1 0 383.493 -1.554 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422118592 1074030830 /nfs/dbraw/zinc/03/08/30/1074030830.db2.gz QSVYMTIHZADFRJ-OAHLLOKOSA-N 1 0 383.493 -1.554 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](NC(C)=O)C2)CC1 ZINC000422131038 1074031269 /nfs/dbraw/zinc/03/12/69/1074031269.db2.gz GTJHYYFCUHXUCY-HNNXBMFYSA-N 1 0 381.477 -1.264 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](NC(C)=O)C2)CC1 ZINC000422131042 1074031252 /nfs/dbraw/zinc/03/12/52/1074031252.db2.gz GTJHYYFCUHXUCY-OAHLLOKOSA-N 1 0 381.477 -1.264 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000422141697 1074031414 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JSBGZJNMYHMHDJ-KGLIPLIRSA-N 1 0 384.477 -1.312 20 0 GAADRO CC1(C)CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](CO)O1 ZINC000422281525 1074039252 /nfs/dbraw/zinc/03/92/52/1074039252.db2.gz JSBGZJNMYHMHDJ-UONOGXRCSA-N 1 0 384.477 -1.312 20 0 GAADRO CC1(C)CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](CO)O1 ZINC000422281526 1074039020 /nfs/dbraw/zinc/03/90/20/1074039020.db2.gz JSBGZJNMYHMHDJ-ZIAGYGMSSA-N 1 0 384.477 -1.312 20 0 GAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(COC)COC)CC2)C1 ZINC000422293102 1074039041 /nfs/dbraw/zinc/03/90/41/1074039041.db2.gz IQEWSDOABCOECZ-HNNXBMFYSA-N 1 0 386.493 -1.371 20 0 GAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(COC)COC)CC2)C1 ZINC000422293103 1074038942 /nfs/dbraw/zinc/03/89/42/1074038942.db2.gz IQEWSDOABCOECZ-OAHLLOKOSA-N 1 0 386.493 -1.371 20 0 GAADRO O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000422473434 1074040523 /nfs/dbraw/zinc/04/05/23/1074040523.db2.gz NSICIMIWRHCSFW-UHFFFAOYSA-N 1 0 398.423 -1.100 20 0 GAADRO 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CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000422543920 1074041195 /nfs/dbraw/zinc/04/11/95/1074041195.db2.gz PWTFFEQDDDDTPK-HZPDHXFCSA-N 1 0 395.504 -1.412 20 0 GAADRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000422543921 1074041069 /nfs/dbraw/zinc/04/10/69/1074041069.db2.gz PWTFFEQDDDDTPK-JKSUJKDBSA-N 1 0 395.504 -1.412 20 0 GAADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)cc1 ZINC000422991138 1074043600 /nfs/dbraw/zinc/04/36/00/1074043600.db2.gz OHYZCLMSXOFHLH-UHFFFAOYSA-N 1 0 384.458 -1.055 20 0 GAADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000422998621 1074043475 /nfs/dbraw/zinc/04/34/75/1074043475.db2.gz WLYIKRJVUWARFO-UHFFFAOYSA-N 1 0 396.469 -1.040 20 0 GAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 ZINC000423000163 1074043638 /nfs/dbraw/zinc/04/36/38/1074043638.db2.gz YVPGSQXPBMFTOT-AWEZNQCLSA-N 1 0 396.469 -1.294 20 0 GAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 ZINC000423000164 1074043560 /nfs/dbraw/zinc/04/35/60/1074043560.db2.gz YVPGSQXPBMFTOT-CQSZACIVSA-N 1 0 396.469 -1.294 20 0 GAADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000423013328 1074044069 /nfs/dbraw/zinc/04/40/69/1074044069.db2.gz FOPIKNRICYYWSL-INIZCTEOSA-N 1 0 397.520 -1.179 20 0 GAADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000423013336 1074043904 /nfs/dbraw/zinc/04/39/04/1074043904.db2.gz FOPIKNRICYYWSL-MRXNPFEDSA-N 1 0 397.520 -1.179 20 0 GAADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423016199 1074044026 /nfs/dbraw/zinc/04/40/26/1074044026.db2.gz MEUOZDQTFNCXLA-AVGNSLFASA-N 1 0 392.478 -1.625 20 0 GAADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423016200 1074043878 /nfs/dbraw/zinc/04/38/78/1074043878.db2.gz MEUOZDQTFNCXLA-UPJWGTAASA-N 1 0 392.478 -1.625 20 0 GAADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423016201 1074043990 /nfs/dbraw/zinc/04/39/90/1074043990.db2.gz MEUOZDQTFNCXLA-XQQFMLRXSA-N 1 0 392.478 -1.625 20 0 GAADRO COC[C@]1(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[NH2+]C1 ZINC000423016621 1074043966 /nfs/dbraw/zinc/04/39/66/1074043966.db2.gz NAVGVMAYRJVYBD-INIZCTEOSA-N 1 0 389.522 -1.751 20 0 GAADRO COC[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[NH2+]C1 ZINC000423016634 1074044013 /nfs/dbraw/zinc/04/40/13/1074044013.db2.gz NAVGVMAYRJVYBD-MRXNPFEDSA-N 1 0 389.522 -1.751 20 0 GAADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423018253 1074043935 /nfs/dbraw/zinc/04/39/35/1074043935.db2.gz QNFYBGXQBTUAFO-INIZCTEOSA-N 1 0 394.520 -1.839 20 0 GAADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423018254 1074044057 /nfs/dbraw/zinc/04/40/57/1074044057.db2.gz QNFYBGXQBTUAFO-MRXNPFEDSA-N 1 0 394.520 -1.839 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423019874 1074043982 /nfs/dbraw/zinc/04/39/82/1074043982.db2.gz XQFDGTFICUJGGN-DNVCBOLYSA-N 1 0 395.504 -1.567 20 0 GAADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000423020308 1074044039 /nfs/dbraw/zinc/04/40/39/1074044039.db2.gz ZWGHFYJXEIPMHR-UHFFFAOYSA-N 1 0 383.493 -1.567 20 0 GAADRO COC[C@]1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH2+]C1 ZINC000423023726 530111761 /nfs/dbraw/zinc/11/17/61/530111761.db2.gz KIOOGVLWDMYZHD-HNNXBMFYSA-N 1 0 376.479 -1.666 20 0 GAADRO COC[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH2+]C1 ZINC000423023727 530111781 /nfs/dbraw/zinc/11/17/81/530111781.db2.gz KIOOGVLWDMYZHD-OAHLLOKOSA-N 1 0 376.479 -1.666 20 0 GAADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000423029038 1074044388 /nfs/dbraw/zinc/04/43/88/1074044388.db2.gz HLHRPBBRERJGKZ-UHFFFAOYSA-N 1 0 397.476 -2.041 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)no1 ZINC000423029432 1074044263 /nfs/dbraw/zinc/04/42/63/1074044263.db2.gz AFUDHLOTIVUULE-CYBMUJFWSA-N 1 0 378.433 -0.985 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)no1 ZINC000423029448 1074879531 /nfs/dbraw/zinc/87/95/31/1074879531.db2.gz AHYZNYCVGXEVTM-GFCCVEGCSA-N 1 0 378.433 -1.114 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)no1 ZINC000423029449 1074879519 /nfs/dbraw/zinc/87/95/19/1074879519.db2.gz AHYZNYCVGXEVTM-LBPRGKRZSA-N 1 0 378.433 -1.114 20 0 GAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)C1 ZINC000423029963 1074876249 /nfs/dbraw/zinc/87/62/49/1074876249.db2.gz AWMZFRLARXQSPZ-AWEZNQCLSA-N 1 0 392.460 -0.724 20 0 GAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)C1 ZINC000423029964 1074876206 /nfs/dbraw/zinc/87/62/06/1074876206.db2.gz AWMZFRLARXQSPZ-CQSZACIVSA-N 1 0 392.460 -0.724 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)no1 ZINC000423031014 1074044316 /nfs/dbraw/zinc/04/43/16/1074044316.db2.gz COHCSEMAYZKKSC-UHFFFAOYSA-N 1 0 392.460 -0.724 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423032895 1074044306 /nfs/dbraw/zinc/04/43/06/1074044306.db2.gz NLSZGHAWPXFVDT-KBPBESRZSA-N 1 0 381.477 -1.232 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423032896 1074044276 /nfs/dbraw/zinc/04/42/76/1074044276.db2.gz NLSZGHAWPXFVDT-KGLIPLIRSA-N 1 0 381.477 -1.232 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423032897 1074044482 /nfs/dbraw/zinc/04/44/82/1074044482.db2.gz NLSZGHAWPXFVDT-UONOGXRCSA-N 1 0 381.477 -1.232 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423032898 1074044456 /nfs/dbraw/zinc/04/44/56/1074044456.db2.gz NLSZGHAWPXFVDT-ZIAGYGMSSA-N 1 0 381.477 -1.232 20 0 GAADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000423035777 1074875935 /nfs/dbraw/zinc/87/59/35/1074875935.db2.gz KESCCOCFQJAUGC-UHFFFAOYSA-N 1 0 380.449 -0.866 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)no1 ZINC000423038350 1074879555 /nfs/dbraw/zinc/87/95/55/1074879555.db2.gz OHEDIEHZCXFDGD-BETUJISGSA-N 1 0 392.460 -0.725 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)no1 ZINC000423038353 1074879515 /nfs/dbraw/zinc/87/95/15/1074879515.db2.gz OHEDIEHZCXFDGD-CHWSQXEVSA-N 1 0 392.460 -0.725 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)no1 ZINC000423038424 1074879500 /nfs/dbraw/zinc/87/95/00/1074879500.db2.gz OHEDIEHZCXFDGD-STQMWFEESA-N 1 0 392.460 -0.725 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)no1 ZINC000423039747 1074044294 /nfs/dbraw/zinc/04/42/94/1074044294.db2.gz RJZBJZSLDFXQTI-UHFFFAOYSA-N 1 0 394.476 -0.491 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)no1 ZINC000423040287 1074879517 /nfs/dbraw/zinc/87/95/17/1074879517.db2.gz SYZKKGHKLBSAFK-OKILXGFUSA-N 1 0 390.444 -1.256 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000423040915 1074044569 /nfs/dbraw/zinc/04/45/69/1074044569.db2.gz VIAPWHBOQNSFOW-INIZCTEOSA-N 1 0 395.504 -1.553 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000423040916 1074044532 /nfs/dbraw/zinc/04/45/32/1074044532.db2.gz VIAPWHBOQNSFOW-MRXNPFEDSA-N 1 0 395.504 -1.553 20 0 GAADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423043341 1074044422 /nfs/dbraw/zinc/04/44/22/1074044422.db2.gz OKKFHQAFERAOBY-UHFFFAOYSA-N 1 0 385.446 -1.444 20 0 GAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423044340 1074044500 /nfs/dbraw/zinc/04/45/00/1074044500.db2.gz BDBMLIIGRWTXMD-ILXRZTDVSA-N 1 0 377.489 -1.134 20 0 GAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423044347 1074044361 /nfs/dbraw/zinc/04/43/61/1074044361.db2.gz BDBMLIIGRWTXMD-KFWWJZLASA-N 1 0 377.489 -1.134 20 0 GAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423044350 1074044374 /nfs/dbraw/zinc/04/43/74/1074044374.db2.gz BDBMLIIGRWTXMD-QLFBSQMISA-N 1 0 377.489 -1.134 20 0 GAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423044354 1074044561 /nfs/dbraw/zinc/04/45/61/1074044561.db2.gz BDBMLIIGRWTXMD-RBSFLKMASA-N 1 0 377.489 -1.134 20 0 GAADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)C1 ZINC000423047169 1074043854 /nfs/dbraw/zinc/04/38/54/1074043854.db2.gz GQIQHQHNFABWAK-AWEZNQCLSA-N 1 0 387.506 -1.189 20 0 GAADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)C1 ZINC000423047175 1074044051 /nfs/dbraw/zinc/04/40/51/1074044051.db2.gz GQIQHQHNFABWAK-CQSZACIVSA-N 1 0 387.506 -1.189 20 0 GAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423050833 1074044959 /nfs/dbraw/zinc/04/49/59/1074044959.db2.gz MQPATMVVVUVRGP-ILXRZTDVSA-N 1 0 377.489 -1.134 20 0 GAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423050834 1074044922 /nfs/dbraw/zinc/04/49/22/1074044922.db2.gz MQPATMVVVUVRGP-KFWWJZLASA-N 1 0 377.489 -1.134 20 0 GAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423050835 1074045032 /nfs/dbraw/zinc/04/50/32/1074045032.db2.gz MQPATMVVVUVRGP-QLFBSQMISA-N 1 0 377.489 -1.134 20 0 GAADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423050836 1074045003 /nfs/dbraw/zinc/04/50/03/1074045003.db2.gz MQPATMVVVUVRGP-RBSFLKMASA-N 1 0 377.489 -1.134 20 0 GAADRO O=C(C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1)N1CC[NH2+]CC1 ZINC000423051354 1074044869 /nfs/dbraw/zinc/04/48/69/1074044869.db2.gz NTGSHUFNCJHBRU-UHFFFAOYSA-N 1 0 387.506 -1.317 20 0 GAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000423051835 1074044890 /nfs/dbraw/zinc/04/48/90/1074044890.db2.gz OGYUHLLEQQBHRS-INIZCTEOSA-N 1 0 389.456 -1.045 20 0 GAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000423051836 1074045238 /nfs/dbraw/zinc/04/52/38/1074045238.db2.gz OGYUHLLEQQBHRS-MRXNPFEDSA-N 1 0 389.456 -1.045 20 0 GAADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000423053175 1074045225 /nfs/dbraw/zinc/04/52/25/1074045225.db2.gz RGCQEYVKOKSFDZ-UHFFFAOYSA-N 1 0 383.493 -1.567 20 0 GAADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000423054056 530112025 /nfs/dbraw/zinc/11/20/25/530112025.db2.gz UCTYTQIIPIPAPN-UHFFFAOYSA-N 1 0 375.495 -1.332 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423056527 1074044977 /nfs/dbraw/zinc/04/49/77/1074044977.db2.gz YEPKTLOUMGVUTD-DNVCBOLYSA-N 1 0 395.504 -1.567 20 0 GAADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000423057485 1074045018 /nfs/dbraw/zinc/04/50/18/1074045018.db2.gz ZXUUTTCHWAKZSN-INIZCTEOSA-N 1 0 397.520 -1.179 20 0 GAADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000423057486 1074044828 /nfs/dbraw/zinc/04/48/28/1074044828.db2.gz ZXUUTTCHWAKZSN-MRXNPFEDSA-N 1 0 397.520 -1.179 20 0 GAADRO CCOCCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423062046 1074044763 /nfs/dbraw/zinc/04/47/63/1074044763.db2.gz SDHLRILWSYQRLT-HNNXBMFYSA-N 1 0 383.493 -1.519 20 0 GAADRO CCOCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423062047 1074044935 /nfs/dbraw/zinc/04/49/35/1074044935.db2.gz SDHLRILWSYQRLT-OAHLLOKOSA-N 1 0 383.493 -1.519 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC[NH2+]1 ZINC000423101484 1074045264 /nfs/dbraw/zinc/04/52/64/1074045264.db2.gz DAULVTZCRDEMFT-CYBMUJFWSA-N 1 0 381.458 -1.265 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC[NH2+]1 ZINC000423101487 1074045305 /nfs/dbraw/zinc/04/53/05/1074045305.db2.gz DAULVTZCRDEMFT-ZDUSSCGKSA-N 1 0 381.458 -1.265 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C[C@H]1C[NH3+] ZINC000423108412 1074045289 /nfs/dbraw/zinc/04/52/89/1074045289.db2.gz MDEQOVPEXSGAKF-CHWSQXEVSA-N 1 0 378.437 -2.213 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C[C@@H]1C[NH3+] ZINC000423108413 1074045399 /nfs/dbraw/zinc/04/53/99/1074045399.db2.gz MDEQOVPEXSGAKF-OLZOCXBDSA-N 1 0 378.437 -2.213 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C[C@H]1C[NH3+] ZINC000423108414 1074045434 /nfs/dbraw/zinc/04/54/34/1074045434.db2.gz MDEQOVPEXSGAKF-QWHCGFSZSA-N 1 0 378.437 -2.213 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C[C@@H]1C[NH3+] ZINC000423108415 1074045427 /nfs/dbraw/zinc/04/54/27/1074045427.db2.gz MDEQOVPEXSGAKF-STQMWFEESA-N 1 0 378.437 -2.213 20 0 GAADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000423110253 1074045328 /nfs/dbraw/zinc/04/53/28/1074045328.db2.gz PAEFMVUTYCCINX-CYBMUJFWSA-N 1 0 380.453 -1.824 20 0 GAADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000423110258 1074045812 /nfs/dbraw/zinc/04/58/12/1074045812.db2.gz PAEFMVUTYCCINX-ZDUSSCGKSA-N 1 0 380.453 -1.824 20 0 GAADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423111629 1074045762 /nfs/dbraw/zinc/04/57/62/1074045762.db2.gz QVEDTZROKGDCEO-BETUJISGSA-N 1 0 376.421 -2.303 20 0 GAADRO O=C(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000423121089 530111904 /nfs/dbraw/zinc/11/19/04/530111904.db2.gz IDMZGNGCZCIABB-UHFFFAOYSA-N 1 0 375.451 -2.861 20 0 GAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CCO1 ZINC000423121236 1074045201 /nfs/dbraw/zinc/04/52/01/1074045201.db2.gz AJTNRRBHZLBCTF-HNNXBMFYSA-N 1 0 376.413 -1.137 20 0 GAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CCO1 ZINC000423121237 1074045178 /nfs/dbraw/zinc/04/51/78/1074045178.db2.gz AJTNRRBHZLBCTF-OAHLLOKOSA-N 1 0 376.413 -1.137 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000423126153 1074045449 /nfs/dbraw/zinc/04/54/49/1074045449.db2.gz OHCXJUXIQPCKOX-CYBMUJFWSA-N 1 0 389.478 -2.472 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000423126154 1074045512 /nfs/dbraw/zinc/04/55/12/1074045512.db2.gz OHCXJUXIQPCKOX-ZDUSSCGKSA-N 1 0 389.478 -2.472 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000423128447 1074045380 /nfs/dbraw/zinc/04/53/80/1074045380.db2.gz CYERNHSFBMNRKK-UHFFFAOYSA-N 1 0 388.494 -2.945 20 0 GAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)C[C@H](C)O1 ZINC000423138872 1074045886 /nfs/dbraw/zinc/04/58/86/1074045886.db2.gz YMYRDYZCOVSUGB-BETUJISGSA-N 1 0 391.494 -2.098 20 0 GAADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)C[C@@H](C)O1 ZINC000423138873 1074045752 /nfs/dbraw/zinc/04/57/52/1074045752.db2.gz YMYRDYZCOVSUGB-CHWSQXEVSA-N 1 0 391.494 -2.098 20 0 GAADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)C[C@H](C)O1 ZINC000423138874 1074045859 /nfs/dbraw/zinc/04/58/59/1074045859.db2.gz YMYRDYZCOVSUGB-STQMWFEESA-N 1 0 391.494 -2.098 20 0 GAADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000423140156 1073781702 /nfs/dbraw/zinc/78/17/02/1073781702.db2.gz XOEKFXNZGSDURH-UHFFFAOYSA-N 1 0 390.510 -2.699 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[C@H]1C[NH3+] ZINC000423143408 1074045689 /nfs/dbraw/zinc/04/56/89/1074045689.db2.gz CZLVZRFZVPFOIZ-CHWSQXEVSA-N 1 0 379.461 -1.621 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[C@@H]1C[NH3+] ZINC000423143409 1074045839 /nfs/dbraw/zinc/04/58/39/1074045839.db2.gz CZLVZRFZVPFOIZ-OLZOCXBDSA-N 1 0 379.461 -1.621 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[C@H]1C[NH3+] ZINC000423143410 1074045926 /nfs/dbraw/zinc/04/59/26/1074045926.db2.gz CZLVZRFZVPFOIZ-QWHCGFSZSA-N 1 0 379.461 -1.621 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[C@@H]1C[NH3+] ZINC000423143411 1074045912 /nfs/dbraw/zinc/04/59/12/1074045912.db2.gz CZLVZRFZVPFOIZ-STQMWFEESA-N 1 0 379.461 -1.621 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423145719 1074045701 /nfs/dbraw/zinc/04/57/01/1074045701.db2.gz MDHIXTQHIFWZEM-KZULUSFZSA-N 1 0 379.461 -1.621 20 0 GAADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000423147280 1074045849 /nfs/dbraw/zinc/04/58/49/1074045849.db2.gz ROPHZSUQRRETEJ-AWEZNQCLSA-N 1 0 381.477 -1.232 20 0 GAADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000423147281 1074045732 /nfs/dbraw/zinc/04/57/32/1074045732.db2.gz ROPHZSUQRRETEJ-CQSZACIVSA-N 1 0 381.477 -1.232 20 0 GAADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000423148227 1074045934 /nfs/dbraw/zinc/04/59/34/1074045934.db2.gz FKDLSWQSFSMRKV-HNNXBMFYSA-N 1 0 393.488 -1.133 20 0 GAADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000423148228 1074045872 /nfs/dbraw/zinc/04/58/72/1074045872.db2.gz FKDLSWQSFSMRKV-OAHLLOKOSA-N 1 0 393.488 -1.133 20 0 GAADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000423156615 1074045899 /nfs/dbraw/zinc/04/58/99/1074045899.db2.gz SVTYABPGEZKGES-UHFFFAOYSA-N 1 0 381.477 -1.277 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423156748 1074045801 /nfs/dbraw/zinc/04/58/01/1074045801.db2.gz UEVXCTGQKHEUFN-AUUYWEPGSA-N 1 0 393.488 -1.277 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C[C@H](C)[NH2+]1 ZINC000423159636 1074045712 /nfs/dbraw/zinc/04/57/12/1074045712.db2.gz GBSHEYWCYBTMSB-BETUJISGSA-N 1 0 393.444 -1.985 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C[C@@H](C)[NH2+]1 ZINC000423159637 1074045740 /nfs/dbraw/zinc/04/57/40/1074045740.db2.gz GBSHEYWCYBTMSB-CHWSQXEVSA-N 1 0 393.444 -1.985 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C[C@H](C)[NH2+]1 ZINC000423159638 1074045782 /nfs/dbraw/zinc/04/57/82/1074045782.db2.gz GBSHEYWCYBTMSB-STQMWFEESA-N 1 0 393.444 -1.985 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[NH2+]1 ZINC000423170081 1074046190 /nfs/dbraw/zinc/04/61/90/1074046190.db2.gz XJHRLIPOCSHLNL-UHFFFAOYSA-N 1 0 393.444 -1.983 20 0 GAADRO COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423173723 1074046149 /nfs/dbraw/zinc/04/61/49/1074046149.db2.gz ZUYAGECXUNJMQA-KBPBESRZSA-N 1 0 380.445 -1.322 20 0 GAADRO COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423173724 1074046129 /nfs/dbraw/zinc/04/61/29/1074046129.db2.gz ZUYAGECXUNJMQA-KGLIPLIRSA-N 1 0 380.445 -1.322 20 0 GAADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423173725 1074046169 /nfs/dbraw/zinc/04/61/69/1074046169.db2.gz ZUYAGECXUNJMQA-UONOGXRCSA-N 1 0 380.445 -1.322 20 0 GAADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423173726 1074046369 /nfs/dbraw/zinc/04/63/69/1074046369.db2.gz ZUYAGECXUNJMQA-ZIAGYGMSSA-N 1 0 380.445 -1.322 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C1 ZINC000423205199 1074046162 /nfs/dbraw/zinc/04/61/62/1074046162.db2.gz BDMXJMPWZKBYOC-HZSPNIEDSA-N 1 0 379.461 -1.431 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000423205700 1074046182 /nfs/dbraw/zinc/04/61/82/1074046182.db2.gz BDMXJMPWZKBYOC-MCIONIFRSA-N 1 0 379.461 -1.431 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000423205701 1074046419 /nfs/dbraw/zinc/04/64/19/1074046419.db2.gz BDMXJMPWZKBYOC-MGPQQGTHSA-N 1 0 379.461 -1.431 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C1 ZINC000423205702 1074046233 /nfs/dbraw/zinc/04/62/33/1074046233.db2.gz BDMXJMPWZKBYOC-RDBSUJKOSA-N 1 0 379.461 -1.431 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)C1 ZINC000423205854 1074046200 /nfs/dbraw/zinc/04/62/00/1074046200.db2.gz PTENWTYXOCEQTP-GFCCVEGCSA-N 1 0 375.420 -1.291 20 0 GAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)C1 ZINC000423205855 1074046285 /nfs/dbraw/zinc/04/62/85/1074046285.db2.gz PTENWTYXOCEQTP-LBPRGKRZSA-N 1 0 375.420 -1.291 20 0 GAADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423238706 1074046431 /nfs/dbraw/zinc/04/64/31/1074046431.db2.gz ASKCJSQBKCDKGD-UHFFFAOYSA-N 1 0 395.485 -1.325 20 0 GAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000423255087 1074047154 /nfs/dbraw/zinc/04/71/54/1074047154.db2.gz ASLVMDGWQNONOV-CVEARBPZSA-N 1 0 395.504 -1.412 20 0 GAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000423255088 1074047281 /nfs/dbraw/zinc/04/72/81/1074047281.db2.gz ASLVMDGWQNONOV-HOTGVXAUSA-N 1 0 395.504 -1.412 20 0 GAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000423255089 1074047191 /nfs/dbraw/zinc/04/71/91/1074047191.db2.gz ASLVMDGWQNONOV-HZPDHXFCSA-N 1 0 395.504 -1.412 20 0 GAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000423255090 1074047111 /nfs/dbraw/zinc/04/71/11/1074047111.db2.gz ASLVMDGWQNONOV-JKSUJKDBSA-N 1 0 395.504 -1.412 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423255353 1074047290 /nfs/dbraw/zinc/04/72/90/1074047290.db2.gz BTKRNOURCGNUKM-JYJNAYRXSA-N 1 0 397.520 -1.119 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423255354 1074047239 /nfs/dbraw/zinc/04/72/39/1074047239.db2.gz BTKRNOURCGNUKM-OAGGEKHMSA-N 1 0 397.520 -1.119 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423255355 1074047255 /nfs/dbraw/zinc/04/72/55/1074047255.db2.gz BTKRNOURCGNUKM-OWCLPIDISA-N 1 0 397.520 -1.119 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423255356 1074047331 /nfs/dbraw/zinc/04/73/31/1074047331.db2.gz BTKRNOURCGNUKM-XHSDSOJGSA-N 1 0 397.520 -1.119 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423255554 1074047298 /nfs/dbraw/zinc/04/72/98/1074047298.db2.gz CHZCYYNKINEQEM-HUUCEWRRSA-N 1 0 383.493 -1.379 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423255555 1074047216 /nfs/dbraw/zinc/04/72/16/1074047216.db2.gz CHZCYYNKINEQEM-LSDHHAIUSA-N 1 0 383.493 -1.379 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423255563 1074047144 /nfs/dbraw/zinc/04/71/44/1074047144.db2.gz CJYAUSWMXNQBDI-HNNXBMFYSA-N 1 0 397.520 -1.179 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423255564 1074047177 /nfs/dbraw/zinc/04/71/77/1074047177.db2.gz CJYAUSWMXNQBDI-OAHLLOKOSA-N 1 0 397.520 -1.179 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423256035 1074047222 /nfs/dbraw/zinc/04/72/22/1074047222.db2.gz DGBOHUOGCMAFSI-HNNXBMFYSA-N 1 0 397.520 -1.118 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423256036 1074047267 /nfs/dbraw/zinc/04/72/67/1074047267.db2.gz DGBOHUOGCMAFSI-OAHLLOKOSA-N 1 0 397.520 -1.118 20 0 GAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CCO1 ZINC000423256062 1074047204 /nfs/dbraw/zinc/04/72/04/1074047204.db2.gz DHPRSJKGQCNXHU-INIZCTEOSA-N 1 0 395.504 -1.234 20 0 GAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CCO1 ZINC000423256063 1074047575 /nfs/dbraw/zinc/04/75/75/1074047575.db2.gz DHPRSJKGQCNXHU-MRXNPFEDSA-N 1 0 395.504 -1.234 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423256066 1074047724 /nfs/dbraw/zinc/04/77/24/1074047724.db2.gz DINXGRFFJNOYGQ-HRCADAONSA-N 1 0 395.504 -1.650 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423256067 1074047544 /nfs/dbraw/zinc/04/75/44/1074047544.db2.gz DINXGRFFJNOYGQ-OAGGEKHMSA-N 1 0 395.504 -1.650 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423257253 1074047673 /nfs/dbraw/zinc/04/76/73/1074047673.db2.gz IJHXGRRSWQTWHX-CABCVRRESA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423257254 1074047586 /nfs/dbraw/zinc/04/75/86/1074047586.db2.gz IJHXGRRSWQTWHX-GJZGRUSLSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423257255 1074047747 /nfs/dbraw/zinc/04/77/47/1074047747.db2.gz IJHXGRRSWQTWHX-HUUCEWRRSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423257256 1074047647 /nfs/dbraw/zinc/04/76/47/1074047647.db2.gz IJHXGRRSWQTWHX-LSDHHAIUSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423257601 1074047486 /nfs/dbraw/zinc/04/74/86/1074047486.db2.gz KHTUHOOYENEVSP-BZUAXINKSA-N 1 0 395.504 -1.413 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423257602 1074047518 /nfs/dbraw/zinc/04/75/18/1074047518.db2.gz KHTUHOOYENEVSP-OAGGEKHMSA-N 1 0 395.504 -1.413 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423257603 1074047784 /nfs/dbraw/zinc/04/77/84/1074047784.db2.gz KHTUHOOYENEVSP-OWCLPIDISA-N 1 0 395.504 -1.413 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423257604 1074047802 /nfs/dbraw/zinc/04/78/02/1074047802.db2.gz KHTUHOOYENEVSP-XHSDSOJGSA-N 1 0 395.504 -1.413 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423257625 1074047692 /nfs/dbraw/zinc/04/76/92/1074047692.db2.gz KJLQIUNBGSNANC-HNNXBMFYSA-N 1 0 395.504 -1.412 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423257626 1074047626 /nfs/dbraw/zinc/04/76/26/1074047626.db2.gz KJLQIUNBGSNANC-OAHLLOKOSA-N 1 0 395.504 -1.412 20 0 GAADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423258206 1074047764 /nfs/dbraw/zinc/04/77/64/1074047764.db2.gz LPXYXAOWJMDBSJ-GDBMZVCRSA-N 1 0 395.504 -1.236 20 0 GAADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423258207 1074047775 /nfs/dbraw/zinc/04/77/75/1074047775.db2.gz LPXYXAOWJMDBSJ-GOEBONIOSA-N 1 0 395.504 -1.236 20 0 GAADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423258208 1074047715 /nfs/dbraw/zinc/04/77/15/1074047715.db2.gz LPXYXAOWJMDBSJ-HOCLYGCPSA-N 1 0 395.504 -1.236 20 0 GAADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423258209 1074047617 /nfs/dbraw/zinc/04/76/17/1074047617.db2.gz LPXYXAOWJMDBSJ-ZBFHGGJFSA-N 1 0 395.504 -1.236 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423259151 1074047736 /nfs/dbraw/zinc/04/77/36/1074047736.db2.gz NQKDSPVHEZPCOL-CABCVRRESA-N 1 0 381.477 -1.672 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423259152 1074048011 /nfs/dbraw/zinc/04/80/11/1074048011.db2.gz NQKDSPVHEZPCOL-GJZGRUSLSA-N 1 0 381.477 -1.672 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423259253 1074047605 /nfs/dbraw/zinc/04/76/05/1074047605.db2.gz NQKDSPVHEZPCOL-HUUCEWRRSA-N 1 0 381.477 -1.672 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423259254 1074047558 /nfs/dbraw/zinc/04/75/58/1074047558.db2.gz NQKDSPVHEZPCOL-LSDHHAIUSA-N 1 0 381.477 -1.672 20 0 GAADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000423259606 1074048088 /nfs/dbraw/zinc/04/80/88/1074048088.db2.gz ONMGBDGSQOIPLV-HNNXBMFYSA-N 1 0 383.493 -1.554 20 0 GAADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000423259607 1074048048 /nfs/dbraw/zinc/04/80/48/1074048048.db2.gz ONMGBDGSQOIPLV-OAHLLOKOSA-N 1 0 383.493 -1.554 20 0 GAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)C1 ZINC000423261198 1074047965 /nfs/dbraw/zinc/04/79/65/1074047965.db2.gz RRMLCYMOAVMDRS-CVEARBPZSA-N 1 0 397.520 -1.118 20 0 GAADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1 ZINC000423261199 1074048015 /nfs/dbraw/zinc/04/80/15/1074048015.db2.gz RRMLCYMOAVMDRS-HOTGVXAUSA-N 1 0 397.520 -1.118 20 0 GAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)C1 ZINC000423261200 1074047994 /nfs/dbraw/zinc/04/79/94/1074047994.db2.gz RRMLCYMOAVMDRS-HZPDHXFCSA-N 1 0 397.520 -1.118 20 0 GAADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1 ZINC000423261201 1074046893 /nfs/dbraw/zinc/04/68/93/1074046893.db2.gz RRMLCYMOAVMDRS-JKSUJKDBSA-N 1 0 397.520 -1.118 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000423261936 1074046728 /nfs/dbraw/zinc/04/67/28/1074046728.db2.gz UBLZOROTLBIOBW-ILXRZTDVSA-N 1 0 381.477 -1.817 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000423261937 1074046834 /nfs/dbraw/zinc/04/68/34/1074046834.db2.gz UBLZOROTLBIOBW-KFWWJZLASA-N 1 0 381.477 -1.817 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423261938 1074046648 /nfs/dbraw/zinc/04/66/48/1074046648.db2.gz UBLZOROTLBIOBW-QLFBSQMISA-N 1 0 381.477 -1.817 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423261939 1074046821 /nfs/dbraw/zinc/04/68/21/1074046821.db2.gz UBLZOROTLBIOBW-RBSFLKMASA-N 1 0 381.477 -1.817 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423262716 1074046873 /nfs/dbraw/zinc/04/68/73/1074046873.db2.gz VWRVJUGVJPDHPF-CABCVRRESA-N 1 0 383.493 -1.508 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423262721 1074046843 /nfs/dbraw/zinc/04/68/43/1074046843.db2.gz VWRVJUGVJPDHPF-GJZGRUSLSA-N 1 0 383.493 -1.508 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423262722 1074046682 /nfs/dbraw/zinc/04/66/82/1074046682.db2.gz VWRVJUGVJPDHPF-HUUCEWRRSA-N 1 0 383.493 -1.508 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423262723 1074046914 /nfs/dbraw/zinc/04/69/14/1074046914.db2.gz VWRVJUGVJPDHPF-LSDHHAIUSA-N 1 0 383.493 -1.508 20 0 GAADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)C1 ZINC000423263661 1074046661 /nfs/dbraw/zinc/04/66/61/1074046661.db2.gz XIUAZXZGSGFWOT-CABCVRRESA-N 1 0 383.493 -1.508 20 0 GAADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1 ZINC000423263662 1074046739 /nfs/dbraw/zinc/04/67/39/1074046739.db2.gz XIUAZXZGSGFWOT-GJZGRUSLSA-N 1 0 383.493 -1.508 20 0 GAADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)C1 ZINC000423263663 1074046768 /nfs/dbraw/zinc/04/67/68/1074046768.db2.gz XIUAZXZGSGFWOT-HUUCEWRRSA-N 1 0 383.493 -1.508 20 0 GAADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1 ZINC000423263664 1074046903 /nfs/dbraw/zinc/04/69/03/1074046903.db2.gz XIUAZXZGSGFWOT-LSDHHAIUSA-N 1 0 383.493 -1.508 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423264142 1074046753 /nfs/dbraw/zinc/04/67/53/1074046753.db2.gz YFPCACCHXNZLAS-HRCADAONSA-N 1 0 397.520 -1.133 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423264143 1074046776 /nfs/dbraw/zinc/04/67/76/1074046776.db2.gz YFPCACCHXNZLAS-JYJNAYRXSA-N 1 0 397.520 -1.133 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423264144 1074046866 /nfs/dbraw/zinc/04/68/66/1074046866.db2.gz YFPCACCHXNZLAS-OWCLPIDISA-N 1 0 397.520 -1.133 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423264145 1074046857 /nfs/dbraw/zinc/04/68/57/1074046857.db2.gz YFPCACCHXNZLAS-PMPSAXMXSA-N 1 0 397.520 -1.133 20 0 GAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423266792 1074048200 /nfs/dbraw/zinc/04/82/00/1074048200.db2.gz SEMTURAXJLSRMD-HNNXBMFYSA-N 1 0 383.493 -1.554 20 0 GAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423266793 1074048113 /nfs/dbraw/zinc/04/81/13/1074048113.db2.gz SEMTURAXJLSRMD-OAHLLOKOSA-N 1 0 383.493 -1.554 20 0 GAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC000423273318 530111810 /nfs/dbraw/zinc/11/18/10/530111810.db2.gz KXPWYEGPGRQOPN-UHFFFAOYSA-N 1 0 387.487 -1.284 20 0 GAADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000423279111 530081743 /nfs/dbraw/zinc/08/17/43/530081743.db2.gz RZQHJJRYTQKGEH-UHFFFAOYSA-N 1 0 389.503 -1.038 20 0 GAADRO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000423307467 1074048250 /nfs/dbraw/zinc/04/82/50/1074048250.db2.gz NFIWSXCUCFSZFJ-ILXRZTDVSA-N 1 0 393.488 -1.218 20 0 GAADRO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 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/nfs/dbraw/zinc/05/39/27/1074053927.db2.gz KUZQWHISLUUZTL-ZDUSSCGKSA-N 1 0 381.458 -1.265 20 0 GAADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000423606313 1074054156 /nfs/dbraw/zinc/05/41/56/1074054156.db2.gz KBXKPVOKHDJUPL-AWEZNQCLSA-N 1 0 379.461 -1.510 20 0 GAADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000423606319 1074054163 /nfs/dbraw/zinc/05/41/63/1074054163.db2.gz KBXKPVOKHDJUPL-CQSZACIVSA-N 1 0 379.461 -1.510 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423609146 1074054484 /nfs/dbraw/zinc/05/44/84/1074054484.db2.gz OWFGHKBUFKKSAM-CABCVRRESA-N 1 0 383.493 -1.508 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423609147 1074054395 /nfs/dbraw/zinc/05/43/95/1074054395.db2.gz OWFGHKBUFKKSAM-GJZGRUSLSA-N 1 0 383.493 -1.508 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423609148 1074054608 /nfs/dbraw/zinc/05/46/08/1074054608.db2.gz OWFGHKBUFKKSAM-HUUCEWRRSA-N 1 0 383.493 -1.508 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423609149 1074054465 /nfs/dbraw/zinc/05/44/65/1074054465.db2.gz OWFGHKBUFKKSAM-LSDHHAIUSA-N 1 0 383.493 -1.508 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000423609220 1074054506 /nfs/dbraw/zinc/05/45/06/1074054506.db2.gz KWWPIONWLKFMDO-AWEZNQCLSA-N 1 0 390.506 -1.293 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000423609221 1074054318 /nfs/dbraw/zinc/05/43/18/1074054318.db2.gz KWWPIONWLKFMDO-CQSZACIVSA-N 1 0 390.506 -1.293 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423609806 1074054144 /nfs/dbraw/zinc/05/41/44/1074054144.db2.gz LQTVPJIOAIVSMQ-UHFFFAOYSA-N 1 0 390.506 -1.293 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)no1 ZINC000423610416 1074879595 /nfs/dbraw/zinc/87/95/95/1074879595.db2.gz QVJVJRDSHDIFIU-GFCCVEGCSA-N 1 0 378.433 -1.114 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)no1 ZINC000423610417 1074054585 /nfs/dbraw/zinc/05/45/85/1074054585.db2.gz QVJVJRDSHDIFIU-LBPRGKRZSA-N 1 0 378.433 -1.114 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)no1 ZINC000423610610 1074054642 /nfs/dbraw/zinc/05/46/42/1074054642.db2.gz MSGALQAAXVAOHZ-UHFFFAOYSA-N 1 0 378.433 -1.112 20 0 GAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000423611552 1074054538 /nfs/dbraw/zinc/05/45/38/1074054538.db2.gz SCEPZTMVBLGZIR-CYBMUJFWSA-N 1 0 389.478 -2.472 20 0 GAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000423611553 1074054367 /nfs/dbraw/zinc/05/43/67/1074054367.db2.gz SCEPZTMVBLGZIR-ZDUSSCGKSA-N 1 0 389.478 -2.472 20 0 GAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000423612061 1074054558 /nfs/dbraw/zinc/05/45/58/1074054558.db2.gz TTYFTJHAMDGSHQ-CYBMUJFWSA-N 1 0 395.485 -1.197 20 0 GAADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000423612063 1074054443 /nfs/dbraw/zinc/05/44/43/1074054443.db2.gz TTYFTJHAMDGSHQ-ZDUSSCGKSA-N 1 0 395.485 -1.197 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423612553 1074054627 /nfs/dbraw/zinc/05/46/27/1074054627.db2.gz ULHSCIUQCRVSPA-KBPBESRZSA-N 1 0 390.506 -1.294 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423612554 1074054618 /nfs/dbraw/zinc/05/46/18/1074054618.db2.gz ULHSCIUQCRVSPA-KGLIPLIRSA-N 1 0 390.506 -1.294 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423612556 1074054596 /nfs/dbraw/zinc/05/45/96/1074054596.db2.gz ULHSCIUQCRVSPA-UONOGXRCSA-N 1 0 390.506 -1.294 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423612559 1074054418 /nfs/dbraw/zinc/05/44/18/1074054418.db2.gz ULHSCIUQCRVSPA-ZIAGYGMSSA-N 1 0 390.506 -1.294 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423614006 530111799 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383.493 -1.506 20 0 GAADRO COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423617631 1074055368 /nfs/dbraw/zinc/05/53/68/1074055368.db2.gz WCJQYVOMHBVDOG-KBPBESRZSA-N 1 0 384.502 -1.143 20 0 GAADRO COC(=O)[C@H]1CSCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423617632 1074055584 /nfs/dbraw/zinc/05/55/84/1074055584.db2.gz WCJQYVOMHBVDOG-KGLIPLIRSA-N 1 0 384.502 -1.143 20 0 GAADRO COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423617634 1074055502 /nfs/dbraw/zinc/05/55/02/1074055502.db2.gz WCJQYVOMHBVDOG-UONOGXRCSA-N 1 0 384.502 -1.143 20 0 GAADRO COC(=O)[C@H]1CSCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423617635 1074055471 /nfs/dbraw/zinc/05/54/71/1074055471.db2.gz WCJQYVOMHBVDOG-ZIAGYGMSSA-N 1 0 384.502 -1.143 20 0 GAADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000423617721 1074055130 /nfs/dbraw/zinc/05/51/30/1074055130.db2.gz TUWAJUIQJIEPMP-HNNXBMFYSA-N 1 0 381.477 -1.800 20 0 GAADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000423617727 1074055074 /nfs/dbraw/zinc/05/50/74/1074055074.db2.gz TUWAJUIQJIEPMP-OAHLLOKOSA-N 1 0 381.477 -1.800 20 0 GAADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000423620157 1074056542 /nfs/dbraw/zinc/05/65/42/1074056542.db2.gz WCTBPHMBMFSMKJ-AWEZNQCLSA-N 1 0 395.460 -2.274 20 0 GAADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000423620158 1074056505 /nfs/dbraw/zinc/05/65/05/1074056505.db2.gz WCTBPHMBMFSMKJ-CQSZACIVSA-N 1 0 395.460 -2.274 20 0 GAADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000423620415 1074056371 /nfs/dbraw/zinc/05/63/71/1074056371.db2.gz WFKIEHMYFQUZTI-UHFFFAOYSA-N 1 0 387.506 -2.015 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423620900 1074056400 /nfs/dbraw/zinc/05/64/00/1074056400.db2.gz KMBWCWJDBNPESH-CVEARBPZSA-N 1 0 395.504 -1.282 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 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/nfs/dbraw/zinc/05/69/01/1074056901.db2.gz DQAWTSXCPBMDKN-XHSDSOJGSA-N 1 0 397.520 -1.119 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)N1CCO ZINC000423627678 1074056998 /nfs/dbraw/zinc/05/69/98/1074056998.db2.gz ISDFLCXCKHZBCW-QLFBSQMISA-N 1 0 383.493 -1.787 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)N1CCO ZINC000423627679 1074056763 /nfs/dbraw/zinc/05/67/63/1074056763.db2.gz ISDFLCXCKHZBCW-ZNMIVQPWSA-N 1 0 383.493 -1.787 20 0 GAADRO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423629977 1074055893 /nfs/dbraw/zinc/05/58/93/1074055893.db2.gz YBTAGXKVEZEIDC-UHFFFAOYSA-N 1 0 388.421 -1.258 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423632192 1074055880 /nfs/dbraw/zinc/05/58/80/1074055880.db2.gz ITJNPLWXJMPGIR-GASCZTMLSA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)[C@H](C)C[NH2+]1 ZINC000423632772 1074055844 /nfs/dbraw/zinc/05/58/44/1074055844.db2.gz OOQPJEHOSKEDMO-CHWSQXEVSA-N 1 0 393.444 -1.985 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)[C@@H](C)C[NH2+]1 ZINC000423632777 1074055781 /nfs/dbraw/zinc/05/57/81/1074055781.db2.gz OOQPJEHOSKEDMO-OLZOCXBDSA-N 1 0 393.444 -1.985 20 0 GAADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000423632778 1074055914 /nfs/dbraw/zinc/05/59/14/1074055914.db2.gz OOQPJEHOSKEDMO-QWHCGFSZSA-N 1 0 393.444 -1.985 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)[C@@H](C)C[NH2+]1 ZINC000423632779 1074055927 /nfs/dbraw/zinc/05/59/27/1074055927.db2.gz OOQPJEHOSKEDMO-STQMWFEESA-N 1 0 393.444 -1.985 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000423635815 1074055911 /nfs/dbraw/zinc/05/59/11/1074055911.db2.gz ASOHZOYXBJIEPS-CABCVRRESA-N 1 0 381.477 -1.672 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000423635816 1074055959 /nfs/dbraw/zinc/05/59/59/1074055959.db2.gz ASOHZOYXBJIEPS-GJZGRUSLSA-N 1 0 381.477 -1.672 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423635817 1074055799 /nfs/dbraw/zinc/05/57/99/1074055799.db2.gz ASOHZOYXBJIEPS-HUUCEWRRSA-N 1 0 381.477 -1.672 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423635818 1074055835 /nfs/dbraw/zinc/05/58/35/1074055835.db2.gz ASOHZOYXBJIEPS-LSDHHAIUSA-N 1 0 381.477 -1.672 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423649524 530111969 /nfs/dbraw/zinc/11/19/69/530111969.db2.gz PNHLIEIGSBNMON-CYBMUJFWSA-N 1 0 376.479 -1.553 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000423649526 530111950 /nfs/dbraw/zinc/11/19/50/530111950.db2.gz PNHLIEIGSBNMON-ZDUSSCGKSA-N 1 0 376.479 -1.553 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423649640 1074056946 /nfs/dbraw/zinc/05/69/46/1074056946.db2.gz JYELZODSWXGOJP-KBPBESRZSA-N 1 0 390.506 -1.307 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423649641 1074056928 /nfs/dbraw/zinc/05/69/28/1074056928.db2.gz JYELZODSWXGOJP-KGLIPLIRSA-N 1 0 390.506 -1.307 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423649643 1074056816 /nfs/dbraw/zinc/05/68/16/1074056816.db2.gz JYELZODSWXGOJP-UONOGXRCSA-N 1 0 390.506 -1.307 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423649645 1074056936 /nfs/dbraw/zinc/05/69/36/1074056936.db2.gz JYELZODSWXGOJP-ZIAGYGMSSA-N 1 0 390.506 -1.307 20 0 GAADRO CC(C)N1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1=O ZINC000423655010 1074056917 /nfs/dbraw/zinc/05/69/17/1074056917.db2.gz BDJKCEFNHFOMBC-AWEZNQCLSA-N 1 0 381.477 -1.088 20 0 GAADRO CC(C)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1=O ZINC000423655018 1074056860 /nfs/dbraw/zinc/05/68/60/1074056860.db2.gz BDJKCEFNHFOMBC-CQSZACIVSA-N 1 0 381.477 -1.088 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423655179 1074057505 /nfs/dbraw/zinc/05/75/05/1074057505.db2.gz RULCXZOUQLRZPV-KBPBESRZSA-N 1 0 390.506 -1.294 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423655180 1074057332 /nfs/dbraw/zinc/05/73/32/1074057332.db2.gz RULCXZOUQLRZPV-KGLIPLIRSA-N 1 0 390.506 -1.294 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423655181 1074057539 /nfs/dbraw/zinc/05/75/39/1074057539.db2.gz RULCXZOUQLRZPV-UONOGXRCSA-N 1 0 390.506 -1.294 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423655182 1074057025 /nfs/dbraw/zinc/05/70/25/1074057025.db2.gz RULCXZOUQLRZPV-ZIAGYGMSSA-N 1 0 390.506 -1.294 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423656469 1074057442 /nfs/dbraw/zinc/05/74/42/1074057442.db2.gz UIKJEYOZSNSHGP-HRCADAONSA-N 1 0 397.520 -1.133 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423656470 1074057376 /nfs/dbraw/zinc/05/73/76/1074057376.db2.gz UIKJEYOZSNSHGP-JYJNAYRXSA-N 1 0 397.520 -1.133 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423656471 1074057391 /nfs/dbraw/zinc/05/73/91/1074057391.db2.gz UIKJEYOZSNSHGP-OWCLPIDISA-N 1 0 397.520 -1.133 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423656472 1074057523 /nfs/dbraw/zinc/05/75/23/1074057523.db2.gz UIKJEYOZSNSHGP-PMPSAXMXSA-N 1 0 397.520 -1.133 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@@H](C)O1 ZINC000423658073 1074057531 /nfs/dbraw/zinc/05/75/31/1074057531.db2.gz CTBNGDJUNIYKOK-HZSPNIEDSA-N 1 0 398.460 -1.379 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@@H](C)O1 ZINC000423658075 1074057545 /nfs/dbraw/zinc/05/75/45/1074057545.db2.gz CTBNGDJUNIYKOK-MGPQQGTHSA-N 1 0 398.460 -1.379 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423659214 1074057419 /nfs/dbraw/zinc/05/74/19/1074057419.db2.gz HTLMSYNNXQICGK-HNNXBMFYSA-N 1 0 393.488 -1.120 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659217 1074057411 /nfs/dbraw/zinc/05/74/11/1074057411.db2.gz HTLMSYNNXQICGK-OAHLLOKOSA-N 1 0 393.488 -1.120 20 0 GAADRO CC(C)(O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423659335 1074057466 /nfs/dbraw/zinc/05/74/66/1074057466.db2.gz DVJPIXLIAHUQGL-HNNXBMFYSA-N 1 0 397.520 -1.252 20 0 GAADRO CC(C)(O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423659339 1074057426 /nfs/dbraw/zinc/05/74/26/1074057426.db2.gz DVJPIXLIAHUQGL-OAHLLOKOSA-N 1 0 397.520 -1.252 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423659941 1074057452 /nfs/dbraw/zinc/05/74/52/1074057452.db2.gz IXXSPNMMMYAHCQ-INIZCTEOSA-N 1 0 395.504 -1.410 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659945 1074057485 /nfs/dbraw/zinc/05/74/85/1074057485.db2.gz IXXSPNMMMYAHCQ-MRXNPFEDSA-N 1 0 395.504 -1.410 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)NCCOC)CC1)[C@H]1CC[NH2+]C1 ZINC000423661454 1074057358 /nfs/dbraw/zinc/05/73/58/1074057358.db2.gz LLHDVYVFINWVHX-HNNXBMFYSA-N 1 0 383.493 -1.506 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)NCCOC)CC1)[C@@H]1CC[NH2+]C1 ZINC000423661456 1074057370 /nfs/dbraw/zinc/05/73/70/1074057370.db2.gz LLHDVYVFINWVHX-OAHLLOKOSA-N 1 0 383.493 -1.506 20 0 GAADRO CN(C(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423661628 1074057495 /nfs/dbraw/zinc/05/74/95/1074057495.db2.gz CHLKKLNCKZUNJO-GJZGRUSLSA-N 1 0 378.404 -1.212 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000423662149 1074057696 /nfs/dbraw/zinc/05/76/96/1074057696.db2.gz DETFMGSOMWICGN-ILXRZTDVSA-N 1 0 397.476 -2.831 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000423662150 1074057755 /nfs/dbraw/zinc/05/77/55/1074057755.db2.gz DETFMGSOMWICGN-KKUMJFAQSA-N 1 0 397.476 -2.831 20 0 GAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423662819 1074057885 /nfs/dbraw/zinc/05/78/85/1074057885.db2.gz FVTDAFWHFRQYBV-CVEARBPZSA-N 1 0 397.520 -1.036 20 0 GAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423662826 1074057788 /nfs/dbraw/zinc/05/77/88/1074057788.db2.gz FVTDAFWHFRQYBV-HOTGVXAUSA-N 1 0 397.520 -1.036 20 0 GAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423662829 1074057811 /nfs/dbraw/zinc/05/78/11/1074057811.db2.gz FVTDAFWHFRQYBV-HZPDHXFCSA-N 1 0 397.520 -1.036 20 0 GAADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423662831 1074057829 /nfs/dbraw/zinc/05/78/29/1074057829.db2.gz FVTDAFWHFRQYBV-JKSUJKDBSA-N 1 0 397.520 -1.036 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000423662986 1074057400 /nfs/dbraw/zinc/05/74/00/1074057400.db2.gz CLWHSOZKWUGJHX-KBPBESRZSA-N 1 0 381.477 -1.090 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000423662989 1074057347 /nfs/dbraw/zinc/05/73/47/1074057347.db2.gz CLWHSOZKWUGJHX-KGLIPLIRSA-N 1 0 381.477 -1.090 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000423662991 1074057730 /nfs/dbraw/zinc/05/77/30/1074057730.db2.gz CLWHSOZKWUGJHX-UONOGXRCSA-N 1 0 381.477 -1.090 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000423662992 1074057782 /nfs/dbraw/zinc/05/77/82/1074057782.db2.gz CLWHSOZKWUGJHX-ZIAGYGMSSA-N 1 0 381.477 -1.090 20 0 GAADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)cc1 ZINC000423663196 1074057838 /nfs/dbraw/zinc/05/78/38/1074057838.db2.gz GFBMSSBHYLWORZ-HOTGVXAUSA-N 1 0 390.440 -1.229 20 0 GAADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)c1 ZINC000423663544 1074057799 /nfs/dbraw/zinc/05/77/99/1074057799.db2.gz GRPWBVDXLHXCKH-HOTGVXAUSA-N 1 0 390.440 -1.229 20 0 GAADRO CN(C(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423663584 1074057851 /nfs/dbraw/zinc/05/78/51/1074057851.db2.gz GUIOKSCFCDMZLR-GJZGRUSLSA-N 1 0 378.404 -1.099 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423664281 1074057762 /nfs/dbraw/zinc/05/77/62/1074057762.db2.gz PBFNYMAGVMATMF-CYBMUJFWSA-N 1 0 378.437 -2.056 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H]1CC[NH2+]C1 ZINC000423664288 1074057717 /nfs/dbraw/zinc/05/77/17/1074057717.db2.gz PBFNYMAGVMATMF-ZDUSSCGKSA-N 1 0 378.437 -2.056 20 0 GAADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000423664965 1074057704 /nfs/dbraw/zinc/05/77/04/1074057704.db2.gz FYAJHTZYAPTJKW-CHWSQXEVSA-N 1 0 378.437 -1.928 20 0 GAADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000423664966 1074057824 /nfs/dbraw/zinc/05/78/24/1074057824.db2.gz FYAJHTZYAPTJKW-OLZOCXBDSA-N 1 0 378.437 -1.928 20 0 GAADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000423664967 1074057875 /nfs/dbraw/zinc/05/78/75/1074057875.db2.gz FYAJHTZYAPTJKW-QWHCGFSZSA-N 1 0 378.437 -1.928 20 0 GAADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000423664968 1074057864 /nfs/dbraw/zinc/05/78/64/1074057864.db2.gz FYAJHTZYAPTJKW-STQMWFEESA-N 1 0 378.437 -1.928 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423665771 1074057895 /nfs/dbraw/zinc/05/78/95/1074057895.db2.gz RAFBPOPHFVXKMP-INIZCTEOSA-N 1 0 395.504 -1.410 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423665772 1074057740 /nfs/dbraw/zinc/05/77/40/1074057740.db2.gz RAFBPOPHFVXKMP-MRXNPFEDSA-N 1 0 395.504 -1.410 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000423665803 1074057747 /nfs/dbraw/zinc/05/77/47/1074057747.db2.gz RDKGKDXJMYOHIX-AWEZNQCLSA-N 1 0 381.477 -1.218 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423665804 1074058196 /nfs/dbraw/zinc/05/81/96/1074058196.db2.gz RDKGKDXJMYOHIX-CQSZACIVSA-N 1 0 381.477 -1.218 20 0 GAADRO NC(=O)CN1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1=O ZINC000423666759 1074058299 /nfs/dbraw/zinc/05/82/99/1074058299.db2.gz IRFVTSCXTWIKPF-UHFFFAOYSA-N 1 0 375.429 -1.480 20 0 GAADRO CN(C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423666818 1074058243 /nfs/dbraw/zinc/05/82/43/1074058243.db2.gz MKOIDRVLMMNMRJ-GJZGRUSLSA-N 1 0 375.429 -1.775 20 0 GAADRO CN(C(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423666819 1074058383 /nfs/dbraw/zinc/05/83/83/1074058383.db2.gz MKZIQNDIMZHTKL-GJZGRUSLSA-N 1 0 376.413 -1.532 20 0 GAADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000423668813 1074058217 /nfs/dbraw/zinc/05/82/17/1074058217.db2.gz LJKLUJWZANWKGC-AWEZNQCLSA-N 1 0 379.461 -1.334 20 0 GAADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000423668814 1074058229 /nfs/dbraw/zinc/05/82/29/1074058229.db2.gz LJKLUJWZANWKGC-CQSZACIVSA-N 1 0 379.461 -1.334 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423669533 1074058360 /nfs/dbraw/zinc/05/83/60/1074058360.db2.gz YHEJLWVRPLNFRG-AWEZNQCLSA-N 1 0 379.461 -1.464 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423669535 1074058308 /nfs/dbraw/zinc/05/83/08/1074058308.db2.gz YHEJLWVRPLNFRG-CQSZACIVSA-N 1 0 379.461 -1.464 20 0 GAADRO CN(C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423669567 1074058129 /nfs/dbraw/zinc/05/81/29/1074058129.db2.gz SMJOPRIMLZHODI-GJZGRUSLSA-N 1 0 396.469 -1.689 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423669639 1074058279 /nfs/dbraw/zinc/05/82/79/1074058279.db2.gz LOJHHRVFTPNZEP-ARFHVFGLSA-N 1 0 395.504 -1.521 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423669641 1074058416 /nfs/dbraw/zinc/05/84/16/1074058416.db2.gz LOJHHRVFTPNZEP-HRCADAONSA-N 1 0 395.504 -1.521 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423669643 1074058290 /nfs/dbraw/zinc/05/82/90/1074058290.db2.gz LOJHHRVFTPNZEP-JYJNAYRXSA-N 1 0 395.504 -1.521 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423669644 1074058351 /nfs/dbraw/zinc/05/83/51/1074058351.db2.gz LOJHHRVFTPNZEP-XHSDSOJGSA-N 1 0 395.504 -1.521 20 0 GAADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000423672131 1074058318 /nfs/dbraw/zinc/05/83/18/1074058318.db2.gz NUMFEVJRFAKPKD-CYBMUJFWSA-N 1 0 389.478 -2.343 20 0 GAADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000423672135 1074058205 /nfs/dbraw/zinc/05/82/05/1074058205.db2.gz NUMFEVJRFAKPKD-ZDUSSCGKSA-N 1 0 389.478 -2.343 20 0 GAADRO Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)cc1 ZINC000423672337 1074058850 /nfs/dbraw/zinc/05/88/50/1074058850.db2.gz YBMRZIWCMKHXSF-IRXDYDNUSA-N 1 0 388.468 -1.001 20 0 GAADRO CN(C(=O)C(=O)N1CCN(C(=O)c2ccccc2O)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423672924 1074058258 /nfs/dbraw/zinc/05/82/58/1074058258.db2.gz ZHPAZELAHDGSED-ZFWWWQNUSA-N 1 0 376.413 -1.532 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423674448 1074058879 /nfs/dbraw/zinc/05/88/79/1074058879.db2.gz PDWUGOIXBVMTJM-HNNXBMFYSA-N 1 0 383.493 -1.377 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423674453 1074058916 /nfs/dbraw/zinc/05/89/16/1074058916.db2.gz PDWUGOIXBVMTJM-OAHLLOKOSA-N 1 0 383.493 -1.377 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000423675840 1074058803 /nfs/dbraw/zinc/05/88/03/1074058803.db2.gz IQOIDTNXQXFUFW-STQMWFEESA-N 1 0 392.478 -2.712 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000423675978 1074058655 /nfs/dbraw/zinc/05/86/55/1074058655.db2.gz IIOIEEJGPPWXRU-CYBMUJFWSA-N 1 0 395.485 -1.197 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000423675980 1074058934 /nfs/dbraw/zinc/05/89/34/1074058934.db2.gz IIOIEEJGPPWXRU-ZDUSSCGKSA-N 1 0 395.485 -1.197 20 0 GAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC12COC2 ZINC000423678516 1074058905 /nfs/dbraw/zinc/05/89/05/1074058905.db2.gz SRMNBZNYFQPUHH-IHRRRGAJSA-N 1 0 383.445 -1.011 20 0 GAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC12COC2 ZINC000423678523 1074058624 /nfs/dbraw/zinc/05/86/24/1074058624.db2.gz SRMNBZNYFQPUHH-MCIONIFRSA-N 1 0 383.445 -1.011 20 0 GAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC12COC2 ZINC000423678524 1074058719 /nfs/dbraw/zinc/05/87/19/1074058719.db2.gz SRMNBZNYFQPUHH-MJBXVCDLSA-N 1 0 383.445 -1.011 20 0 GAADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC12COC2 ZINC000423678526 1074058771 /nfs/dbraw/zinc/05/87/71/1074058771.db2.gz SRMNBZNYFQPUHH-RDBSUJKOSA-N 1 0 383.445 -1.011 20 0 GAADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000423679636 1074059372 /nfs/dbraw/zinc/05/93/72/1074059372.db2.gz LZINCSOKVURKFN-TUUVXOQKSA-N 1 0 396.467 -1.418 20 0 GAADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)s1 ZINC000423681404 1074059357 /nfs/dbraw/zinc/05/93/57/1074059357.db2.gz NGSCBFMSNUWAQX-RYUDHWBXSA-N 1 0 396.469 -1.026 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000423682931 1074059341 /nfs/dbraw/zinc/05/93/41/1074059341.db2.gz OOYLIUCKLXGHME-CABCVRRESA-N 1 0 383.493 -1.379 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000423682932 1074059232 /nfs/dbraw/zinc/05/92/32/1074059232.db2.gz OOYLIUCKLXGHME-GJZGRUSLSA-N 1 0 383.493 -1.379 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000423682933 1074059205 /nfs/dbraw/zinc/05/92/05/1074059205.db2.gz OOYLIUCKLXGHME-HUUCEWRRSA-N 1 0 383.493 -1.379 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000423682934 1074059314 /nfs/dbraw/zinc/05/93/14/1074059314.db2.gz OOYLIUCKLXGHME-LSDHHAIUSA-N 1 0 383.493 -1.379 20 0 GAADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000423682997 1074059400 /nfs/dbraw/zinc/05/94/00/1074059400.db2.gz PAVCQBOTACNNBV-GXTWGEPZSA-N 1 0 379.461 -1.336 20 0 GAADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000423682998 1074059332 /nfs/dbraw/zinc/05/93/32/1074059332.db2.gz PAVCQBOTACNNBV-JSGCOSHPSA-N 1 0 379.461 -1.336 20 0 GAADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000423682999 1074059348 /nfs/dbraw/zinc/05/93/48/1074059348.db2.gz PAVCQBOTACNNBV-OCCSQVGLSA-N 1 0 379.461 -1.336 20 0 GAADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000423683000 1074059322 /nfs/dbraw/zinc/05/93/22/1074059322.db2.gz PAVCQBOTACNNBV-TZMCWYRMSA-N 1 0 379.461 -1.336 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH2+]1 ZINC000423683203 1074059093 /nfs/dbraw/zinc/05/90/93/1074059093.db2.gz PYTXOHJOKKBRBE-GFCCVEGCSA-N 1 0 384.458 -1.009 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)CC[NH2+]1 ZINC000423683208 1074059215 /nfs/dbraw/zinc/05/92/15/1074059215.db2.gz PYTXOHJOKKBRBE-LBPRGKRZSA-N 1 0 384.458 -1.009 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)N1CCO ZINC000423683301 1074059155 /nfs/dbraw/zinc/05/91/55/1074059155.db2.gz TZCZHDBSXYGMFH-OWCLPIDISA-N 1 0 397.520 -1.254 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)N1CCO ZINC000423683303 1074059268 /nfs/dbraw/zinc/05/92/68/1074059268.db2.gz TZCZHDBSXYGMFH-XHSDSOJGSA-N 1 0 397.520 -1.254 20 0 GAADRO CN(C(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423687528 1074059244 /nfs/dbraw/zinc/05/92/44/1074059244.db2.gz VPXXQGUVYOLZHV-MHORFTMASA-N 1 0 388.468 -1.111 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1=O ZINC000423689744 1074059407 /nfs/dbraw/zinc/05/94/07/1074059407.db2.gz YDPYVTMQXJUFNB-AWEZNQCLSA-N 1 0 397.476 -1.850 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1=O ZINC000423689745 1074059137 /nfs/dbraw/zinc/05/91/37/1074059137.db2.gz YDPYVTMQXJUFNB-CQSZACIVSA-N 1 0 397.476 -1.850 20 0 GAADRO C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423690556 1074059185 /nfs/dbraw/zinc/05/91/85/1074059185.db2.gz YMTBDCVYTTUYBQ-CABCVRRESA-N 1 0 383.493 -1.643 20 0 GAADRO C[C@H](O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423690559 1074059822 /nfs/dbraw/zinc/05/98/22/1074059822.db2.gz YMTBDCVYTTUYBQ-GJZGRUSLSA-N 1 0 383.493 -1.643 20 0 GAADRO C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423690562 1074059839 /nfs/dbraw/zinc/05/98/39/1074059839.db2.gz YMTBDCVYTTUYBQ-HUUCEWRRSA-N 1 0 383.493 -1.643 20 0 GAADRO C[C@H](O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423690563 1074059663 /nfs/dbraw/zinc/05/96/63/1074059663.db2.gz YMTBDCVYTTUYBQ-LSDHHAIUSA-N 1 0 383.493 -1.643 20 0 GAADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000423693825 1074058328 /nfs/dbraw/zinc/05/83/28/1074058328.db2.gz AERFRJKDMZGVFW-CYBMUJFWSA-N 1 0 390.510 -2.572 20 0 GAADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000423693831 1074058394 /nfs/dbraw/zinc/05/83/94/1074058394.db2.gz AERFRJKDMZGVFW-ZDUSSCGKSA-N 1 0 390.510 -2.572 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423695748 530111767 /nfs/dbraw/zinc/11/17/67/530111767.db2.gz HCBMSLHMFIEBML-CYBMUJFWSA-N 1 0 378.495 -1.309 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423695751 530111770 /nfs/dbraw/zinc/11/17/70/530111770.db2.gz HCBMSLHMFIEBML-ZDUSSCGKSA-N 1 0 378.495 -1.309 20 0 GAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)CCO1 ZINC000423698223 1074058405 /nfs/dbraw/zinc/05/84/05/1074058405.db2.gz MOVIPSCGJBNTFR-CYBMUJFWSA-N 1 0 376.413 -1.137 20 0 GAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)CCO1 ZINC000423698224 1074058367 /nfs/dbraw/zinc/05/83/67/1074058367.db2.gz MOVIPSCGJBNTFR-ZDUSSCGKSA-N 1 0 376.413 -1.137 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423706395 1074059731 /nfs/dbraw/zinc/05/97/31/1074059731.db2.gz BKQXEJJKQZZAFV-OAGGEKHMSA-N 1 0 395.504 -1.508 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423706396 1074059806 /nfs/dbraw/zinc/05/98/06/1074059806.db2.gz BKQXEJJKQZZAFV-XHSDSOJGSA-N 1 0 395.504 -1.508 20 0 GAADRO C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000423707624 1074059884 /nfs/dbraw/zinc/05/98/84/1074059884.db2.gz LADDAYCHGNTXMT-CVEARBPZSA-N 1 0 395.504 -1.818 20 0 GAADRO C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000423707625 1074059773 /nfs/dbraw/zinc/05/97/73/1074059773.db2.gz LADDAYCHGNTXMT-HZPDHXFCSA-N 1 0 395.504 -1.818 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423708445 1074059909 /nfs/dbraw/zinc/05/99/09/1074059909.db2.gz GVHGHERVKPXOKJ-OAGGEKHMSA-N 1 0 393.488 -1.802 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423708446 1074059759 /nfs/dbraw/zinc/05/97/59/1074059759.db2.gz GVHGHERVKPXOKJ-XHSDSOJGSA-N 1 0 393.488 -1.802 20 0 GAADRO NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1=O ZINC000423714731 1074059918 /nfs/dbraw/zinc/05/99/18/1074059918.db2.gz SHZQLRDTKDJHHR-GXTWGEPZSA-N 1 0 391.403 -1.765 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000423715293 530111795 /nfs/dbraw/zinc/11/17/95/530111795.db2.gz HFXKXLOCUMJMPP-CHWSQXEVSA-N 1 0 378.495 -1.309 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000423715295 530111979 /nfs/dbraw/zinc/11/19/79/530111979.db2.gz HFXKXLOCUMJMPP-OLZOCXBDSA-N 1 0 378.495 -1.309 20 0 GAADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000423715297 530111804 /nfs/dbraw/zinc/11/18/04/530111804.db2.gz HFXKXLOCUMJMPP-QWHCGFSZSA-N 1 0 378.495 -1.309 20 0 GAADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000423715298 530112021 /nfs/dbraw/zinc/11/20/21/530112021.db2.gz HFXKXLOCUMJMPP-STQMWFEESA-N 1 0 378.495 -1.309 20 0 GAADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)no1 ZINC000423716694 1074879512 /nfs/dbraw/zinc/87/95/12/1074879512.db2.gz XVLSJHDVQQAYIX-KGLIPLIRSA-N 1 0 390.444 -1.114 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1c1nccn2cnnc12 ZINC000423717668 1074059701 /nfs/dbraw/zinc/05/97/01/1074059701.db2.gz ANIPOMWVQVMWEE-MCIONIFRSA-N 1 0 384.444 -1.018 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1c1nccn2cnnc12 ZINC000423717669 1074059813 /nfs/dbraw/zinc/05/98/13/1074059813.db2.gz ANIPOMWVQVMWEE-MJBXVCDLSA-N 1 0 384.444 -1.018 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423719439 1074060285 /nfs/dbraw/zinc/06/02/85/1074060285.db2.gz CAVPTKNNVSYFIS-KGLIPLIRSA-N 1 0 388.490 -1.683 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423721319 1074060230 /nfs/dbraw/zinc/06/02/30/1074060230.db2.gz DZVHYCZRBUMSRH-CVEARBPZSA-N 1 0 395.504 -1.425 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423721320 1074060171 /nfs/dbraw/zinc/06/01/71/1074060171.db2.gz DZVHYCZRBUMSRH-HOTGVXAUSA-N 1 0 395.504 -1.425 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423721321 1074060267 /nfs/dbraw/zinc/06/02/67/1074060267.db2.gz DZVHYCZRBUMSRH-HZPDHXFCSA-N 1 0 395.504 -1.425 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423721322 1074060216 /nfs/dbraw/zinc/06/02/16/1074060216.db2.gz DZVHYCZRBUMSRH-JKSUJKDBSA-N 1 0 395.504 -1.425 20 0 GAADRO NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1=O ZINC000423721781 1074060235 /nfs/dbraw/zinc/06/02/35/1074060235.db2.gz FXFWGORUXANEAN-KBPBESRZSA-N 1 0 379.461 -1.477 20 0 GAADRO NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1=O ZINC000423721784 1074060309 /nfs/dbraw/zinc/06/03/09/1074060309.db2.gz FXFWGORUXANEAN-KGLIPLIRSA-N 1 0 379.461 -1.477 20 0 GAADRO NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1=O ZINC000423721786 1074060280 /nfs/dbraw/zinc/06/02/80/1074060280.db2.gz FXFWGORUXANEAN-UONOGXRCSA-N 1 0 379.461 -1.477 20 0 GAADRO NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1=O ZINC000423721788 1074060156 /nfs/dbraw/zinc/06/01/56/1074060156.db2.gz FXFWGORUXANEAN-ZIAGYGMSSA-N 1 0 379.461 -1.477 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@@H]1C[NH3+] ZINC000423722891 1074060180 /nfs/dbraw/zinc/06/01/80/1074060180.db2.gz GASVOXKDQIEMFN-GXTWGEPZSA-N 1 0 379.461 -1.478 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@H]1C[NH3+] ZINC000423722893 1074060245 /nfs/dbraw/zinc/06/02/45/1074060245.db2.gz GASVOXKDQIEMFN-JSGCOSHPSA-N 1 0 379.461 -1.478 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@H]1C[NH3+] ZINC000423722895 1074060224 /nfs/dbraw/zinc/06/02/24/1074060224.db2.gz GASVOXKDQIEMFN-OCCSQVGLSA-N 1 0 379.461 -1.478 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@@H]1C[NH3+] ZINC000423722897 1074060315 /nfs/dbraw/zinc/06/03/15/1074060315.db2.gz GASVOXKDQIEMFN-TZMCWYRMSA-N 1 0 379.461 -1.478 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423724381 1074060273 /nfs/dbraw/zinc/06/02/73/1074060273.db2.gz HCERYOKJYSJNES-CVEARBPZSA-N 1 0 395.504 -1.425 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423724383 1074060260 /nfs/dbraw/zinc/06/02/60/1074060260.db2.gz HCERYOKJYSJNES-HOTGVXAUSA-N 1 0 395.504 -1.425 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423724385 1074060250 /nfs/dbraw/zinc/06/02/50/1074060250.db2.gz HCERYOKJYSJNES-HZPDHXFCSA-N 1 0 395.504 -1.425 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423724387 1074060208 /nfs/dbraw/zinc/06/02/08/1074060208.db2.gz HCERYOKJYSJNES-JKSUJKDBSA-N 1 0 395.504 -1.425 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423727967 1074060714 /nfs/dbraw/zinc/06/07/14/1074060714.db2.gz JMNXPWQFMPKTHP-CABCVRRESA-N 1 0 383.493 -1.521 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423727969 1074060720 /nfs/dbraw/zinc/06/07/20/1074060720.db2.gz JMNXPWQFMPKTHP-GJZGRUSLSA-N 1 0 383.493 -1.521 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423727971 1074060627 /nfs/dbraw/zinc/06/06/27/1074060627.db2.gz JMNXPWQFMPKTHP-HUUCEWRRSA-N 1 0 383.493 -1.521 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423727973 1074060671 /nfs/dbraw/zinc/06/06/71/1074060671.db2.gz JMNXPWQFMPKTHP-LSDHHAIUSA-N 1 0 383.493 -1.521 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423732432 1074060638 /nfs/dbraw/zinc/06/06/38/1074060638.db2.gz MJKRXAOBEDEEFY-CABCVRRESA-N 1 0 393.488 -1.135 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423732436 1074060677 /nfs/dbraw/zinc/06/06/77/1074060677.db2.gz MJKRXAOBEDEEFY-GJZGRUSLSA-N 1 0 393.488 -1.135 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423732439 1074060762 /nfs/dbraw/zinc/06/07/62/1074060762.db2.gz MJKRXAOBEDEEFY-HUUCEWRRSA-N 1 0 393.488 -1.135 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423732443 1074060568 /nfs/dbraw/zinc/06/05/68/1074060568.db2.gz MJKRXAOBEDEEFY-LSDHHAIUSA-N 1 0 393.488 -1.135 20 0 GAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000423735353 1074061114 /nfs/dbraw/zinc/06/11/14/1074061114.db2.gz DMZLGHDXKDKZTO-AWEZNQCLSA-N 1 0 381.477 -1.218 20 0 GAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000423735355 1074060997 /nfs/dbraw/zinc/06/09/97/1074060997.db2.gz DMZLGHDXKDKZTO-CQSZACIVSA-N 1 0 381.477 -1.218 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423736815 1074061094 /nfs/dbraw/zinc/06/10/94/1074061094.db2.gz POBDOAQAVOXSLA-KBPBESRZSA-N 1 0 381.477 -1.232 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423736818 1074061167 /nfs/dbraw/zinc/06/11/67/1074061167.db2.gz POBDOAQAVOXSLA-KGLIPLIRSA-N 1 0 381.477 -1.232 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423736821 1074061138 /nfs/dbraw/zinc/06/11/38/1074061138.db2.gz POBDOAQAVOXSLA-UONOGXRCSA-N 1 0 381.477 -1.232 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423736826 1074061181 /nfs/dbraw/zinc/06/11/81/1074061181.db2.gz POBDOAQAVOXSLA-ZIAGYGMSSA-N 1 0 381.477 -1.232 20 0 GAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000423736890 1074061104 /nfs/dbraw/zinc/06/11/04/1074061104.db2.gz FWBVIYQCMJEMEI-CYBMUJFWSA-N 1 0 378.437 -2.056 20 0 GAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000423736893 1074061074 /nfs/dbraw/zinc/06/10/74/1074061074.db2.gz FWBVIYQCMJEMEI-ZDUSSCGKSA-N 1 0 378.437 -2.056 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423737858 1074061211 /nfs/dbraw/zinc/06/12/11/1074061211.db2.gz QDTUAQYVSYMDBP-CABCVRRESA-N 1 0 383.493 -1.521 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423737859 1074061204 /nfs/dbraw/zinc/06/12/04/1074061204.db2.gz QDTUAQYVSYMDBP-GJZGRUSLSA-N 1 0 383.493 -1.521 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423737860 1074061147 /nfs/dbraw/zinc/06/11/47/1074061147.db2.gz QDTUAQYVSYMDBP-HUUCEWRRSA-N 1 0 383.493 -1.521 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423737861 1074061160 /nfs/dbraw/zinc/06/11/60/1074061160.db2.gz QDTUAQYVSYMDBP-LSDHHAIUSA-N 1 0 383.493 -1.521 20 0 GAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000423738579 1074061638 /nfs/dbraw/zinc/06/16/38/1074061638.db2.gz HIAKYISPXOWXIT-HNNXBMFYSA-N 1 0 393.488 -1.120 20 0 GAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000423738581 1074061559 /nfs/dbraw/zinc/06/15/59/1074061559.db2.gz HIAKYISPXOWXIT-OAHLLOKOSA-N 1 0 393.488 -1.120 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H]1C[NH3+] ZINC000423739103 1074061032 /nfs/dbraw/zinc/06/10/32/1074061032.db2.gz QZOQQHMCRSYTPQ-CHWSQXEVSA-N 1 0 378.437 -2.070 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@H]1C[NH3+] ZINC000423739111 1074061175 /nfs/dbraw/zinc/06/11/75/1074061175.db2.gz QZOQQHMCRSYTPQ-OLZOCXBDSA-N 1 0 378.437 -2.070 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H]1C[NH3+] ZINC000423739112 1074061042 /nfs/dbraw/zinc/06/10/42/1074061042.db2.gz QZOQQHMCRSYTPQ-QWHCGFSZSA-N 1 0 378.437 -2.070 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@H]1C[NH3+] ZINC000423739114 1074060983 /nfs/dbraw/zinc/06/09/83/1074060983.db2.gz QZOQQHMCRSYTPQ-STQMWFEESA-N 1 0 378.437 -2.070 20 0 GAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000423742510 1074060747 /nfs/dbraw/zinc/06/07/47/1074060747.db2.gz KZCUZIWAKLTBQW-HNNXBMFYSA-N 1 0 383.493 -1.506 20 0 GAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000423742512 1074060684 /nfs/dbraw/zinc/06/06/84/1074060684.db2.gz KZCUZIWAKLTBQW-OAHLLOKOSA-N 1 0 383.493 -1.506 20 0 GAADRO NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1=O ZINC000423742789 1074060732 /nfs/dbraw/zinc/06/07/32/1074060732.db2.gz ZJMMRBUZRICOEI-UONOGXRCSA-N 1 0 391.403 -1.765 20 0 GAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000423744711 1074060596 /nfs/dbraw/zinc/06/05/96/1074060596.db2.gz NAKUVAJMIGXGKW-INIZCTEOSA-N 1 0 395.504 -1.410 20 0 GAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000423744713 1074060696 /nfs/dbraw/zinc/06/06/96/1074060696.db2.gz NAKUVAJMIGXGKW-MRXNPFEDSA-N 1 0 395.504 -1.410 20 0 GAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000423745040 1074060643 /nfs/dbraw/zinc/06/06/43/1074060643.db2.gz NICFADXHVLXJFS-INIZCTEOSA-N 1 0 395.504 -1.410 20 0 GAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000423745041 1074060610 /nfs/dbraw/zinc/06/06/10/1074060610.db2.gz NICFADXHVLXJFS-MRXNPFEDSA-N 1 0 395.504 -1.410 20 0 GAADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000423748295 1074060578 /nfs/dbraw/zinc/06/05/78/1074060578.db2.gz RFUNRZOMBGZNEV-AWEZNQCLSA-N 1 0 379.461 -1.464 20 0 GAADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000423748297 1074061014 /nfs/dbraw/zinc/06/10/14/1074061014.db2.gz RFUNRZOMBGZNEV-CQSZACIVSA-N 1 0 379.461 -1.464 20 0 GAADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424298013 1074063584 /nfs/dbraw/zinc/06/35/84/1074063584.db2.gz RTNLYMNAAQWXPX-ADEWGFFLSA-N 1 0 375.433 -1.602 20 0 GAADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424298016 1074063693 /nfs/dbraw/zinc/06/36/93/1074063693.db2.gz RTNLYMNAAQWXPX-ZMLRMANQSA-N 1 0 375.433 -1.602 20 0 GAADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 ZINC000424442500 1074064852 /nfs/dbraw/zinc/06/48/52/1074064852.db2.gz AKKPTHYHHRLFFW-UHFFFAOYSA-N 1 0 383.474 -1.175 20 0 GAADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000424459185 1074064871 /nfs/dbraw/zinc/06/48/71/1074064871.db2.gz VJQMKUNKMNOSNV-UHFFFAOYSA-N 1 0 386.416 -1.250 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C[C@H]2[NH3+])cn1 ZINC000424491024 1074065210 /nfs/dbraw/zinc/06/52/10/1074065210.db2.gz BMUXJQJSUPWGJP-WDEREUQCSA-N 1 0 388.350 -1.136 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C[C@H]2[NH3+])cn1 ZINC000424491074 1074065344 /nfs/dbraw/zinc/06/53/44/1074065344.db2.gz BSDQZIXSDYHCJQ-BHYGNILZSA-N 1 0 390.488 -1.146 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C[C@H]2[NH3+])cn1 ZINC000424491075 1074065151 /nfs/dbraw/zinc/06/51/51/1074065151.db2.gz BSDQZIXSDYHCJQ-HYVNUMGLSA-N 1 0 390.488 -1.146 20 0 GAADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424492005 1074065265 /nfs/dbraw/zinc/06/52/65/1074065265.db2.gz GLVWAPAHSWCFGN-CWRNSKLLSA-N 1 0 378.477 -1.148 20 0 GAADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424492006 1074065780 /nfs/dbraw/zinc/06/57/80/1074065780.db2.gz GLVWAPAHSWCFGN-VNQPRFMTSA-N 1 0 378.477 -1.148 20 0 GAADRO COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424492688 1074065138 /nfs/dbraw/zinc/06/51/38/1074065138.db2.gz IULYRNFPCDIXLT-IYOUNJFTSA-N 1 0 393.444 -1.289 20 0 GAADRO COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424492689 1074065383 /nfs/dbraw/zinc/06/53/83/1074065383.db2.gz IULYRNFPCDIXLT-PMUMKWKESA-N 1 0 393.444 -1.289 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1=O ZINC000424492799 1074065288 /nfs/dbraw/zinc/06/52/88/1074065288.db2.gz IYRCGHGXBRSDFI-UONOGXRCSA-N 1 0 378.433 -2.010 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H](C)N1CCO ZINC000424493100 1074065800 /nfs/dbraw/zinc/06/58/00/1074065800.db2.gz JNNRKNTYTVGKLZ-LQKXBSAESA-N 1 0 378.477 -1.413 20 0 GAADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000424493292 1074065787 /nfs/dbraw/zinc/06/57/87/1074065787.db2.gz KGDNYNAZLHTCIN-HNNXBMFYSA-N 1 0 397.520 -1.131 20 0 GAADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000424493293 1074065677 /nfs/dbraw/zinc/06/56/77/1074065677.db2.gz KGDNYNAZLHTCIN-OAHLLOKOSA-N 1 0 397.520 -1.131 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCN1S(C)(=O)=O ZINC000424493335 1074065634 /nfs/dbraw/zinc/06/56/34/1074065634.db2.gz KMORLZCYYCTKMU-FPMFFAJLSA-N 1 0 398.489 -1.835 20 0 GAADRO COCCN1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1=O ZINC000424493658 1074065642 /nfs/dbraw/zinc/06/56/42/1074065642.db2.gz LKZCFFXHDYMHCC-LSDHHAIUSA-N 1 0 392.460 -1.620 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000424495092 1074065773 /nfs/dbraw/zinc/06/57/73/1074065773.db2.gz PDUQBFNMFFUMQK-YXCITZCRSA-N 1 0 379.417 -1.538 20 0 GAADRO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496221 1074065613 /nfs/dbraw/zinc/06/56/13/1074065613.db2.gz SRPYZIXAMRKGJH-CABCVRRESA-N 1 0 395.504 -1.379 20 0 GAADRO C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496224 1074065756 /nfs/dbraw/zinc/06/57/56/1074065756.db2.gz SRPYZIXAMRKGJH-GJZGRUSLSA-N 1 0 395.504 -1.379 20 0 GAADRO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496226 1074065649 /nfs/dbraw/zinc/06/56/49/1074065649.db2.gz SRPYZIXAMRKGJH-HUUCEWRRSA-N 1 0 395.504 -1.379 20 0 GAADRO C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496228 1074065661 /nfs/dbraw/zinc/06/56/61/1074065661.db2.gz SRPYZIXAMRKGJH-LSDHHAIUSA-N 1 0 395.504 -1.379 20 0 GAADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424496681 1074337639 /nfs/dbraw/zinc/33/76/39/1074337639.db2.gz VADRGUIBSJXUKF-CWRNSKLLSA-N 1 0 392.504 -1.023 20 0 GAADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424496682 1074065735 /nfs/dbraw/zinc/06/57/35/1074065735.db2.gz VADRGUIBSJXUKF-VNQPRFMTSA-N 1 0 392.504 -1.023 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCN1CC(C)(C)O ZINC000424497013 1074065687 /nfs/dbraw/zinc/06/56/87/1074065687.db2.gz VMYMAFKPAPHAKD-CWRNSKLLSA-N 1 0 392.504 -1.023 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCN1CC(C)(C)O ZINC000424497015 1074065705 /nfs/dbraw/zinc/06/57/05/1074065705.db2.gz VMYMAFKPAPHAKD-VNQPRFMTSA-N 1 0 392.504 -1.023 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000424497027 1074065718 /nfs/dbraw/zinc/06/57/18/1074065718.db2.gz VNVGGKKASIYYLC-QLFBSQMISA-N 1 0 389.460 -1.264 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000424497031 1074065702 /nfs/dbraw/zinc/06/57/02/1074065702.db2.gz VNVGGKKASIYYLC-SOUVJXGZSA-N 1 0 389.460 -1.264 20 0 GAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C1 ZINC000424497775 1074065724 /nfs/dbraw/zinc/06/57/24/1074065724.db2.gz XWFXYOGZYPJGFS-KBPBESRZSA-N 1 0 377.449 -1.245 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C1 ZINC000424497776 1074066078 /nfs/dbraw/zinc/06/60/78/1074066078.db2.gz XWFXYOGZYPJGFS-KGLIPLIRSA-N 1 0 377.449 -1.245 20 0 GAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 ZINC000424497777 1074066086 /nfs/dbraw/zinc/06/60/86/1074066086.db2.gz XWFXYOGZYPJGFS-UONOGXRCSA-N 1 0 377.449 -1.245 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 ZINC000424497778 1074066148 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1073966660 /nfs/dbraw/zinc/96/66/60/1073966660.db2.gz ACUBNIITLWBISJ-UHFFFAOYSA-N 1 0 395.504 -1.233 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCSC[C@H]2CO)cn1 ZINC000440678966 1074167772 /nfs/dbraw/zinc/16/77/72/1074167772.db2.gz YBOMTDPMGGOOHY-CYBMUJFWSA-N 1 0 398.489 -1.564 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCSC[C@@H]2CO)cn1 ZINC000440678968 1074167721 /nfs/dbraw/zinc/16/77/21/1074167721.db2.gz YBOMTDPMGGOOHY-ZDUSSCGKSA-N 1 0 398.489 -1.564 20 0 GAADRO Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)[nH]1 ZINC000440751956 1074169009 /nfs/dbraw/zinc/16/90/09/1074169009.db2.gz HRCWIAAPUFNUNY-UHFFFAOYSA-N 1 0 389.464 -0.846 20 0 GAADRO COC(=O)Cn1cc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nn1 ZINC000440772812 1074168982 /nfs/dbraw/zinc/16/89/82/1074168982.db2.gz CPHVURPUMSKAMD-GFCCVEGCSA-N 1 0 381.437 -1.162 20 0 GAADRO COC(=O)Cn1cc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nn1 ZINC000440772813 1074168857 /nfs/dbraw/zinc/16/88/57/1074168857.db2.gz 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20 0 GAADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000443288670 530122189 /nfs/dbraw/zinc/12/21/89/530122189.db2.gz XQJCLSHEKVYJDI-ZDUSSCGKSA-N 1 0 383.536 -1.014 20 0 GAADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443289464 530121607 /nfs/dbraw/zinc/12/16/07/530121607.db2.gz VUFVQDOIZONXAF-UHFFFAOYSA-N 1 0 398.551 -1.413 20 0 GAADRO Cn1cc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c(=O)n(C)c1=O ZINC000443290135 530121742 /nfs/dbraw/zinc/12/17/42/530121742.db2.gz OIBXEYZBWVDQTC-UHFFFAOYSA-N 1 0 378.451 -2.355 20 0 GAADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000443294596 530122082 /nfs/dbraw/zinc/12/20/82/530122082.db2.gz LLJPCBIBLOGBMR-UHFFFAOYSA-N 1 0 395.503 -1.105 20 0 GAADRO COC(=O)C1CCN(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)CC1 ZINC000443303784 530122068 /nfs/dbraw/zinc/12/20/68/530122068.db2.gz AMDDJGMJRZHKEI-UHFFFAOYSA-N 1 0 381.495 -1.011 20 0 GAADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443306117 530122115 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MQGMPQWHWBGKKG-RWMBFGLXSA-N 1 0 376.479 -1.509 20 0 GAADRO CO[C@H]1C[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)N(S(C)(=O)=O)C1 ZINC000469277477 530130655 /nfs/dbraw/zinc/13/06/55/530130655.db2.gz MQGMPQWHWBGKKG-YNEHKIRRSA-N 1 0 376.479 -1.509 20 0 GAADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469287804 1075684408 /nfs/dbraw/zinc/68/44/08/1075684408.db2.gz XCTLVYLHFDNBFX-AWEZNQCLSA-N 1 0 392.460 -0.719 20 0 GAADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469287832 1074881788 /nfs/dbraw/zinc/88/17/88/1074881788.db2.gz XCTLVYLHFDNBFX-CQSZACIVSA-N 1 0 392.460 -0.719 20 0 GAADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469297904 1075684398 /nfs/dbraw/zinc/68/43/98/1075684398.db2.gz ZOQZCFMIHAAMFA-UHFFFAOYSA-N 1 0 394.476 -0.616 20 0 GAADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1=O ZINC000469311157 1074093620 /nfs/dbraw/zinc/09/36/20/1074093620.db2.gz ZWKPBCRIMIREOG-HNNXBMFYSA-N 1 0 378.477 -0.436 20 0 GAADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1=O ZINC000469311204 1075684291 /nfs/dbraw/zinc/68/42/91/1075684291.db2.gz ZWKPBCRIMIREOG-OAHLLOKOSA-N 1 0 378.477 -0.436 20 0 GAADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@H+](C)C1CC1 ZINC000469317663 1074873160 /nfs/dbraw/zinc/87/31/60/1074873160.db2.gz YDXBOMKOGJDPDD-CYBMUJFWSA-N 1 0 392.460 -0.721 20 0 GAADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[N@H+](C)C1CC1 ZINC000469317702 1075684304 /nfs/dbraw/zinc/68/43/04/1075684304.db2.gz YDXBOMKOGJDPDD-ZDUSSCGKSA-N 1 0 392.460 -0.721 20 0 GAADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469326875 530130542 /nfs/dbraw/zinc/13/05/42/530130542.db2.gz LUOIXJFHTMTGPU-AWEZNQCLSA-N 1 0 397.567 -1.576 20 0 GAADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469326886 530130715 /nfs/dbraw/zinc/13/07/15/530130715.db2.gz LUOIXJFHTMTGPU-CQSZACIVSA-N 1 0 397.567 -1.576 20 0 GAADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000469352017 530130339 /nfs/dbraw/zinc/13/03/39/530130339.db2.gz MVASDEDQAOKWMC-CYBMUJFWSA-N 1 0 378.495 -1.343 20 0 GAADRO COCC[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000469352020 530130602 /nfs/dbraw/zinc/13/06/02/530130602.db2.gz MVASDEDQAOKWMC-ZDUSSCGKSA-N 1 0 378.495 -1.343 20 0 GAADRO CC(C)(O)C[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000469357757 1075684688 /nfs/dbraw/zinc/68/46/88/1075684688.db2.gz UAWCFAINBJCNET-UHFFFAOYSA-N 1 0 387.462 -1.693 20 0 GAADRO CC[NH+]1CCN(CCNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000469490835 1075685086 /nfs/dbraw/zinc/68/50/86/1075685086.db2.gz YIUCAPWIXFRETE-UHFFFAOYSA-N 1 0 391.538 -1.426 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000469614682 1075685493 /nfs/dbraw/zinc/68/54/93/1075685493.db2.gz DBGUIXZASFCCGG-KBPBESRZSA-N 1 0 392.522 -1.266 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000469614683 1075685355 /nfs/dbraw/zinc/68/53/55/1075685355.db2.gz DBGUIXZASFCCGG-KGLIPLIRSA-N 1 0 392.522 -1.266 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000469614684 1075685430 /nfs/dbraw/zinc/68/54/30/1075685430.db2.gz DBGUIXZASFCCGG-UONOGXRCSA-N 1 0 392.522 -1.266 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000469614685 1074183562 /nfs/dbraw/zinc/18/35/62/1074183562.db2.gz DBGUIXZASFCCGG-ZIAGYGMSSA-N 1 0 392.522 -1.266 20 0 GAADRO CC[N@H+](CCO)CCNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000469619958 1075685385 /nfs/dbraw/zinc/68/53/85/1075685385.db2.gz IPGGUEGQWXPGGT-UHFFFAOYSA-N 1 0 398.485 -1.086 20 0 GAADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000469632445 530130683 /nfs/dbraw/zinc/13/06/83/530130683.db2.gz JORNPOCSYMHUFS-UHFFFAOYSA-N 1 0 376.410 -1.158 20 0 GAADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000469638834 1075685771 /nfs/dbraw/zinc/68/57/71/1075685771.db2.gz YYOOBWCFBBNIPK-UHFFFAOYSA-N 1 0 392.416 -1.999 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)NC(=O)C2(C)C)cn1 ZINC000469707769 1074193237 /nfs/dbraw/zinc/19/32/37/1074193237.db2.gz OLGYXIPFLNNGMK-UHFFFAOYSA-N 1 0 379.421 -1.170 20 0 GAADRO COCCn1c(N)c(C(=O)CN2CCC[N@@H+]([C@H](C)CO)CC2)c(=O)[nH]c1=O ZINC000469836561 1075686166 /nfs/dbraw/zinc/68/61/66/1075686166.db2.gz NRDXQLNTBCHRNF-GFCCVEGCSA-N 1 0 383.449 -1.251 20 0 GAADRO COCCn1c(N)c(C(=O)CN2CCC[N@@H+]([C@@H](C)CO)CC2)c(=O)[nH]c1=O ZINC000469836562 1075686121 /nfs/dbraw/zinc/68/61/21/1075686121.db2.gz NRDXQLNTBCHRNF-LBPRGKRZSA-N 1 0 383.449 -1.251 20 0 GAADRO C[C@@H](CNC(=O)CN1CCN(S(C)(=O)=O)CC1)C[NH+]1CCN(C)CC1 ZINC000469869341 530131289 /nfs/dbraw/zinc/13/12/89/530131289.db2.gz FHXSPAZGRCENJX-HNNXBMFYSA-N 1 0 375.539 -1.437 20 0 GAADRO C[C@H](CNC(=O)CN1CCN(S(C)(=O)=O)CC1)C[NH+]1CCN(C)CC1 ZINC000469869349 530130942 /nfs/dbraw/zinc/13/09/42/530130942.db2.gz FHXSPAZGRCENJX-OAHLLOKOSA-N 1 0 375.539 -1.437 20 0 GAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469872111 1074232024 /nfs/dbraw/zinc/23/20/24/1074232024.db2.gz NVSBAULXDLPPGA-INIZCTEOSA-N 1 0 389.566 -1.047 20 0 GAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469872112 1074231848 /nfs/dbraw/zinc/23/18/48/1074231848.db2.gz NVSBAULXDLPPGA-MRXNPFEDSA-N 1 0 389.566 -1.047 20 0 GAADRO CC[NH+]1CCN(CCCNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469874057 530131249 /nfs/dbraw/zinc/13/12/49/530131249.db2.gz PBKBAIVLYUGQRA-UHFFFAOYSA-N 1 0 375.539 -1.293 20 0 GAADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469898445 530131361 /nfs/dbraw/zinc/13/13/61/530131361.db2.gz DANDKXGAUDYLQG-HNNXBMFYSA-N 1 0 375.539 -1.294 20 0 GAADRO CC[NH+]1CCN([C@H](C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469898446 530131168 /nfs/dbraw/zinc/13/11/68/530131168.db2.gz DANDKXGAUDYLQG-OAHLLOKOSA-N 1 0 375.539 -1.294 20 0 GAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H]1C ZINC000469991661 1074250002 /nfs/dbraw/zinc/25/00/02/1074250002.db2.gz MQPINBRPJPUMMP-CVEARBPZSA-N 1 0 396.488 -1.127 20 0 GAADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H]1C ZINC000469991662 1074250017 /nfs/dbraw/zinc/25/00/17/1074250017.db2.gz MQPINBRPJPUMMP-HOTGVXAUSA-N 1 0 396.488 -1.127 20 0 GAADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H]1C ZINC000469991663 1074249926 /nfs/dbraw/zinc/24/99/26/1074249926.db2.gz MQPINBRPJPUMMP-HZPDHXFCSA-N 1 0 396.488 -1.127 20 0 GAADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H]1C ZINC000469991664 1074249858 /nfs/dbraw/zinc/24/98/58/1074249858.db2.gz MQPINBRPJPUMMP-JKSUJKDBSA-N 1 0 396.488 -1.127 20 0 GAADRO C[C@@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C(N)=O)O1 ZINC000470024869 1075687131 /nfs/dbraw/zinc/68/71/31/1075687131.db2.gz QBUQFDUGHZJBRO-DOMZBBRYSA-N 1 0 398.485 -1.043 20 0 GAADRO C[C@@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](C(N)=O)O1 ZINC000470024870 1075687331 /nfs/dbraw/zinc/68/73/31/1075687331.db2.gz QBUQFDUGHZJBRO-IUODEOHRSA-N 1 0 398.485 -1.043 20 0 GAADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000470050432 1075687361 /nfs/dbraw/zinc/68/73/61/1075687361.db2.gz JRYRWCDPDZGVPE-CYBMUJFWSA-N 1 0 377.445 -1.046 20 0 GAADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000470050433 1075687277 /nfs/dbraw/zinc/68/72/77/1075687277.db2.gz JRYRWCDPDZGVPE-ZDUSSCGKSA-N 1 0 377.445 -1.046 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470057506 1075687380 /nfs/dbraw/zinc/68/73/80/1075687380.db2.gz SHYPNXKLLVDJFP-AWEZNQCLSA-N 1 0 392.522 -1.264 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470057507 1075687311 /nfs/dbraw/zinc/68/73/11/1075687311.db2.gz SHYPNXKLLVDJFP-CQSZACIVSA-N 1 0 392.522 -1.264 20 0 GAADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470062367 1075687151 /nfs/dbraw/zinc/68/71/51/1075687151.db2.gz NVIXWFHVPHOWCE-CYBMUJFWSA-N 1 0 392.460 -1.261 20 0 GAADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470062368 1075687265 /nfs/dbraw/zinc/68/72/65/1075687265.db2.gz NVIXWFHVPHOWCE-ZDUSSCGKSA-N 1 0 392.460 -1.261 20 0 GAADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470066074 1075687348 /nfs/dbraw/zinc/68/73/48/1075687348.db2.gz KQPSLPVZJFSQOG-GFCCVEGCSA-N 1 0 378.433 -1.651 20 0 GAADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000470066075 1075687201 /nfs/dbraw/zinc/68/72/01/1075687201.db2.gz KQPSLPVZJFSQOG-LBPRGKRZSA-N 1 0 378.433 -1.651 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000470359067 530131370 /nfs/dbraw/zinc/13/13/70/530131370.db2.gz JXPIDPXCQJCXFY-UHFFFAOYSA-N 1 0 375.495 -2.204 20 0 GAADRO CS(=O)(=O)N1CCN(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000470380704 1075688689 /nfs/dbraw/zinc/68/86/89/1075688689.db2.gz ASOVPHRPPIVVIC-AWEZNQCLSA-N 1 0 389.522 -1.733 20 0 GAADRO 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ZINC000566511098 1074368217 /nfs/dbraw/zinc/36/82/17/1074368217.db2.gz JFHPVUSPUNIVGT-ZOBORPQBSA-N 1 0 379.461 -1.480 20 0 GAADRO CNC(=O)C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000566511203 1075734464 /nfs/dbraw/zinc/73/44/64/1075734464.db2.gz MAUXPSZGPJUKJR-ILXRZTDVSA-N 1 0 387.440 -1.250 20 0 GAADRO CNC(=O)C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000566511204 1075734458 /nfs/dbraw/zinc/73/44/58/1075734458.db2.gz MAUXPSZGPJUKJR-KFWWJZLASA-N 1 0 387.440 -1.250 20 0 GAADRO CNC(=O)C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000566511205 1075734379 /nfs/dbraw/zinc/73/43/79/1075734379.db2.gz MAUXPSZGPJUKJR-KKUMJFAQSA-N 1 0 387.440 -1.250 20 0 GAADRO CNC(=O)C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000566511206 1075734428 /nfs/dbraw/zinc/73/44/28/1075734428.db2.gz MAUXPSZGPJUKJR-ZNMIVQPWSA-N 1 0 387.440 -1.250 20 0 GAADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000566511332 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-2.409 20 0 GAADRO CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566572932 1075734722 /nfs/dbraw/zinc/73/47/22/1075734722.db2.gz MUMJLDNIDISCOT-WDEREUQCSA-N 1 0 389.478 -2.409 20 0 GAADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 ZINC000566746252 1075735265 /nfs/dbraw/zinc/73/52/65/1075735265.db2.gz YBNJSVRUVNAQJI-UHFFFAOYSA-N 1 0 392.460 -1.412 20 0 GAADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000566782920 1075735235 /nfs/dbraw/zinc/73/52/35/1075735235.db2.gz DIXPCHBDSBPXCN-UHFFFAOYSA-N 1 0 383.493 -1.601 20 0 GAADRO COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C2 ZINC000566787216 1075735169 /nfs/dbraw/zinc/73/51/69/1075735169.db2.gz LPXRWKDBLPRAEU-CYBMUJFWSA-N 1 0 376.413 -1.337 20 0 GAADRO COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C2 ZINC000566787217 1075735178 /nfs/dbraw/zinc/73/51/78/1075735178.db2.gz LPXRWKDBLPRAEU-ZDUSSCGKSA-N 1 0 376.413 -1.337 20 0 GAADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855876 1075735516 /nfs/dbraw/zinc/73/55/16/1075735516.db2.gz FYTYKRJYRLNIBN-NEPJUHHUSA-N 1 0 379.461 -1.075 20 0 GAADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855879 1075735552 /nfs/dbraw/zinc/73/55/52/1075735552.db2.gz FYTYKRJYRLNIBN-NWDGAFQWSA-N 1 0 379.461 -1.075 20 0 GAADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855880 1075735569 /nfs/dbraw/zinc/73/55/69/1075735569.db2.gz FYTYKRJYRLNIBN-RYUDHWBXSA-N 1 0 379.461 -1.075 20 0 GAADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855881 1075735492 /nfs/dbraw/zinc/73/54/92/1075735492.db2.gz FYTYKRJYRLNIBN-VXGBXAGGSA-N 1 0 379.461 -1.075 20 0 GAADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1C ZINC000566865587 1075735425 /nfs/dbraw/zinc/73/54/25/1075735425.db2.gz DWXUVJNOKQYYLF-NEPJUHHUSA-N 1 0 384.462 -1.833 20 0 GAADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1C ZINC000566865588 1075735607 /nfs/dbraw/zinc/73/56/07/1075735607.db2.gz DWXUVJNOKQYYLF-NWDGAFQWSA-N 1 0 384.462 -1.833 20 0 GAADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1C ZINC000566865589 1075735591 /nfs/dbraw/zinc/73/55/91/1075735591.db2.gz DWXUVJNOKQYYLF-RYUDHWBXSA-N 1 0 384.462 -1.833 20 0 GAADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1C ZINC000566865800 1075735449 /nfs/dbraw/zinc/73/54/49/1075735449.db2.gz DWXUVJNOKQYYLF-VXGBXAGGSA-N 1 0 384.462 -1.833 20 0 GAADRO Cn1c2ncn(CCC(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)c2c(=O)n(C)c1=O ZINC000566922850 1075735969 /nfs/dbraw/zinc/73/59/69/1075735969.db2.gz BEPAOGMBHZHIDM-GOSISDBHSA-N 1 0 390.444 -1.603 20 0 GAADRO Cn1c2ncn(CCC(=O)NC[C@]3(O)C[NH+]4CCC3CC4)c2c(=O)n(C)c1=O ZINC000566922855 1075735840 /nfs/dbraw/zinc/73/58/40/1075735840.db2.gz BEPAOGMBHZHIDM-SFHVURJKSA-N 1 0 390.444 -1.603 20 0 GAADRO COCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000566925718 1075735926 /nfs/dbraw/zinc/73/59/26/1075735926.db2.gz CJFMWGOTJJZNRT-CHWSQXEVSA-N 1 0 377.401 -1.184 20 0 GAADRO COCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000566925719 1075735806 /nfs/dbraw/zinc/73/58/06/1075735806.db2.gz CJFMWGOTJJZNRT-OLZOCXBDSA-N 1 0 377.401 -1.184 20 0 GAADRO COCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000566925720 1075735822 /nfs/dbraw/zinc/73/58/22/1075735822.db2.gz CJFMWGOTJJZNRT-QWHCGFSZSA-N 1 0 377.401 -1.184 20 0 GAADRO COCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000566925722 1075735918 /nfs/dbraw/zinc/73/59/18/1075735918.db2.gz CJFMWGOTJJZNRT-STQMWFEESA-N 1 0 377.401 -1.184 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1C[NH2+]C1 ZINC000566964057 1075735952 /nfs/dbraw/zinc/73/59/52/1075735952.db2.gz CHGDEIDSIXOVML-UHFFFAOYSA-N 1 0 396.473 -2.262 20 0 GAADRO 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-1.028 20 0 GAADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000573856399 1075752575 /nfs/dbraw/zinc/75/25/75/1075752575.db2.gz ZJBSZFIXDUBXQM-AWEZNQCLSA-N 1 0 390.506 -1.246 20 0 GAADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000573856400 1075752601 /nfs/dbraw/zinc/75/26/01/1075752601.db2.gz ZJBSZFIXDUBXQM-CQSZACIVSA-N 1 0 390.506 -1.246 20 0 GAADRO Cn1c2ncn(CC(=O)NC[C@]3(O)C[NH+]4CCC3CC4)c2c(=O)n(C)c1=O ZINC000573861392 1074524240 /nfs/dbraw/zinc/52/42/40/1074524240.db2.gz KJDCCJOQZUZQAB-KRWDZBQOSA-N 1 0 376.417 -1.993 20 0 GAADRO Cn1c2ncn(CC(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)c2c(=O)n(C)c1=O ZINC000573861393 1074524021 /nfs/dbraw/zinc/52/40/21/1074524021.db2.gz KJDCCJOQZUZQAB-QGZVFWFLSA-N 1 0 376.417 -1.993 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CCN2C1=O ZINC000573863264 1074524307 /nfs/dbraw/zinc/52/43/07/1074524307.db2.gz MNJCZIIBBKEPNP-GZMMTYOYSA-N 1 0 379.398 -1.027 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CCN2C1=O ZINC000573863265 1074524179 /nfs/dbraw/zinc/52/41/79/1074524179.db2.gz MNJCZIIBBKEPNP-KCJUWKMLSA-N 1 0 379.398 -1.027 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CCN2C1=O ZINC000573863266 1074524201 /nfs/dbraw/zinc/52/42/01/1074524201.db2.gz MNJCZIIBBKEPNP-KWQFWETISA-N 1 0 379.398 -1.027 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CCN2C1=O ZINC000573863267 1074524260 /nfs/dbraw/zinc/52/42/60/1074524260.db2.gz MNJCZIIBBKEPNP-LDYMZIIASA-N 1 0 379.398 -1.027 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCNC(=O)c3cccs3)CCN2C1=O ZINC000573864486 1074524281 /nfs/dbraw/zinc/52/42/81/1074524281.db2.gz MEBAKKHLVBAOTK-GHMZBOCLSA-N 1 0 379.442 -1.636 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCNC(=O)c3cccs3)CCN2C1=O ZINC000573864487 1074524320 /nfs/dbraw/zinc/52/43/20/1074524320.db2.gz MEBAKKHLVBAOTK-MNOVXSKESA-N 1 0 379.442 -1.636 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCNC(=O)c3cccs3)CCN2C1=O ZINC000573864488 1074524143 /nfs/dbraw/zinc/52/41/43/1074524143.db2.gz MEBAKKHLVBAOTK-QWRGUYRKSA-N 1 0 379.442 -1.636 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCNC(=O)c3cccs3)CCN2C1=O ZINC000573864489 1074524110 /nfs/dbraw/zinc/52/41/10/1074524110.db2.gz MEBAKKHLVBAOTK-WDEREUQCSA-N 1 0 379.442 -1.636 20 0 GAADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 ZINC000573912368 1074524340 /nfs/dbraw/zinc/52/43/40/1074524340.db2.gz IFYMCUADDTYCAF-CYBMUJFWSA-N 1 0 387.506 -2.158 20 0 GAADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 ZINC000573912369 1074524041 /nfs/dbraw/zinc/52/40/41/1074524041.db2.gz IFYMCUADDTYCAF-ZDUSSCGKSA-N 1 0 387.506 -2.158 20 0 GAADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000573957036 530157490 /nfs/dbraw/zinc/15/74/90/530157490.db2.gz PINCUFOHMNYVJO-UHFFFAOYSA-N 1 0 375.451 -1.380 20 0 GAADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c(F)c1 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ZINC000578901435 1075767211 /nfs/dbraw/zinc/76/72/11/1075767211.db2.gz SHEQMROSWDGYPN-MRXNPFEDSA-N 1 0 396.536 -1.639 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC)nn2)CC1 ZINC000578918523 1075767248 /nfs/dbraw/zinc/76/72/48/1075767248.db2.gz MFWSKCSBXNFYOE-UHFFFAOYSA-N 1 0 378.433 -0.564 20 0 GAADRO O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000578979251 1075767096 /nfs/dbraw/zinc/76/70/96/1075767096.db2.gz VHNGJCVKLPAYAA-CYBMUJFWSA-N 1 0 385.490 -2.261 20 0 GAADRO O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000578979252 1075767129 /nfs/dbraw/zinc/76/71/29/1075767129.db2.gz VHNGJCVKLPAYAA-ZDUSSCGKSA-N 1 0 385.490 -2.261 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CCN2C1=O ZINC000579007438 1075767079 /nfs/dbraw/zinc/76/70/79/1075767079.db2.gz NFASMLCTOBLOMY-CABCVRRESA-N 1 0 383.412 -1.346 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CCN2C1=O ZINC000579007439 1075767180 /nfs/dbraw/zinc/76/71/80/1075767180.db2.gz NFASMLCTOBLOMY-GJZGRUSLSA-N 1 0 383.412 -1.346 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CCN2C1=O ZINC000579007440 1075767263 /nfs/dbraw/zinc/76/72/63/1075767263.db2.gz NFASMLCTOBLOMY-HUUCEWRRSA-N 1 0 383.412 -1.346 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CCN2C1=O ZINC000579007441 1075767272 /nfs/dbraw/zinc/76/72/72/1075767272.db2.gz NFASMLCTOBLOMY-LSDHHAIUSA-N 1 0 383.412 -1.346 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000579032752 1075767518 /nfs/dbraw/zinc/76/75/18/1075767518.db2.gz RLHGECVVUCLLDH-INIZCTEOSA-N 1 0 381.521 -1.033 20 0 GAADRO C[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000579032753 1075767434 /nfs/dbraw/zinc/76/74/34/1075767434.db2.gz RLHGECVVUCLLDH-MRXNPFEDSA-N 1 0 381.521 -1.033 20 0 GAADRO CN(C)S(=O)(=O)CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000579064049 530166864 /nfs/dbraw/zinc/16/68/64/530166864.db2.gz RTHQNKYYWHUSDR-UHFFFAOYSA-N 1 0 375.495 -1.173 20 0 GAADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000579100036 1075767743 /nfs/dbraw/zinc/76/77/43/1075767743.db2.gz VZYWHKWTNDXZAC-CYBMUJFWSA-N 1 0 387.440 -1.158 20 0 GAADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000579100037 1075767731 /nfs/dbraw/zinc/76/77/31/1075767731.db2.gz VZYWHKWTNDXZAC-ZDUSSCGKSA-N 1 0 387.440 -1.158 20 0 GAADRO CN(C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000579100304 1075767405 /nfs/dbraw/zinc/76/74/05/1075767405.db2.gz HFAUAPOTGGCZNF-GJZGRUSLSA-N 1 0 381.477 -2.066 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000579106269 1075767832 /nfs/dbraw/zinc/76/78/32/1075767832.db2.gz RYGQVNMMCAEGAT-CVEARBPZSA-N 1 0 395.504 -1.364 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000579106270 1075767713 /nfs/dbraw/zinc/76/77/13/1075767713.db2.gz RYGQVNMMCAEGAT-HOTGVXAUSA-N 1 0 395.504 -1.364 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000579106271 1075767739 /nfs/dbraw/zinc/76/77/39/1075767739.db2.gz RYGQVNMMCAEGAT-HZPDHXFCSA-N 1 0 395.504 -1.364 20 0 GAADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000579106272 1075767755 /nfs/dbraw/zinc/76/77/55/1075767755.db2.gz RYGQVNMMCAEGAT-JKSUJKDBSA-N 1 0 395.504 -1.364 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CCN2C1=O ZINC000579131034 1075767758 /nfs/dbraw/zinc/76/77/58/1075767758.db2.gz XGBDHJQPIBRVJC-DZGCQCFKSA-N 1 0 394.453 -1.235 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CCN2C1=O ZINC000579131035 1075767707 /nfs/dbraw/zinc/76/77/07/1075767707.db2.gz XGBDHJQPIBRVJC-HIFRSBDPSA-N 1 0 394.453 -1.235 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CCN2C1=O ZINC000579131036 1075767796 /nfs/dbraw/zinc/76/77/96/1075767796.db2.gz XGBDHJQPIBRVJC-UKRRQHHQSA-N 1 0 394.453 -1.235 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CCN2C1=O ZINC000579131037 1075767787 /nfs/dbraw/zinc/76/77/87/1075767787.db2.gz XGBDHJQPIBRVJC-ZFWWWQNUSA-N 1 0 394.453 -1.235 20 0 GAADRO C[NH+](C)CCn1nccc1NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000579136097 1075767769 /nfs/dbraw/zinc/76/77/69/1075767769.db2.gz WTTVMAVWCFJYMI-UHFFFAOYSA-N 1 0 385.494 -1.104 20 0 GAADRO Cc1c([C@H]2[C@H](NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC(=O)N2C)cnn1C ZINC000579142612 1075768001 /nfs/dbraw/zinc/76/80/01/1075768001.db2.gz YQVMQZLLLHTHDQ-DCDXPUDHSA-N 1 0 389.460 -1.046 20 0 GAADRO Cc1c([C@H]2[C@H](NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC(=O)N2C)cnn1C ZINC000579142617 1075768031 /nfs/dbraw/zinc/76/80/31/1075768031.db2.gz YQVMQZLLLHTHDQ-MEWXFMAXSA-N 1 0 389.460 -1.046 20 0 GAADRO Cc1c([C@H]2[C@H](NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC(=O)N2C)cnn1C ZINC000579142618 1075767978 /nfs/dbraw/zinc/76/79/78/1075767978.db2.gz YQVMQZLLLHTHDQ-UJDVCPFMSA-N 1 0 389.460 -1.046 20 0 GAADRO Cc1c([C@H]2[C@H](NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC(=O)N2C)cnn1C ZINC000579142619 1075768132 /nfs/dbraw/zinc/76/81/32/1075768132.db2.gz YQVMQZLLLHTHDQ-ZIEJDFEHSA-N 1 0 389.460 -1.046 20 0 GAADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000579150091 530167300 /nfs/dbraw/zinc/16/73/00/530167300.db2.gz BPEZUKNRMUVSNG-CYBMUJFWSA-N 1 0 378.495 -1.437 20 0 GAADRO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000579150092 530167223 /nfs/dbraw/zinc/16/72/23/530167223.db2.gz BPEZUKNRMUVSNG-ZDUSSCGKSA-N 1 0 378.495 -1.437 20 0 GAADRO CC[NH+](CC)CCS(=O)(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000579166792 1075767988 /nfs/dbraw/zinc/76/79/88/1075767988.db2.gz OJHIMAKTLZQWQY-UHFFFAOYSA-N 1 0 388.494 -1.380 20 0 GAADRO CN(CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)S(=O)(=O)c1cccnc1 ZINC000579235632 1074172384 /nfs/dbraw/zinc/17/23/84/1074172384.db2.gz XQYZBZHYFCLMQB-UHFFFAOYSA-N 1 0 380.434 -1.132 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579253828 1075768344 /nfs/dbraw/zinc/76/83/44/1075768344.db2.gz NYHOYALULAUAQZ-GHMZBOCLSA-N 1 0 390.466 -3.295 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579253829 1075768409 /nfs/dbraw/zinc/76/84/09/1075768409.db2.gz NYHOYALULAUAQZ-MNOVXSKESA-N 1 0 390.466 -3.295 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579253830 1075768331 /nfs/dbraw/zinc/76/83/31/1075768331.db2.gz NYHOYALULAUAQZ-QWRGUYRKSA-N 1 0 390.466 -3.295 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579253831 1075768349 /nfs/dbraw/zinc/76/83/49/1075768349.db2.gz NYHOYALULAUAQZ-WDEREUQCSA-N 1 0 390.466 -3.295 20 0 GAADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579259657 1075768356 /nfs/dbraw/zinc/76/83/56/1075768356.db2.gz ZNRWAZZSVLSZLY-GXTWGEPZSA-N 1 0 393.469 -1.533 20 0 GAADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579259658 1075768403 /nfs/dbraw/zinc/76/84/03/1075768403.db2.gz ZNRWAZZSVLSZLY-JSGCOSHPSA-N 1 0 393.469 -1.533 20 0 GAADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579259659 1075768315 /nfs/dbraw/zinc/76/83/15/1075768315.db2.gz ZNRWAZZSVLSZLY-OCCSQVGLSA-N 1 0 393.469 -1.533 20 0 GAADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579259660 1075768363 /nfs/dbraw/zinc/76/83/63/1075768363.db2.gz ZNRWAZZSVLSZLY-TZMCWYRMSA-N 1 0 393.469 -1.533 20 0 GAADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000579330631 1075768578 /nfs/dbraw/zinc/76/85/78/1075768578.db2.gz QBWRIKODJVZQSN-UHFFFAOYSA-N 1 0 395.504 -1.410 20 0 GAADRO CN1CCN(C(=O)C(=O)NCCNC(=O)c2c(F)cccc2F)[C@H](C[NH3+])C1 ZINC000579453994 1075768990 /nfs/dbraw/zinc/76/89/90/1075768990.db2.gz PMZLHPRHIWADTQ-LLVKDONJSA-N 1 0 383.399 -1.088 20 0 GAADRO CN1CCN(C(=O)C(=O)NCCNC(=O)c2c(F)cccc2F)[C@@H](C[NH3+])C1 ZINC000579453995 1075769037 /nfs/dbraw/zinc/76/90/37/1075769037.db2.gz PMZLHPRHIWADTQ-NSHDSACASA-N 1 0 383.399 -1.088 20 0 GAADRO COCCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000579496466 1075769194 /nfs/dbraw/zinc/76/91/94/1075769194.db2.gz HTVKJSGAZMMBGQ-DZGCQCFKSA-N 1 0 396.469 -1.005 20 0 GAADRO COCCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000579496467 1075769232 /nfs/dbraw/zinc/76/92/32/1075769232.db2.gz HTVKJSGAZMMBGQ-HIFRSBDPSA-N 1 0 396.469 -1.005 20 0 GAADRO COCCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000579496468 1075769268 /nfs/dbraw/zinc/76/92/68/1075769268.db2.gz HTVKJSGAZMMBGQ-UKRRQHHQSA-N 1 0 396.469 -1.005 20 0 GAADRO COCCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000579496469 1075769224 /nfs/dbraw/zinc/76/92/24/1075769224.db2.gz HTVKJSGAZMMBGQ-ZFWWWQNUSA-N 1 0 396.469 -1.005 20 0 GAADRO COc1ccccc1N1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000579573597 1075769285 /nfs/dbraw/zinc/76/92/85/1075769285.db2.gz IQRCKNRHYAVRQL-UHFFFAOYSA-N 1 0 389.456 -1.108 20 0 GAADRO Cc1nc(S(=O)(=O)NCCC(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cn1C ZINC000579589292 1075769574 /nfs/dbraw/zinc/76/95/74/1075769574.db2.gz ITXLYYISLMLSCB-UHFFFAOYSA-N 1 0 397.465 -1.437 20 0 GAADRO C[C@@]1(F)C[NH2+]CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000579598818 530167319 /nfs/dbraw/zinc/16/73/19/530167319.db2.gz RYSIPOOMKHTMMH-GDBMZVCRSA-N 1 0 376.498 -1.049 20 0 GAADRO C[C@@]1(F)C[NH2+]CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000579598819 530167367 /nfs/dbraw/zinc/16/73/67/530167367.db2.gz RYSIPOOMKHTMMH-GOEBONIOSA-N 1 0 376.498 -1.049 20 0 GAADRO C[C@]1(F)C[NH2+]CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000579598820 530166746 /nfs/dbraw/zinc/16/67/46/530166746.db2.gz RYSIPOOMKHTMMH-HOCLYGCPSA-N 1 0 376.498 -1.049 20 0 GAADRO C[C@]1(F)C[NH2+]CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000579598821 530167199 /nfs/dbraw/zinc/16/71/99/530167199.db2.gz RYSIPOOMKHTMMH-ZBFHGGJFSA-N 1 0 376.498 -1.049 20 0 GAADRO Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2n(C)c1=O ZINC000579615936 1075769566 /nfs/dbraw/zinc/76/95/66/1075769566.db2.gz YCCLYYQWRVXUSP-NEPJUHHUSA-N 1 0 386.412 -1.414 20 0 GAADRO Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2n(C)c1=O ZINC000579615937 1075769584 /nfs/dbraw/zinc/76/95/84/1075769584.db2.gz YCCLYYQWRVXUSP-NWDGAFQWSA-N 1 0 386.412 -1.414 20 0 GAADRO Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2n(C)c1=O ZINC000579615938 1075769554 /nfs/dbraw/zinc/76/95/54/1075769554.db2.gz YCCLYYQWRVXUSP-RYUDHWBXSA-N 1 0 386.412 -1.414 20 0 GAADRO Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2n(C)c1=O ZINC000579615939 1075769524 /nfs/dbraw/zinc/76/95/24/1075769524.db2.gz YCCLYYQWRVXUSP-VXGBXAGGSA-N 1 0 386.412 -1.414 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000579616271 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/nfs/dbraw/zinc/52/87/76/1073528776.db2.gz GFCZCFYTVYCDDA-CABCVRRESA-N 1 0 387.440 -1.177 20 0 GAADRO CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000580215436 1073528834 /nfs/dbraw/zinc/52/88/34/1073528834.db2.gz GFCZCFYTVYCDDA-GJZGRUSLSA-N 1 0 387.440 -1.177 20 0 GAADRO CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000580215437 1073528959 /nfs/dbraw/zinc/52/89/59/1073528959.db2.gz GFCZCFYTVYCDDA-HUUCEWRRSA-N 1 0 387.440 -1.177 20 0 GAADRO CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000580215438 1073528902 /nfs/dbraw/zinc/52/89/02/1073528902.db2.gz GFCZCFYTVYCDDA-LSDHHAIUSA-N 1 0 387.440 -1.177 20 0 GAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000580215607 530083374 /nfs/dbraw/zinc/08/33/74/530083374.db2.gz QQVORIMAVQIGFI-LBPRGKRZSA-N 1 0 375.451 -2.814 20 0 GAADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)CC(N)=O)c(C)c[nH+]1 ZINC000580329256 530084786 /nfs/dbraw/zinc/08/47/86/530084786.db2.gz 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O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580436466 1073533424 /nfs/dbraw/zinc/53/34/24/1073533424.db2.gz XZCFXNMOMGTYJR-SJORKVTESA-N 1 0 379.505 -1.327 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1=O ZINC000580441894 1073533462 /nfs/dbraw/zinc/53/34/62/1073533462.db2.gz QFTCIAPIKAVLEC-KBPBESRZSA-N 1 0 392.460 -1.966 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1=O ZINC000580441895 1073533268 /nfs/dbraw/zinc/53/32/68/1073533268.db2.gz QFTCIAPIKAVLEC-KGLIPLIRSA-N 1 0 392.460 -1.966 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1=O ZINC000580441896 1073533903 /nfs/dbraw/zinc/53/39/03/1073533903.db2.gz QFTCIAPIKAVLEC-UONOGXRCSA-N 1 0 392.460 -1.966 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1=O ZINC000580441897 1073533914 /nfs/dbraw/zinc/53/39/14/1073533914.db2.gz QFTCIAPIKAVLEC-ZIAGYGMSSA-N 1 0 392.460 -1.966 20 0 GAADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000580534075 1073535613 /nfs/dbraw/zinc/53/56/13/1073535613.db2.gz QAPDWVYNRRDSBW-UHFFFAOYSA-N 1 0 381.477 -1.216 20 0 GAADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCN(C2CC2)CC1 ZINC000580536018 1073535631 /nfs/dbraw/zinc/53/56/31/1073535631.db2.gz DXNSAZCIMCTDLS-UHFFFAOYSA-N 1 0 381.521 -1.201 20 0 GAADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000580541038 1073535986 /nfs/dbraw/zinc/53/59/86/1073535986.db2.gz LGNGITFQCJSHOX-AWEZNQCLSA-N 1 0 397.501 -1.346 20 0 GAADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580541039 1073535670 /nfs/dbraw/zinc/53/56/70/1073535670.db2.gz LGNGITFQCJSHOX-CQSZACIVSA-N 1 0 397.501 -1.346 20 0 GAADRO CN(C)c1nc(N)nc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)n1 ZINC000580563654 1074890208 /nfs/dbraw/zinc/89/02/08/1074890208.db2.gz GTMSJVBADAHWSP-UHFFFAOYSA-N 1 0 376.425 -1.354 20 0 GAADRO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000580626561 1073537750 /nfs/dbraw/zinc/53/77/50/1073537750.db2.gz FBJUQZJWVGDGCT-INIZCTEOSA-N 1 0 393.488 -1.704 20 0 GAADRO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000580626562 1073537851 /nfs/dbraw/zinc/53/78/51/1073537851.db2.gz FBJUQZJWVGDGCT-MRXNPFEDSA-N 1 0 393.488 -1.704 20 0 GAADRO CNc1nc(NCCC2(O)CCOCC2)nc(NCCC2(O)CCOCC2)[nH+]1 ZINC000580655422 1073537695 /nfs/dbraw/zinc/53/76/95/1073537695.db2.gz YIJSNIQXKQVOAT-UHFFFAOYSA-N 1 0 396.492 -1.134 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CCN2C1=O ZINC000580660841 1073537802 /nfs/dbraw/zinc/53/78/02/1073537802.db2.gz WBSJACYXGJQQGT-DLBZAZTESA-N 1 0 385.468 -1.069 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CCN2C1=O ZINC000580660842 1073537642 /nfs/dbraw/zinc/53/76/42/1073537642.db2.gz WBSJACYXGJQQGT-IAGOWNOFSA-N 1 0 385.468 -1.069 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CCN2C1=O ZINC000580660844 1073537492 /nfs/dbraw/zinc/53/74/92/1073537492.db2.gz WBSJACYXGJQQGT-IRXDYDNUSA-N 1 0 385.468 -1.069 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CCN2C1=O ZINC000580660848 1073537426 /nfs/dbraw/zinc/53/74/26/1073537426.db2.gz WBSJACYXGJQQGT-SJORKVTESA-N 1 0 385.468 -1.069 20 0 GAADRO COc1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)nn1 ZINC000580664413 1074885685 /nfs/dbraw/zinc/88/56/85/1074885685.db2.gz QOPPGZNGUKFOLN-UHFFFAOYSA-N 1 0 378.433 -0.468 20 0 GAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000580713413 1073538100 /nfs/dbraw/zinc/53/81/00/1073538100.db2.gz OAJDFLLBRKHMDX-SECBINFHSA-N 1 0 383.438 -1.747 20 0 GAADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000580713414 1073538291 /nfs/dbraw/zinc/53/82/91/1073538291.db2.gz OAJDFLLBRKHMDX-VIFPVBQESA-N 1 0 383.438 -1.747 20 0 GAADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000580723943 1074726286 /nfs/dbraw/zinc/72/62/86/1074726286.db2.gz PAJIXISVHIUZPN-UHFFFAOYSA-N 1 0 381.433 -1.144 20 0 GAADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)cn1 ZINC000580726406 1073538270 /nfs/dbraw/zinc/53/82/70/1073538270.db2.gz SDNPPGVXUQIOJP-GUTXKFCHSA-N 1 0 389.460 -1.725 20 0 GAADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)cn1 ZINC000580726407 1073538246 /nfs/dbraw/zinc/53/82/46/1073538246.db2.gz SDNPPGVXUQIOJP-GZBFAFLISA-N 1 0 389.460 -1.725 20 0 GAADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)cn1 ZINC000580726408 1073538142 /nfs/dbraw/zinc/53/81/42/1073538142.db2.gz SDNPPGVXUQIOJP-KCQAQPDRSA-N 1 0 389.460 -1.725 20 0 GAADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)cn1 ZINC000580726409 1073538414 /nfs/dbraw/zinc/53/84/14/1073538414.db2.gz SDNPPGVXUQIOJP-YDHLFZDLSA-N 1 0 389.460 -1.725 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CCN2C1=O ZINC000580726521 1073538118 /nfs/dbraw/zinc/53/81/18/1073538118.db2.gz VQAOJRVKPIWNDY-CHWSQXEVSA-N 1 0 377.449 -1.275 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CCN2C1=O ZINC000580726522 1073538386 /nfs/dbraw/zinc/53/83/86/1073538386.db2.gz VQAOJRVKPIWNDY-OLZOCXBDSA-N 1 0 377.449 -1.275 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CCN2C1=O ZINC000580726523 1073538465 /nfs/dbraw/zinc/53/84/65/1073538465.db2.gz VQAOJRVKPIWNDY-QWHCGFSZSA-N 1 0 377.449 -1.275 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CCN2C1=O ZINC000580726524 1073538203 /nfs/dbraw/zinc/53/82/03/1073538203.db2.gz VQAOJRVKPIWNDY-STQMWFEESA-N 1 0 377.449 -1.275 20 0 GAADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000580726543 1073538359 /nfs/dbraw/zinc/53/83/59/1073538359.db2.gz WFQGQWKEPSNDNG-CABCVRRESA-N 1 0 387.440 -1.389 20 0 GAADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000580726544 1073538303 /nfs/dbraw/zinc/53/83/03/1073538303.db2.gz WFQGQWKEPSNDNG-GJZGRUSLSA-N 1 0 387.440 -1.389 20 0 GAADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000580726545 1073538332 /nfs/dbraw/zinc/53/83/32/1073538332.db2.gz WFQGQWKEPSNDNG-HUUCEWRRSA-N 1 0 387.440 -1.389 20 0 GAADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000580726546 1073538927 /nfs/dbraw/zinc/53/89/27/1073538927.db2.gz WFQGQWKEPSNDNG-LSDHHAIUSA-N 1 0 387.440 -1.389 20 0 GAADRO CC(C)C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)N1CCOCC1 ZINC000580764166 1073540902 /nfs/dbraw/zinc/54/09/02/1073540902.db2.gz TXBBSFKYLAYCNG-HNNXBMFYSA-N 1 0 383.493 -1.603 20 0 GAADRO CC(C)C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)N1CCOCC1 ZINC000580764167 1073540502 /nfs/dbraw/zinc/54/05/02/1073540502.db2.gz TXBBSFKYLAYCNG-OAHLLOKOSA-N 1 0 383.493 -1.603 20 0 GAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](Nc3ncccn3)C2)C1 ZINC000580774517 1073540870 /nfs/dbraw/zinc/54/08/70/1073540870.db2.gz TVOHIBHXDMANKQ-KBPBESRZSA-N 1 0 389.460 -1.197 20 0 GAADRO 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Cn1c2ccc(NC(=O)CCC(=O)N3CCCO[C@@H](C[NH3+])C3)nc2n(C)c1=O ZINC000582062109 1074888348 /nfs/dbraw/zinc/88/83/48/1074888348.db2.gz QYTPLKSVTGAMHM-LBPRGKRZSA-N 1 0 390.444 -0.433 20 0 GAADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000582062980 1073875379 /nfs/dbraw/zinc/87/53/79/1073875379.db2.gz JGRSJMUPCCVXDH-KKUMJFAQSA-N 1 0 383.493 -1.380 20 0 GAADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000582062981 1073875015 /nfs/dbraw/zinc/87/50/15/1073875015.db2.gz JGRSJMUPCCVXDH-RRFJBIMHSA-N 1 0 383.493 -1.380 20 0 GAADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000582062982 1073585584 /nfs/dbraw/zinc/58/55/84/1073585584.db2.gz JGRSJMUPCCVXDH-SOUVJXGZSA-N 1 0 383.493 -1.380 20 0 GAADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000582062983 1073585676 /nfs/dbraw/zinc/58/56/76/1073585676.db2.gz JGRSJMUPCCVXDH-ZNMIVQPWSA-N 1 0 383.493 -1.380 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN([C@H]2CC(=O)N(CCOCCO)C2=O)CC1 ZINC000582067120 1073585439 /nfs/dbraw/zinc/58/54/39/1073585439.db2.gz GBISJMFANCNQMD-HNNXBMFYSA-N 1 0 382.461 -1.637 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN([C@@H]2CC(=O)N(CCOCCO)C2=O)CC1 ZINC000582067121 1073586567 /nfs/dbraw/zinc/58/65/67/1073586567.db2.gz GBISJMFANCNQMD-OAHLLOKOSA-N 1 0 382.461 -1.637 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCN2C)c2ccccc2O1 ZINC000582169686 1073587606 /nfs/dbraw/zinc/58/76/06/1073587606.db2.gz ISFGUTFVHKWSGW-DOMZBBRYSA-N 1 0 376.413 -1.027 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCN2C)c2ccccc2O1 ZINC000582169687 1073587922 /nfs/dbraw/zinc/58/79/22/1073587922.db2.gz ISFGUTFVHKWSGW-IUODEOHRSA-N 1 0 376.413 -1.027 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCN2C)c2ccccc2O1 ZINC000582169688 1073587558 /nfs/dbraw/zinc/58/75/58/1073587558.db2.gz ISFGUTFVHKWSGW-SWLSCSKDSA-N 1 0 376.413 -1.027 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCN2C)c2ccccc2O1 ZINC000582169689 1073588483 /nfs/dbraw/zinc/58/84/83/1073588483.db2.gz ISFGUTFVHKWSGW-WFASDCNBSA-N 1 0 376.413 -1.027 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c(=O)n2C ZINC000582222935 1073588335 /nfs/dbraw/zinc/58/83/35/1073588335.db2.gz DVPCZQVYGDYSIX-GFCCVEGCSA-N 1 0 378.433 -1.603 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c(=O)n2C ZINC000582222936 1073588269 /nfs/dbraw/zinc/58/82/69/1073588269.db2.gz DVPCZQVYGDYSIX-LBPRGKRZSA-N 1 0 378.433 -1.603 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000582227471 1073588866 /nfs/dbraw/zinc/58/88/66/1073588866.db2.gz GOOBBIFRKSFURD-HNNXBMFYSA-N 1 0 391.472 -1.415 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000582227472 1073588913 /nfs/dbraw/zinc/58/89/13/1073588913.db2.gz GOOBBIFRKSFURD-OAHLLOKOSA-N 1 0 391.472 -1.415 20 0 GAADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)COC)CC2)CC1 ZINC000582258246 1073589092 /nfs/dbraw/zinc/58/90/92/1073589092.db2.gz JFPNMNOPKFBENG-UHFFFAOYSA-N 1 0 384.477 -1.079 20 0 GAADRO Cn1c(C(=O)NCCCN2CC[NH+](C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000582292365 1073590693 /nfs/dbraw/zinc/59/06/93/1073590693.db2.gz PPFVQFRADBCNJE-UHFFFAOYSA-N 1 0 376.461 -1.057 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)[C@@H](C[NH3+])C1 ZINC000582295339 1073591468 /nfs/dbraw/zinc/59/14/68/1073591468.db2.gz BCMUMYBYHHHQTB-AWEZNQCLSA-N 1 0 389.456 -1.222 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)[C@H](C[NH3+])C1 ZINC000582295340 1073591379 /nfs/dbraw/zinc/59/13/79/1073591379.db2.gz BCMUMYBYHHHQTB-CQSZACIVSA-N 1 0 389.456 -1.222 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC3(CNC(=O)N3C)CC2)CC1 ZINC000582297717 1073591484 /nfs/dbraw/zinc/59/14/84/1073591484.db2.gz YRASZHDQYPNUOZ-UHFFFAOYSA-N 1 0 380.493 -1.292 20 0 GAADRO COC(=O)C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000582298799 1073591311 /nfs/dbraw/zinc/59/13/11/1073591311.db2.gz DMIRWLUEVAWCDX-ZDUSSCGKSA-N 1 0 399.473 -1.460 20 0 GAADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000582307711 530105065 /nfs/dbraw/zinc/10/50/65/530105065.db2.gz YXOZSLROPVVTCI-UHFFFAOYSA-N 1 0 376.479 -1.683 20 0 GAADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582312841 1073591166 /nfs/dbraw/zinc/59/11/66/1073591166.db2.gz MKCUUGHRYSQBDE-NEPJUHHUSA-N 1 0 389.478 -2.455 20 0 GAADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582312842 1073592024 /nfs/dbraw/zinc/59/20/24/1073592024.db2.gz MKCUUGHRYSQBDE-NWDGAFQWSA-N 1 0 389.478 -2.455 20 0 GAADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582312843 1073592039 /nfs/dbraw/zinc/59/20/39/1073592039.db2.gz MKCUUGHRYSQBDE-RYUDHWBXSA-N 1 0 389.478 -2.455 20 0 GAADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582312844 1073591886 /nfs/dbraw/zinc/59/18/86/1073591886.db2.gz MKCUUGHRYSQBDE-VXGBXAGGSA-N 1 0 389.478 -2.455 20 0 GAADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CCSC1 ZINC000582351071 1073592474 /nfs/dbraw/zinc/59/24/74/1073592474.db2.gz FNPBRULVZNFCBZ-KRWDZBQOSA-N 1 0 385.534 -1.052 20 0 GAADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CCSC1 ZINC000582351072 1073592669 /nfs/dbraw/zinc/59/26/69/1073592669.db2.gz FNPBRULVZNFCBZ-QGZVFWFLSA-N 1 0 385.534 -1.052 20 0 GAADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000582385134 1073592530 /nfs/dbraw/zinc/59/25/30/1073592530.db2.gz OXZLNGDPYIHAEM-CYBMUJFWSA-N 1 0 387.462 -1.189 20 0 GAADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000582385135 1073592341 /nfs/dbraw/zinc/59/23/41/1073592341.db2.gz OXZLNGDPYIHAEM-ZDUSSCGKSA-N 1 0 387.462 -1.189 20 0 GAADRO CC[NH2+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000582410721 1073594290 /nfs/dbraw/zinc/59/42/90/1073594290.db2.gz FHVDVSNLJQDQRT-UHFFFAOYSA-N 1 0 391.494 -2.177 20 0 GAADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000582410911 1073594173 /nfs/dbraw/zinc/59/41/73/1073594173.db2.gz FJPUEVLBBIBDDH-BZUAXINKSA-N 1 0 395.504 -1.365 20 0 GAADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000582410912 1073594323 /nfs/dbraw/zinc/59/43/23/1073594323.db2.gz FJPUEVLBBIBDDH-OAGGEKHMSA-N 1 0 395.504 -1.365 20 0 GAADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000582410913 1073594298 /nfs/dbraw/zinc/59/42/98/1073594298.db2.gz FJPUEVLBBIBDDH-OWCLPIDISA-N 1 0 395.504 -1.365 20 0 GAADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000582410914 1073594263 /nfs/dbraw/zinc/59/42/63/1073594263.db2.gz FJPUEVLBBIBDDH-XHSDSOJGSA-N 1 0 395.504 -1.365 20 0 GAADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582419401 1073594848 /nfs/dbraw/zinc/59/48/48/1073594848.db2.gz FCAUZWRGINHORK-GFCCVEGCSA-N 1 0 383.474 -1.044 20 0 GAADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582419402 1073595110 /nfs/dbraw/zinc/59/51/10/1073595110.db2.gz FCAUZWRGINHORK-LBPRGKRZSA-N 1 0 383.474 -1.044 20 0 GAADRO O=C(CN1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1)N1CCOCC1 ZINC000582423190 1073595172 /nfs/dbraw/zinc/59/51/72/1073595172.db2.gz LMGPYHCVPVXZTL-HNNXBMFYSA-N 1 0 391.476 -1.353 20 0 GAADRO O=C(CN1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1)N1CCOCC1 ZINC000582423191 1073594897 /nfs/dbraw/zinc/59/48/97/1073594897.db2.gz LMGPYHCVPVXZTL-OAHLLOKOSA-N 1 0 391.476 -1.353 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1 ZINC000582428485 1073595178 /nfs/dbraw/zinc/59/51/78/1073595178.db2.gz POLYRQSEIYLFRM-AWEZNQCLSA-N 1 0 379.461 -1.510 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1 ZINC000582428486 1073594938 /nfs/dbraw/zinc/59/49/38/1073594938.db2.gz POLYRQSEIYLFRM-CQSZACIVSA-N 1 0 379.461 -1.510 20 0 GAADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582431510 1073595158 /nfs/dbraw/zinc/59/51/58/1073595158.db2.gz HPQNNCNRIDQRDF-KGYLQXTDSA-N 1 0 398.489 -1.526 20 0 GAADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582431511 1073595092 /nfs/dbraw/zinc/59/50/92/1073595092.db2.gz HPQNNCNRIDQRDF-RAIGVLPGSA-N 1 0 398.489 -1.526 20 0 GAADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582431512 1073594911 /nfs/dbraw/zinc/59/49/11/1073594911.db2.gz HPQNNCNRIDQRDF-RTXFEEFZSA-N 1 0 398.489 -1.526 20 0 GAADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582431513 1073594873 /nfs/dbraw/zinc/59/48/73/1073594873.db2.gz HPQNNCNRIDQRDF-WXHSDQCUSA-N 1 0 398.489 -1.526 20 0 GAADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000582451305 1073595918 /nfs/dbraw/zinc/59/59/18/1073595918.db2.gz DTNJSEMKOYPQPT-ILXRZTDVSA-N 1 0 393.488 -1.218 20 0 GAADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000582451306 1073595792 /nfs/dbraw/zinc/59/57/92/1073595792.db2.gz DTNJSEMKOYPQPT-KFWWJZLASA-N 1 0 393.488 -1.218 20 0 GAADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000582451307 1073595701 /nfs/dbraw/zinc/59/57/01/1073595701.db2.gz DTNJSEMKOYPQPT-QLFBSQMISA-N 1 0 393.488 -1.218 20 0 GAADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000582451308 1073595839 /nfs/dbraw/zinc/59/58/39/1073595839.db2.gz DTNJSEMKOYPQPT-RBSFLKMASA-N 1 0 393.488 -1.218 20 0 GAADRO C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C(=O)NCC[NH+](C)C ZINC000582509062 530107046 /nfs/dbraw/zinc/10/70/46/530107046.db2.gz SHKVMAHWBHYLSP-MRVPVSSYSA-N 1 0 390.238 -1.106 20 0 GAADRO C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C(=O)NCC[NH+](C)C ZINC000582509076 530107084 /nfs/dbraw/zinc/10/70/84/530107084.db2.gz SHKVMAHWBHYLSP-QMMMGPOBSA-N 1 0 390.238 -1.106 20 0 GAADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000582558112 1073597377 /nfs/dbraw/zinc/59/73/77/1073597377.db2.gz KKZVOZYVQISAFY-LBPRGKRZSA-N 1 0 390.469 -1.122 20 0 GAADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000582606777 530106942 /nfs/dbraw/zinc/10/69/42/530106942.db2.gz VWXQGFGMWMHMQT-GFCCVEGCSA-N 1 0 378.451 -2.012 20 0 GAADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000582606778 530107049 /nfs/dbraw/zinc/10/70/49/530107049.db2.gz VWXQGFGMWMHMQT-LBPRGKRZSA-N 1 0 378.451 -2.012 20 0 GAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000582615135 1073599087 /nfs/dbraw/zinc/59/90/87/1073599087.db2.gz RFDNOYVXCMRLRE-GJZGRUSLSA-N 1 0 388.476 -1.381 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000582616943 1073599007 /nfs/dbraw/zinc/59/90/07/1073599007.db2.gz IMKVGNRWEFUSIC-UHFFFAOYSA-N 1 0 393.488 -1.074 20 0 GAADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 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ZINC000592558064 530086294 /nfs/dbraw/zinc/08/62/94/530086294.db2.gz VXOVAUOXZDHOBA-CQSZACIVSA-N 1 0 376.527 -1.244 20 0 GAADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000592558901 1074529103 /nfs/dbraw/zinc/52/91/03/1074529103.db2.gz SFXMZQHKNSCVCW-AWEZNQCLSA-N 1 0 379.469 -1.837 20 0 GAADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000592558915 1074529124 /nfs/dbraw/zinc/52/91/24/1074529124.db2.gz SFXMZQHKNSCVCW-CQSZACIVSA-N 1 0 379.469 -1.837 20 0 GAADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC(S(=O)(=O)N4CCNCC4)C3)c21 ZINC000592566611 1074529198 /nfs/dbraw/zinc/52/91/98/1074529198.db2.gz OYWAVBNHCBFFKY-GFCCVEGCSA-N 1 0 382.490 -1.221 20 0 GAADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC(S(=O)(=O)N4CCNCC4)C3)c21 ZINC000592566616 1074529170 /nfs/dbraw/zinc/52/91/70/1074529170.db2.gz OYWAVBNHCBFFKY-LBPRGKRZSA-N 1 0 382.490 -1.221 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000592628224 530086347 /nfs/dbraw/zinc/08/63/47/530086347.db2.gz OFKPSWNUVAFRNY-CYBMUJFWSA-N 1 0 376.479 -1.731 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000592628227 530086079 /nfs/dbraw/zinc/08/60/79/530086079.db2.gz OFKPSWNUVAFRNY-ZDUSSCGKSA-N 1 0 376.479 -1.731 20 0 GAADRO C[NH+](C)CCN1C(=O)C[C@H](N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1=O ZINC000592825398 1074529465 /nfs/dbraw/zinc/52/94/65/1074529465.db2.gz UHJMBHIKOPUUDH-AWEZNQCLSA-N 1 0 379.461 -1.558 20 0 GAADRO C[NH+](C)CCN1C(=O)C[C@@H](N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1=O ZINC000592825399 1074529557 /nfs/dbraw/zinc/52/95/57/1074529557.db2.gz UHJMBHIKOPUUDH-CQSZACIVSA-N 1 0 379.461 -1.558 20 0 GAADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000592961954 1074530608 /nfs/dbraw/zinc/53/06/08/1074530608.db2.gz BKYRDEDVXSAECU-CABCVRRESA-N 1 0 382.461 -1.469 20 0 GAADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000592961955 1074530673 /nfs/dbraw/zinc/53/06/73/1074530673.db2.gz BKYRDEDVXSAECU-GJZGRUSLSA-N 1 0 382.461 -1.469 20 0 GAADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000592961956 1074530517 /nfs/dbraw/zinc/53/05/17/1074530517.db2.gz BKYRDEDVXSAECU-HUUCEWRRSA-N 1 0 382.461 -1.469 20 0 GAADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000592961957 1074530655 /nfs/dbraw/zinc/53/06/55/1074530655.db2.gz BKYRDEDVXSAECU-LSDHHAIUSA-N 1 0 382.461 -1.469 20 0 GAADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000592964201 1074530971 /nfs/dbraw/zinc/53/09/71/1074530971.db2.gz PWAZQNKXWZUSHK-GFCCVEGCSA-N 1 0 389.412 -1.082 20 0 GAADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000592964213 1074530951 /nfs/dbraw/zinc/53/09/51/1074530951.db2.gz PWAZQNKXWZUSHK-LBPRGKRZSA-N 1 0 389.412 -1.082 20 0 GAADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000592964519 1074530930 /nfs/dbraw/zinc/53/09/30/1074530930.db2.gz REQZRLMHXYGXCY-GFCCVEGCSA-N 1 0 389.412 -1.082 20 0 GAADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000592964521 1074530943 /nfs/dbraw/zinc/53/09/43/1074530943.db2.gz REQZRLMHXYGXCY-LBPRGKRZSA-N 1 0 389.412 -1.082 20 0 GAADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000592964961 1074531005 /nfs/dbraw/zinc/53/10/05/1074531005.db2.gz UQZQSSLZEMYXIT-GFCCVEGCSA-N 1 0 375.385 -1.391 20 0 GAADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000592964963 1074530856 /nfs/dbraw/zinc/53/08/56/1074530856.db2.gz UQZQSSLZEMYXIT-LBPRGKRZSA-N 1 0 375.385 -1.391 20 0 GAADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000592964966 1074530871 /nfs/dbraw/zinc/53/08/71/1074530871.db2.gz UUGBHDDPYZPIBP-GFCCVEGCSA-N 1 0 375.385 -1.391 20 0 GAADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000592964967 1074531015 /nfs/dbraw/zinc/53/10/15/1074531015.db2.gz UUGBHDDPYZPIBP-LBPRGKRZSA-N 1 0 375.385 -1.391 20 0 GAADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000592982318 1074530849 /nfs/dbraw/zinc/53/08/49/1074530849.db2.gz AQEVZJDKDIVCFN-HNNXBMFYSA-N 1 0 397.520 -1.118 20 0 GAADRO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000592982319 1074530899 /nfs/dbraw/zinc/53/08/99/1074530899.db2.gz AQEVZJDKDIVCFN-OAHLLOKOSA-N 1 0 397.520 -1.118 20 0 GAADRO COC(=O)[C@H]1C[NH2+]CCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000592983209 1074530924 /nfs/dbraw/zinc/53/09/24/1074530924.db2.gz VDDGFNVBBHSWSI-GFCCVEGCSA-N 1 0 378.433 -1.339 20 0 GAADRO COC(=O)[C@@H]1C[NH2+]CCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000592983210 1074530831 /nfs/dbraw/zinc/53/08/31/1074530831.db2.gz VDDGFNVBBHSWSI-LBPRGKRZSA-N 1 0 378.433 -1.339 20 0 GAADRO C[NH+](C)CCN1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000593051513 1074530815 /nfs/dbraw/zinc/53/08/15/1074530815.db2.gz PKSWRDQCPXYWDA-GFCCVEGCSA-N 1 0 389.478 -2.295 20 0 GAADRO C[NH+](C)CCN1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000593051522 1074531279 /nfs/dbraw/zinc/53/12/79/1074531279.db2.gz PKSWRDQCPXYWDA-LBPRGKRZSA-N 1 0 389.478 -2.295 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000593148297 1074532072 /nfs/dbraw/zinc/53/20/72/1074532072.db2.gz VTFOJZHXKJEWOB-UHFFFAOYSA-N 1 0 394.476 -1.370 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCCOCC1 ZINC000593590474 530086396 /nfs/dbraw/zinc/08/63/96/530086396.db2.gz JEFHRSCCXXELPQ-UHFFFAOYSA-N 1 0 378.495 -1.324 20 0 GAADRO COC(=O)C1CCN(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000593620533 530086360 /nfs/dbraw/zinc/08/63/60/530086360.db2.gz AZSZGUIUDIUGBH-UHFFFAOYSA-N 1 0 376.479 -1.178 20 0 GAADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593622667 530086158 /nfs/dbraw/zinc/08/61/58/530086158.db2.gz QUPSMRMGXZUSSZ-CYBMUJFWSA-N 1 0 376.479 -1.036 20 0 GAADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593622668 530086057 /nfs/dbraw/zinc/08/60/57/530086057.db2.gz QUPSMRMGXZUSSZ-ZDUSSCGKSA-N 1 0 376.479 -1.036 20 0 GAADRO COC(=O)[C@@H]1CN(C)CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000593639784 1074532829 /nfs/dbraw/zinc/53/28/29/1074532829.db2.gz ARIKQDVVULNKFB-CYBMUJFWSA-N 1 0 380.449 -1.054 20 0 GAADRO COC(=O)[C@H]1CN(C)CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000593639788 1074532908 /nfs/dbraw/zinc/53/29/08/1074532908.db2.gz ARIKQDVVULNKFB-ZDUSSCGKSA-N 1 0 380.449 -1.054 20 0 GAADRO COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000593640235 1074532801 /nfs/dbraw/zinc/53/28/01/1074532801.db2.gz ZMVOWEYGUVMEAB-CYBMUJFWSA-N 1 0 394.432 -1.337 20 0 GAADRO COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000593640239 1074532743 /nfs/dbraw/zinc/53/27/43/1074532743.db2.gz ZMVOWEYGUVMEAB-ZDUSSCGKSA-N 1 0 394.432 -1.337 20 0 GAADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593675792 1074532860 /nfs/dbraw/zinc/53/28/60/1074532860.db2.gz COVMRUVOBRZXBL-UHFFFAOYSA-N 1 0 394.432 -1.232 20 0 GAADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000593676376 1074883478 /nfs/dbraw/zinc/88/34/78/1074883478.db2.gz GMKFPMKIVMCYCI-UHFFFAOYSA-N 1 0 395.420 -1.988 20 0 GAADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593676440 1074533119 /nfs/dbraw/zinc/53/31/19/1074533119.db2.gz ITUYIJLFRDPNEB-UHFFFAOYSA-N 1 0 380.405 -1.622 20 0 GAADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593676625 1074532778 /nfs/dbraw/zinc/53/27/78/1074532778.db2.gz MIHHGLSNHBCFCJ-UHFFFAOYSA-N 1 0 394.432 -1.232 20 0 GAADRO COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1C ZINC000593677150 1074532871 /nfs/dbraw/zinc/53/28/71/1074532871.db2.gz RWDJLQBHWNHNTN-UHFFFAOYSA-N 1 0 394.432 -1.465 20 0 GAADRO COC(=O)c1cc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn1C ZINC000593677234 1074532809 /nfs/dbraw/zinc/53/28/09/1074532809.db2.gz VNAWJZOKIVLDFX-UHFFFAOYSA-N 1 0 379.417 -1.017 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000593681170 1074533156 /nfs/dbraw/zinc/53/31/56/1074533156.db2.gz VKLXWGLNIDWVNX-AWEZNQCLSA-N 1 0 379.465 -1.125 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000593681171 1074533170 /nfs/dbraw/zinc/53/31/70/1074533170.db2.gz VKLXWGLNIDWVNX-CQSZACIVSA-N 1 0 379.465 -1.125 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H]1C1CC1 ZINC000593753208 1074533561 /nfs/dbraw/zinc/53/35/61/1074533561.db2.gz XIIOPPLVICGVRS-LSDHHAIUSA-N 1 0 394.472 -1.124 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H](C)O1 ZINC000593771608 1074534000 /nfs/dbraw/zinc/53/40/00/1074534000.db2.gz XMAAEZXGYPXUAG-AAEUAGOBSA-N 1 0 392.416 -1.386 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)C[C@H]1C[NH3+] ZINC000593783849 1074534043 /nfs/dbraw/zinc/53/40/43/1074534043.db2.gz DDNLEDIVSQBBKZ-RBSFLKMASA-N 1 0 384.477 -1.096 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000593783850 1074533937 /nfs/dbraw/zinc/53/39/37/1074533937.db2.gz DDNLEDIVSQBBKZ-RRFJBIMHSA-N 1 0 384.477 -1.096 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H]1C1CC1 ZINC000593784575 1074533979 /nfs/dbraw/zinc/53/39/79/1074533979.db2.gz RLLVYDCZRNDQKZ-QLFBSQMISA-N 1 0 394.472 -1.043 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H]1C1CC1 ZINC000593784576 1074534024 /nfs/dbraw/zinc/53/40/24/1074534024.db2.gz RLLVYDCZRNDQKZ-SOUVJXGZSA-N 1 0 394.472 -1.043 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)C[C@H]1C[NH3+] ZINC000593785236 1074534010 /nfs/dbraw/zinc/53/40/10/1074534010.db2.gz ZHTODXREBXPOFY-ZIAGYGMSSA-N 1 0 384.477 -1.096 20 0 GAADRO Cc1nc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cn1C ZINC000593896713 1074534997 /nfs/dbraw/zinc/53/49/97/1074534997.db2.gz YWOHXLPIDUQLNO-GFCCVEGCSA-N 1 0 386.478 -1.537 20 0 GAADRO Cc1nc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cn1C ZINC000593896714 1074535189 /nfs/dbraw/zinc/53/51/89/1074535189.db2.gz YWOHXLPIDUQLNO-LBPRGKRZSA-N 1 0 386.478 -1.537 20 0 GAADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593924935 1074534532 /nfs/dbraw/zinc/53/45/32/1074534532.db2.gz LTJVHHVNOZGJIO-CHWSQXEVSA-N 1 0 385.465 -1.142 20 0 GAADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593924936 1074534509 /nfs/dbraw/zinc/53/45/09/1074534509.db2.gz LTJVHHVNOZGJIO-OLZOCXBDSA-N 1 0 385.465 -1.142 20 0 GAADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593924937 1074534612 /nfs/dbraw/zinc/53/46/12/1074534612.db2.gz LTJVHHVNOZGJIO-QWHCGFSZSA-N 1 0 385.465 -1.142 20 0 GAADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593924938 1074534448 /nfs/dbraw/zinc/53/44/48/1074534448.db2.gz LTJVHHVNOZGJIO-STQMWFEESA-N 1 0 385.465 -1.142 20 0 GAADRO Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CC2 ZINC000593927524 1074534499 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/nfs/dbraw/zinc/53/74/00/1074537400.db2.gz SIBLZGXRYHETSE-SOUVJXGZSA-N 1 0 382.461 -1.640 20 0 GAADRO CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000594537562 1074537348 /nfs/dbraw/zinc/53/73/48/1074537348.db2.gz UWNYLGATRAEJCD-BFHYXJOUSA-N 1 0 383.445 -1.167 20 0 GAADRO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000594537568 1074537297 /nfs/dbraw/zinc/53/72/97/1074537297.db2.gz UWNYLGATRAEJCD-MJBXVCDLSA-N 1 0 383.445 -1.167 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000594824295 1074537742 /nfs/dbraw/zinc/53/77/42/1074537742.db2.gz JPWFPCUKBSNMFH-UHFFFAOYSA-N 1 0 380.449 -1.122 20 0 GAADRO CN1C(=O)c2ccc(S(=O)(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2C1=O ZINC000594874825 1074538625 /nfs/dbraw/zinc/53/86/25/1074538625.db2.gz ZXFPTSMQQNUHCA-NOZJJQNGSA-N 1 0 378.410 -1.155 20 0 GAADRO CN1C(=O)c2ccc(S(=O)(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2C1=O ZINC000594874826 1074538607 /nfs/dbraw/zinc/53/86/07/1074538607.db2.gz ZXFPTSMQQNUHCA-RNCFNFMXSA-N 1 0 378.410 -1.155 20 0 GAADRO CN1C(=O)c2ccc(S(=O)(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2C1=O ZINC000594874827 1074538564 /nfs/dbraw/zinc/53/85/64/1074538564.db2.gz ZXFPTSMQQNUHCA-TVQRCGJNSA-N 1 0 378.410 -1.155 20 0 GAADRO CN1C(=O)c2ccc(S(=O)(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2C1=O ZINC000594874828 1074538519 /nfs/dbraw/zinc/53/85/19/1074538519.db2.gz ZXFPTSMQQNUHCA-ZANVPECISA-N 1 0 378.410 -1.155 20 0 GAADRO CC(C)N(CCCNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)S(C)(=O)=O ZINC000594875349 1074538460 /nfs/dbraw/zinc/53/84/60/1074538460.db2.gz CCFSNUHBSKDPQT-KBPBESRZSA-N 1 0 389.522 -1.594 20 0 GAADRO CC(C)N(CCCNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)S(C)(=O)=O ZINC000594875350 1074538590 /nfs/dbraw/zinc/53/85/90/1074538590.db2.gz CCFSNUHBSKDPQT-KGLIPLIRSA-N 1 0 389.522 -1.594 20 0 GAADRO CC(C)N(CCCNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)S(C)(=O)=O ZINC000594875351 1074538644 /nfs/dbraw/zinc/53/86/44/1074538644.db2.gz CCFSNUHBSKDPQT-UONOGXRCSA-N 1 0 389.522 -1.594 20 0 GAADRO CC(C)N(CCCNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)S(C)(=O)=O ZINC000594875352 1074538615 /nfs/dbraw/zinc/53/86/15/1074538615.db2.gz CCFSNUHBSKDPQT-ZIAGYGMSSA-N 1 0 389.522 -1.594 20 0 GAADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875881 1074538548 /nfs/dbraw/zinc/53/85/48/1074538548.db2.gz XSNCMUHNIJEZBX-MPKXVKKWSA-N 1 0 381.458 -1.095 20 0 GAADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875882 1074538637 /nfs/dbraw/zinc/53/86/37/1074538637.db2.gz XSNCMUHNIJEZBX-OSMZGAPFSA-N 1 0 381.458 -1.095 20 0 GAADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875883 1074538333 /nfs/dbraw/zinc/53/83/33/1074538333.db2.gz XSNCMUHNIJEZBX-QKCSRTOESA-N 1 0 381.458 -1.095 20 0 GAADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875884 1074538579 /nfs/dbraw/zinc/53/85/79/1074538579.db2.gz XSNCMUHNIJEZBX-SCDSUCTJSA-N 1 0 381.458 -1.095 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)c(=O)n2C ZINC000594877319 1074538388 /nfs/dbraw/zinc/53/83/88/1074538388.db2.gz JUPRIJGQQMKQPO-NXEZZACHSA-N 1 0 375.389 -2.796 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)c(=O)n2C ZINC000594877320 1074538355 /nfs/dbraw/zinc/53/83/55/1074538355.db2.gz JUPRIJGQQMKQPO-UWVGGRQHSA-N 1 0 375.389 -2.796 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCN3C(=O)[C@H]([NH3+])C[C@H]3C1)c(=O)n2C ZINC000594877321 1074538412 /nfs/dbraw/zinc/53/84/12/1074538412.db2.gz JUPRIJGQQMKQPO-VHSXEESVSA-N 1 0 375.389 -2.796 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)c(=O)n2C ZINC000594877322 1074538602 /nfs/dbraw/zinc/53/86/02/1074538602.db2.gz JUPRIJGQQMKQPO-ZJUUUORDSA-N 1 0 375.389 -2.796 20 0 GAADRO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594877343 1074538440 /nfs/dbraw/zinc/53/84/40/1074538440.db2.gz LYKOPRRTLHWJNH-ADEWGFFLSA-N 1 0 385.446 -1.271 20 0 GAADRO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594877344 1074538650 /nfs/dbraw/zinc/53/86/50/1074538650.db2.gz LYKOPRRTLHWJNH-JLLWLGSASA-N 1 0 385.446 -1.271 20 0 GAADRO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594877345 1074538630 /nfs/dbraw/zinc/53/86/30/1074538630.db2.gz LYKOPRRTLHWJNH-USWWRNFRSA-N 1 0 385.446 -1.271 20 0 GAADRO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594877346 1074538491 /nfs/dbraw/zinc/53/84/91/1074538491.db2.gz LYKOPRRTLHWJNH-YUSALJHKSA-N 1 0 385.446 -1.271 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CCN2C1=O ZINC000594877536 530087181 /nfs/dbraw/zinc/08/71/81/530087181.db2.gz UAKWIJQMPLHXRV-APPZFPTMSA-N 1 0 386.206 -1.518 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CCN2C1=O ZINC000594877537 530087416 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CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595979553 1074547047 /nfs/dbraw/zinc/54/70/47/1074547047.db2.gz AMJZSWOXBSYMPU-ZIAGYGMSSA-N 1 0 394.476 -2.574 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccccn4)CC3)CCN2C1=O ZINC000595979618 1074547014 /nfs/dbraw/zinc/54/70/14/1074547014.db2.gz AUGCBBRNIFQPJF-CVEARBPZSA-N 1 0 386.456 -1.504 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(Cc4ccccn4)CC3)CCN2C1=O ZINC000595979619 1074547280 /nfs/dbraw/zinc/54/72/80/1074547280.db2.gz AUGCBBRNIFQPJF-HOTGVXAUSA-N 1 0 386.456 -1.504 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccccn4)CC3)CCN2C1=O ZINC000595979620 1074547640 /nfs/dbraw/zinc/54/76/40/1074547640.db2.gz AUGCBBRNIFQPJF-HZPDHXFCSA-N 1 0 386.456 -1.504 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(Cc4ccccn4)CC3)CCN2C1=O ZINC000595979621 1074547652 /nfs/dbraw/zinc/54/76/52/1074547652.db2.gz AUGCBBRNIFQPJF-JKSUJKDBSA-N 1 0 386.456 -1.504 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(Cc4cscn4)CC3)CCN2C1=O ZINC000595979714 1074549263 /nfs/dbraw/zinc/54/92/63/1074549263.db2.gz CUKJZWLDLKGMLH-KBPBESRZSA-N 1 0 392.485 -1.442 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4cscn4)CC3)CCN2C1=O ZINC000595979715 1074549193 /nfs/dbraw/zinc/54/91/93/1074549193.db2.gz CUKJZWLDLKGMLH-KGLIPLIRSA-N 1 0 392.485 -1.442 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(Cc4cscn4)CC3)CCN2C1=O ZINC000595979716 1074549309 /nfs/dbraw/zinc/54/93/09/1074549309.db2.gz CUKJZWLDLKGMLH-UONOGXRCSA-N 1 0 392.485 -1.442 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4cscn4)CC3)CCN2C1=O ZINC000595979718 1074549176 /nfs/dbraw/zinc/54/91/76/1074549176.db2.gz CUKJZWLDLKGMLH-ZIAGYGMSSA-N 1 0 392.485 -1.442 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCN(c4nccs4)CC3)CCN2C1=O ZINC000595979785 1074549455 /nfs/dbraw/zinc/54/94/55/1074549455.db2.gz DDMRYRSDOUHRJD-CHWSQXEVSA-N 1 0 392.485 -1.048 20 0 GAADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCN(c4nccs4)CC3)CCN2C1=O ZINC000595979791 1074549439 /nfs/dbraw/zinc/54/94/39/1074549439.db2.gz DDMRYRSDOUHRJD-OLZOCXBDSA-N 1 0 392.485 -1.048 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCCN(c4nccs4)CC3)CCN2C1=O ZINC000595979793 1074549276 /nfs/dbraw/zinc/54/92/76/1074549276.db2.gz DDMRYRSDOUHRJD-QWHCGFSZSA-N 1 0 392.485 -1.048 20 0 GAADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CCCN(c4nccs4)CC3)CCN2C1=O ZINC000595979795 1074549368 /nfs/dbraw/zinc/54/93/68/1074549368.db2.gz DDMRYRSDOUHRJD-STQMWFEESA-N 1 0 392.485 -1.048 20 0 GAADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000595979853 1074548745 /nfs/dbraw/zinc/54/87/45/1074548745.db2.gz GDEOORMJZJQLTL-IHRRRGAJSA-N 1 0 392.485 -1.193 20 0 GAADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000595979858 1074548866 /nfs/dbraw/zinc/54/88/66/1074548866.db2.gz GDEOORMJZJQLTL-MCIONIFRSA-N 1 0 392.485 -1.193 20 0 GAADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000595979861 1074549396 /nfs/dbraw/zinc/54/93/96/1074549396.db2.gz GDEOORMJZJQLTL-MJBXVCDLSA-N 1 0 392.485 -1.193 20 0 GAADRO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000595979863 1074549406 /nfs/dbraw/zinc/54/94/06/1074549406.db2.gz GDEOORMJZJQLTL-RDBSUJKOSA-N 1 0 392.485 -1.193 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)CCN2C1=O ZINC000595980034 1074548722 /nfs/dbraw/zinc/54/87/22/1074548722.db2.gz CQWIGXFKSFYZRN-QLFBSQMISA-N 1 0 379.461 -1.920 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)CCN2C1=O ZINC000595980035 1074548844 /nfs/dbraw/zinc/54/88/44/1074548844.db2.gz CQWIGXFKSFYZRN-RBSFLKMASA-N 1 0 379.461 -1.920 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)CCN2C1=O ZINC000595980036 1074548536 /nfs/dbraw/zinc/54/85/36/1074548536.db2.gz CQWIGXFKSFYZRN-RRFJBIMHSA-N 1 0 379.461 -1.920 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)CCN2C1=O ZINC000595980037 1074548790 /nfs/dbraw/zinc/54/87/90/1074548790.db2.gz CQWIGXFKSFYZRN-SOUVJXGZSA-N 1 0 379.461 -1.920 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)CCN2C1=O ZINC000595980189 1074548164 /nfs/dbraw/zinc/54/81/64/1074548164.db2.gz HDTZWYYVDYHJAM-QLFBSQMISA-N 1 0 379.461 -2.063 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)CCN2C1=O ZINC000595980190 1074548044 /nfs/dbraw/zinc/54/80/44/1074548044.db2.gz HDTZWYYVDYHJAM-RBSFLKMASA-N 1 0 379.461 -2.063 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)CCN2C1=O ZINC000595980191 1074548667 /nfs/dbraw/zinc/54/86/67/1074548667.db2.gz HDTZWYYVDYHJAM-RRFJBIMHSA-N 1 0 379.461 -2.063 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)CCN2C1=O ZINC000595980192 1074548594 /nfs/dbraw/zinc/54/85/94/1074548594.db2.gz HDTZWYYVDYHJAM-SOUVJXGZSA-N 1 0 379.461 -2.063 20 0 GAADRO CCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CCO2)[nH]1 ZINC000595980203 1074548697 /nfs/dbraw/zinc/54/86/97/1074548697.db2.gz HKQVOJNDGUAGNT-SRVKXCTJSA-N 1 0 391.432 -1.963 20 0 GAADRO CCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CCO2)[nH]1 ZINC000595980204 1074548826 /nfs/dbraw/zinc/54/88/26/1074548826.db2.gz HKQVOJNDGUAGNT-TUAOUCFPSA-N 1 0 391.432 -1.963 20 0 GAADRO CCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CCO2)[nH]1 ZINC000595980205 1074548766 /nfs/dbraw/zinc/54/87/66/1074548766.db2.gz HKQVOJNDGUAGNT-UTUOFQBUSA-N 1 0 391.432 -1.963 20 0 GAADRO CCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CCO2)[nH]1 ZINC000595980206 1074548612 /nfs/dbraw/zinc/54/86/12/1074548612.db2.gz HKQVOJNDGUAGNT-WOPDTQHZSA-N 1 0 391.432 -1.963 20 0 GAADRO Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)n1 ZINC000595980235 1074548658 /nfs/dbraw/zinc/54/86/58/1074548658.db2.gz IAOCLMXSZUQDPZ-KBPBESRZSA-N 1 0 387.444 -1.796 20 0 GAADRO Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)n1 ZINC000595980236 1074548577 /nfs/dbraw/zinc/54/85/77/1074548577.db2.gz IAOCLMXSZUQDPZ-KGLIPLIRSA-N 1 0 387.444 -1.796 20 0 GAADRO Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)n1 ZINC000595980237 1074548646 /nfs/dbraw/zinc/54/86/46/1074548646.db2.gz IAOCLMXSZUQDPZ-UONOGXRCSA-N 1 0 387.444 -1.796 20 0 GAADRO Cc1nccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)n1 ZINC000595980238 1074548634 /nfs/dbraw/zinc/54/86/34/1074548634.db2.gz IAOCLMXSZUQDPZ-ZIAGYGMSSA-N 1 0 387.444 -1.796 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)CCN2C1=O ZINC000595980244 1074548682 /nfs/dbraw/zinc/54/86/82/1074548682.db2.gz ICGMMEJISPEZTN-FRRDWIJNSA-N 1 0 378.433 -2.181 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)CCN2C1=O ZINC000595980245 1074548880 /nfs/dbraw/zinc/54/88/80/1074548880.db2.gz ICGMMEJISPEZTN-JHJVBQTASA-N 1 0 378.433 -2.181 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)CCN2C1=O ZINC000595980246 1074548561 /nfs/dbraw/zinc/54/85/61/1074548561.db2.gz ICGMMEJISPEZTN-RWMBFGLXSA-N 1 0 378.433 -2.181 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)CCN2C1=O ZINC000595980247 1074548812 /nfs/dbraw/zinc/54/88/12/1074548812.db2.gz ICGMMEJISPEZTN-YNEHKIRRSA-N 1 0 378.433 -2.181 20 0 GAADRO C[C@H](N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1)C(F)(F)F ZINC000595980261 1074548086 /nfs/dbraw/zinc/54/80/86/1074548086.db2.gz IKYLGTPEQDOEEI-QJPTWQEYSA-N 1 0 391.394 -1.148 20 0 GAADRO C[C@H](N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1)C(F)(F)F ZINC000595980262 1074548184 /nfs/dbraw/zinc/54/81/84/1074548184.db2.gz IKYLGTPEQDOEEI-SDDRHHMPSA-N 1 0 391.394 -1.148 20 0 GAADRO C[C@H](N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1)C(F)(F)F ZINC000595980263 1074548275 /nfs/dbraw/zinc/54/82/75/1074548275.db2.gz IKYLGTPEQDOEEI-SRVKXCTJSA-N 1 0 391.394 -1.148 20 0 GAADRO 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/nfs/dbraw/zinc/56/05/73/1074560573.db2.gz MYDPOIOKFVIMGM-FRRDWIJNSA-N 1 0 380.449 -2.029 20 0 GAADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595999201 1074560671 /nfs/dbraw/zinc/56/06/71/1074560671.db2.gz MYDPOIOKFVIMGM-JHJVBQTASA-N 1 0 380.449 -2.029 20 0 GAADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595999202 1074560507 /nfs/dbraw/zinc/56/05/07/1074560507.db2.gz MYDPOIOKFVIMGM-UPJWGTAASA-N 1 0 380.449 -2.029 20 0 GAADRO CC(C)(C[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1)C(N)=O ZINC000596001974 1074561067 /nfs/dbraw/zinc/56/10/67/1074561067.db2.gz PZKNNMKPCJSTER-BFHYXJOUSA-N 1 0 393.488 -1.103 20 0 GAADRO CC(C)(C[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1)C(N)=O ZINC000596001976 1074561101 /nfs/dbraw/zinc/56/11/01/1074561101.db2.gz PZKNNMKPCJSTER-IHRRRGAJSA-N 1 0 393.488 -1.103 20 0 GAADRO CC(C)(C[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1)C(N)=O ZINC000596001980 1074561055 /nfs/dbraw/zinc/56/10/55/1074561055.db2.gz PZKNNMKPCJSTER-MELADBBJSA-N 1 0 393.488 -1.103 20 0 GAADRO CC(C)(C[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1)C(N)=O ZINC000596001983 1074561016 /nfs/dbraw/zinc/56/10/16/1074561016.db2.gz PZKNNMKPCJSTER-MJBXVCDLSA-N 1 0 393.488 -1.103 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@](CO)(c4ccccc4)C3)CCN2C1=O ZINC000596006672 1074561262 /nfs/dbraw/zinc/56/12/62/1074561262.db2.gz YQRVVAAKRZPFFC-JXXFODFXSA-N 1 0 386.452 -1.081 20 0 GAADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@](CO)(c4ccccc4)C3)CCN2C1=O ZINC000596006675 1074560991 /nfs/dbraw/zinc/56/09/91/1074560991.db2.gz YQRVVAAKRZPFFC-QINHECLXSA-N 1 0 386.452 -1.081 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@](CO)(c4ccccc4)C3)CCN2C1=O ZINC000596006676 1074561178 /nfs/dbraw/zinc/56/11/78/1074561178.db2.gz YQRVVAAKRZPFFC-RZQQEMMASA-N 1 0 386.452 -1.081 20 0 GAADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@](CO)(c4ccccc4)C3)CCN2C1=O ZINC000596006678 1074561028 /nfs/dbraw/zinc/56/10/28/1074561028.db2.gz YQRVVAAKRZPFFC-YRNRMSPPSA-N 1 0 386.452 -1.081 20 0 GAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)C1 ZINC000596542459 1074562042 /nfs/dbraw/zinc/56/20/42/1074562042.db2.gz IRGXGIVWQQROEF-KRWDZBQOSA-N 1 0 381.433 -0.654 20 0 GAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)C1 ZINC000596542460 1074562103 /nfs/dbraw/zinc/56/21/03/1074562103.db2.gz IRGXGIVWQQROEF-QGZVFWFLSA-N 1 0 381.433 -0.654 20 0 GAADRO CC(C)(C)OC(=O)Cn1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000596552113 1074561622 /nfs/dbraw/zinc/56/16/22/1074561622.db2.gz QGSQCXRWIDOHKN-QWHCGFSZSA-N 1 0 393.444 -0.559 20 0 GAADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCNS(=O)(=O)N(C)C)C2)CC1 ZINC000596614421 530087685 /nfs/dbraw/zinc/08/76/85/530087685.db2.gz QVLHONVPLIBNBQ-AWEZNQCLSA-N 1 0 376.527 -1.196 20 0 GAADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCNS(=O)(=O)N(C)C)C2)CC1 ZINC000596614423 530087944 /nfs/dbraw/zinc/08/79/44/530087944.db2.gz QVLHONVPLIBNBQ-CQSZACIVSA-N 1 0 376.527 -1.196 20 0 GAADRO NS(=O)(=O)c1cc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1F ZINC000597439275 1074564483 /nfs/dbraw/zinc/56/44/83/1074564483.db2.gz UWWSLPGFWCIVRK-CMPLNLGQSA-N 1 0 385.421 -1.074 20 0 GAADRO NS(=O)(=O)c1cc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1F ZINC000597439289 1074564402 /nfs/dbraw/zinc/56/44/02/1074564402.db2.gz UWWSLPGFWCIVRK-JQWIXIFHSA-N 1 0 385.421 -1.074 20 0 GAADRO NS(=O)(=O)c1cc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000597439291 1074564498 /nfs/dbraw/zinc/56/44/98/1074564498.db2.gz UWWSLPGFWCIVRK-PWSUYJOCSA-N 1 0 385.421 -1.074 20 0 GAADRO NS(=O)(=O)c1cc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000597439292 1074564512 /nfs/dbraw/zinc/56/45/12/1074564512.db2.gz UWWSLPGFWCIVRK-ZYHUDNBSSA-N 1 0 385.421 -1.074 20 0 GAADRO CCS(=O)(=O)N[C@H](C)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000597612849 530088273 /nfs/dbraw/zinc/08/82/73/530088273.db2.gz HBCSJRJZJOVZDE-CYBMUJFWSA-N 1 0 378.495 -1.437 20 0 GAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000597612850 530088323 /nfs/dbraw/zinc/08/83/23/530088323.db2.gz HBCSJRJZJOVZDE-ZDUSSCGKSA-N 1 0 378.495 -1.437 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000597612904 1074565433 /nfs/dbraw/zinc/56/54/33/1074565433.db2.gz ISPNYROLJUIOSR-CYBMUJFWSA-N 1 0 379.465 -1.540 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCN=C2C1=NNN2C ZINC000597612905 1074565383 /nfs/dbraw/zinc/56/53/83/1074565383.db2.gz ISPNYROLJUIOSR-ZDUSSCGKSA-N 1 0 379.465 -1.540 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)N(C)C ZINC000597613039 530088293 /nfs/dbraw/zinc/08/82/93/530088293.db2.gz MVEJRZPUVPPIQP-UHFFFAOYSA-N 1 0 379.483 -2.369 20 0 GAADRO CCC[C@H](C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC)S(N)(=O)=O ZINC000597613643 530088247 /nfs/dbraw/zinc/08/82/47/530088247.db2.gz WBRIEFFGSWLKTG-CYBMUJFWSA-N 1 0 378.495 -1.307 20 0 GAADRO CCC[C@@H](C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC)S(N)(=O)=O ZINC000597613644 530088381 /nfs/dbraw/zinc/08/83/81/530088381.db2.gz WBRIEFFGSWLKTG-ZDUSSCGKSA-N 1 0 378.495 -1.307 20 0 GAADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000597631016 1074565670 /nfs/dbraw/zinc/56/56/70/1074565670.db2.gz INPQOAITQYCZGP-AWEZNQCLSA-N 1 0 381.433 -1.035 20 0 GAADRO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000597631017 1074565846 /nfs/dbraw/zinc/56/58/46/1074565846.db2.gz INPQOAITQYCZGP-CQSZACIVSA-N 1 0 381.433 -1.035 20 0 GAADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000597639222 1074566638 /nfs/dbraw/zinc/56/66/38/1074566638.db2.gz HWBDFOPOOGXEOA-HNNXBMFYSA-N 1 0 384.477 -1.079 20 0 GAADRO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000597639230 1074566573 /nfs/dbraw/zinc/56/65/73/1074566573.db2.gz HWBDFOPOOGXEOA-OAHLLOKOSA-N 1 0 384.477 -1.079 20 0 GAADRO CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598622838 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ZINC000612550982 1073739785 /nfs/dbraw/zinc/73/97/85/1073739785.db2.gz KMNDFNBQWKUCJY-ZDUSSCGKSA-N 1 0 378.437 -2.056 20 0 GAADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000612551430 1073739226 /nfs/dbraw/zinc/73/92/26/1073739226.db2.gz GTTPMVIXUSIYNW-INIZCTEOSA-N 1 0 395.504 -1.410 20 0 GAADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000612551431 1073739305 /nfs/dbraw/zinc/73/93/05/1073739305.db2.gz GTTPMVIXUSIYNW-MRXNPFEDSA-N 1 0 395.504 -1.410 20 0 GAADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000612551570 1073739730 /nfs/dbraw/zinc/73/97/30/1073739730.db2.gz PPIQMPCOTSLBOM-AWEZNQCLSA-N 1 0 379.461 -1.464 20 0 GAADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000612551571 1073739941 /nfs/dbraw/zinc/73/99/41/1073739941.db2.gz PPIQMPCOTSLBOM-CQSZACIVSA-N 1 0 379.461 -1.464 20 0 GAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612600537 1073741096 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JODSFAFPGIYSSW-KLHDSHLOSA-N 1 0 390.502 -1.243 20 0 GAADRO CC[NH+](CC)CCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000613011806 1073753487 /nfs/dbraw/zinc/75/34/87/1073753487.db2.gz JODSFAFPGIYSSW-ZJIFWQFVSA-N 1 0 390.502 -1.243 20 0 GAADRO CC[NH+](CC)CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000613011809 530113906 /nfs/dbraw/zinc/11/39/06/530113906.db2.gz JSBLCJOQEWDXMO-CYBMUJFWSA-N 1 0 398.551 -1.260 20 0 GAADRO CC[NH+](CC)CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000613011810 530113924 /nfs/dbraw/zinc/11/39/24/530113924.db2.gz JSBLCJOQEWDXMO-ZDUSSCGKSA-N 1 0 398.551 -1.260 20 0 GAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000613217489 1074437203 /nfs/dbraw/zinc/43/72/03/1074437203.db2.gz OBIKOGXWGOTISB-AWEZNQCLSA-N 1 0 390.506 -1.412 20 0 GAADRO NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000613217490 1074437284 /nfs/dbraw/zinc/43/72/84/1074437284.db2.gz OBIKOGXWGOTISB-CQSZACIVSA-N 1 0 390.506 -1.412 20 0 GAADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 ZINC000613536928 1073783039 /nfs/dbraw/zinc/78/30/39/1073783039.db2.gz BMHFZDHRTNJZLS-BZUAXINKSA-N 1 0 399.469 -1.122 20 0 GAADRO C[C@H]1[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)[C@H]1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000613698375 1073869513 /nfs/dbraw/zinc/86/95/13/1073869513.db2.gz XPLJVEPGGOZZMX-PNKHAZJDSA-N 1 0 396.532 -1.082 20 0 GAADRO Cn1c2ncn(CC(=O)NCCCC[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000613920874 1073938363 /nfs/dbraw/zinc/93/83/63/1073938363.db2.gz KBHVNWLCMQETHR-UHFFFAOYSA-N 1 0 378.433 -1.338 20 0 GAADRO CN(CCCNC(=O)CSc1nnnn1CC[NH+](C)C)S(C)(=O)=O ZINC000614068314 530146240 /nfs/dbraw/zinc/14/62/40/530146240.db2.gz PCMMNVKBYMFIBX-UHFFFAOYSA-N 1 0 379.512 -1.276 20 0 GAADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000614068834 1073963133 /nfs/dbraw/zinc/96/31/33/1073963133.db2.gz PXVDJIWKKBGWSZ-HNNXBMFYSA-N 1 0 387.462 -1.693 20 0 GAADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000614068835 1073963215 /nfs/dbraw/zinc/96/32/15/1073963215.db2.gz PXVDJIWKKBGWSZ-OAHLLOKOSA-N 1 0 387.462 -1.693 20 0 GAADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000614069988 1073963150 /nfs/dbraw/zinc/96/31/50/1073963150.db2.gz HBLLZDDNIVFABT-CKEIUWERSA-N 1 0 387.502 -1.063 20 0 GAADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000614069989 1073963172 /nfs/dbraw/zinc/96/31/72/1073963172.db2.gz HBLLZDDNIVFABT-GRDNDAEWSA-N 1 0 387.502 -1.063 20 0 GAADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000614069990 1073963123 /nfs/dbraw/zinc/96/31/23/1073963123.db2.gz HBLLZDDNIVFABT-JJRVBVJISA-N 1 0 387.502 -1.063 20 0 GAADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000614069991 1073963196 /nfs/dbraw/zinc/96/31/96/1073963196.db2.gz HBLLZDDNIVFABT-JKIFEVAISA-N 1 0 387.502 -1.063 20 0 GAADRO 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CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000618303377 1074689930 /nfs/dbraw/zinc/68/99/30/1074689930.db2.gz DPDHKMUCBITITF-UHFFFAOYSA-N 1 0 390.444 -1.276 20 0 GAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000618304184 1074689915 /nfs/dbraw/zinc/68/99/15/1074689915.db2.gz UCPIGZSCWXUECD-UHFFFAOYSA-N 1 0 390.444 -1.276 20 0 GAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000618304928 1074689871 /nfs/dbraw/zinc/68/98/71/1074689871.db2.gz DKAMOCAGGOWYFV-UHFFFAOYSA-N 1 0 392.460 -1.332 20 0 GAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000618305191 1073654343 /nfs/dbraw/zinc/65/43/43/1073654343.db2.gz NDEBMHZVVSCUBA-INIZCTEOSA-N 1 0 397.520 -1.355 20 0 GAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000618305196 1074689899 /nfs/dbraw/zinc/68/98/99/1074689899.db2.gz NDEBMHZVVSCUBA-MRXNPFEDSA-N 1 0 397.520 -1.355 20 0 GAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000618305308 1074689808 /nfs/dbraw/zinc/68/98/08/1074689808.db2.gz OJLAKMJYYGLWJM-UHFFFAOYSA-N 1 0 393.448 -1.227 20 0 GAADRO Cc1nc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cn1C ZINC000618305383 1074689820 /nfs/dbraw/zinc/68/98/20/1074689820.db2.gz RUBSDWPPCLLNCF-UHFFFAOYSA-N 1 0 388.494 -1.515 20 0 GAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000618306757 530080296 /nfs/dbraw/zinc/08/02/96/530080296.db2.gz HTUXYNOUBJIVAA-UHFFFAOYSA-N 1 0 377.511 -1.958 20 0 GAADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618307171 1074689830 /nfs/dbraw/zinc/68/98/30/1074689830.db2.gz YXRBWYLRIZJDJF-GFCCVEGCSA-N 1 0 388.494 -1.435 20 0 GAADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618307172 1074689991 /nfs/dbraw/zinc/68/99/91/1074689991.db2.gz YXRBWYLRIZJDJF-LBPRGKRZSA-N 1 0 388.494 -1.435 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000618561173 1073946368 /nfs/dbraw/zinc/94/63/68/1073946368.db2.gz QLTJHFZNILULFQ-HNNXBMFYSA-N 1 0 388.538 -1.100 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000618561174 1073946293 /nfs/dbraw/zinc/94/62/93/1073946293.db2.gz QLTJHFZNILULFQ-OAHLLOKOSA-N 1 0 388.538 -1.100 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000619618021 1074693847 /nfs/dbraw/zinc/69/38/47/1074693847.db2.gz ZADIHNKFCIGVRG-UHFFFAOYSA-N 1 0 392.522 -1.047 20 0 GAADRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(C(=O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000619741162 1074694173 /nfs/dbraw/zinc/69/41/73/1074694173.db2.gz JVRKJPJQQCPJKN-FGTMMUONSA-N 1 0 384.521 -1.067 20 0 GAADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(C(=O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000619741168 1074694385 /nfs/dbraw/zinc/69/43/85/1074694385.db2.gz JVRKJPJQQCPJKN-KSZLIROESA-N 1 0 384.521 -1.067 20 0 GAADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(C(=O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000619741169 1074694377 /nfs/dbraw/zinc/69/43/77/1074694377.db2.gz JVRKJPJQQCPJKN-KURKYZTESA-N 1 0 384.521 -1.067 20 0 GAADRO C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C(=O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000619741170 1074694243 /nfs/dbraw/zinc/69/42/43/1074694243.db2.gz JVRKJPJQQCPJKN-KZNAEPCWSA-N 1 0 384.521 -1.067 20 0 GAADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000619873634 1074695304 /nfs/dbraw/zinc/69/53/04/1074695304.db2.gz GLCAXHDDFJERHL-KBPBESRZSA-N 1 0 398.460 -1.697 20 0 GAADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000619873635 1074695323 /nfs/dbraw/zinc/69/53/23/1074695323.db2.gz GLCAXHDDFJERHL-KGLIPLIRSA-N 1 0 398.460 -1.697 20 0 GAADRO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000619873636 1074695340 /nfs/dbraw/zinc/69/53/40/1074695340.db2.gz GLCAXHDDFJERHL-UONOGXRCSA-N 1 0 398.460 -1.697 20 0 GAADRO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000619873637 1074695380 /nfs/dbraw/zinc/69/53/80/1074695380.db2.gz GLCAXHDDFJERHL-ZIAGYGMSSA-N 1 0 398.460 -1.697 20 0 GAADRO COCC[NH+]1CCC(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000620313556 1074698684 /nfs/dbraw/zinc/69/86/84/1074698684.db2.gz JDOBIULVEWNYRI-UHFFFAOYSA-N 1 0 378.433 -1.339 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC([N@@H+]3CC[C@@H](O)C3)CC1)c(=O)n2C ZINC000620488233 1074700964 /nfs/dbraw/zinc/70/09/64/1074700964.db2.gz HJNJSFARWNVDBC-CYBMUJFWSA-N 1 0 390.444 -1.509 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC([N@@H+]3CC[C@H](O)C3)CC1)c(=O)n2C ZINC000620488234 1074701025 /nfs/dbraw/zinc/70/10/25/1074701025.db2.gz HJNJSFARWNVDBC-ZDUSSCGKSA-N 1 0 390.444 -1.509 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1CO ZINC000621647333 1074712219 /nfs/dbraw/zinc/71/22/19/1074712219.db2.gz HTYMWJKQZZCMNH-KBPBESRZSA-N 1 0 394.476 -1.024 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1CO ZINC000621647334 1074712322 /nfs/dbraw/zinc/71/23/22/1074712322.db2.gz HTYMWJKQZZCMNH-KGLIPLIRSA-N 1 0 394.476 -1.024 20 0 GAADRO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1CO ZINC000621647335 1074712347 /nfs/dbraw/zinc/71/23/47/1074712347.db2.gz HTYMWJKQZZCMNH-UONOGXRCSA-N 1 0 394.476 -1.024 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1CO ZINC000621647336 1074712230 /nfs/dbraw/zinc/71/22/30/1074712230.db2.gz HTYMWJKQZZCMNH-ZIAGYGMSSA-N 1 0 394.476 -1.024 20 0 GAADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000621831682 1074713011 /nfs/dbraw/zinc/71/30/11/1074713011.db2.gz RDJRZTGFJHLJOS-NSHDSACASA-N 1 0 397.457 -1.401 20 0 GAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621837713 1074713268 /nfs/dbraw/zinc/71/32/68/1074713268.db2.gz OQDIHOPDTWHJRW-BBRMVZONSA-N 1 0 387.506 -1.980 20 0 GAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621837714 1074713308 /nfs/dbraw/zinc/71/33/08/1074713308.db2.gz OQDIHOPDTWHJRW-CJNGLKHVSA-N 1 0 387.506 -1.980 20 0 GAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621837715 1074713366 /nfs/dbraw/zinc/71/33/66/1074713366.db2.gz OQDIHOPDTWHJRW-CZUORRHYSA-N 1 0 387.506 -1.980 20 0 GAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621837716 1074713408 /nfs/dbraw/zinc/71/34/08/1074713408.db2.gz OQDIHOPDTWHJRW-XJKSGUPXSA-N 1 0 387.506 -1.980 20 0 GAADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)C2 ZINC000621839941 1074713333 /nfs/dbraw/zinc/71/33/33/1074713333.db2.gz ARZURRHPRLDBQE-ABAIWWIYSA-N 1 0 385.446 -1.450 20 0 GAADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)C2 ZINC000621839942 1074713340 /nfs/dbraw/zinc/71/33/40/1074713340.db2.gz ARZURRHPRLDBQE-IAQYHMDHSA-N 1 0 385.446 -1.450 20 0 GAADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)C2 ZINC000621839943 1074713603 /nfs/dbraw/zinc/71/36/03/1074713603.db2.gz ARZURRHPRLDBQE-NHYWBVRUSA-N 1 0 385.446 -1.450 20 0 GAADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)C2 ZINC000621839944 1074713811 /nfs/dbraw/zinc/71/38/11/1074713811.db2.gz ARZURRHPRLDBQE-XHDPSFHLSA-N 1 0 385.446 -1.450 20 0 GAADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C2 ZINC000621845946 530172764 /nfs/dbraw/zinc/17/27/64/530172764.db2.gz RUBLZZSQIAIIPC-DOMZBBRYSA-N 1 0 390.531 -1.179 20 0 GAADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C2 ZINC000621845947 530172554 /nfs/dbraw/zinc/17/25/54/530172554.db2.gz RUBLZZSQIAIIPC-IUODEOHRSA-N 1 0 390.531 -1.179 20 0 GAADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C2 ZINC000621845948 530172734 /nfs/dbraw/zinc/17/27/34/530172734.db2.gz RUBLZZSQIAIIPC-SWLSCSKDSA-N 1 0 390.531 -1.179 20 0 GAADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C2 ZINC000621845949 530172440 /nfs/dbraw/zinc/17/24/40/530172440.db2.gz RUBLZZSQIAIIPC-WFASDCNBSA-N 1 0 390.531 -1.179 20 0 GAADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621847436 1074713660 /nfs/dbraw/zinc/71/36/60/1074713660.db2.gz BRHJNPMUVDCQND-UHFFFAOYSA-N 1 0 395.435 -1.075 20 0 GAADRO NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000621847943 1074713641 /nfs/dbraw/zinc/71/36/41/1074713641.db2.gz NMGAKPLOKVUYOC-CYBMUJFWSA-N 1 0 393.419 -1.322 20 0 GAADRO NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000621847944 1074713693 /nfs/dbraw/zinc/71/36/93/1074713693.db2.gz NMGAKPLOKVUYOC-ZDUSSCGKSA-N 1 0 393.419 -1.322 20 0 GAADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)CN3CCOCC3)CC1)C2 ZINC000622025082 1074714076 /nfs/dbraw/zinc/71/40/76/1074714076.db2.gz KFGLQHUDQRNGGT-BEFAXECRSA-N 1 0 393.488 -1.671 20 0 GAADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)CN3CCOCC3)CC1)C2 ZINC000622025083 1074714195 /nfs/dbraw/zinc/71/41/95/1074714195.db2.gz KFGLQHUDQRNGGT-DNVCBOLYSA-N 1 0 393.488 -1.671 20 0 GAADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)CN3CCOCC3)CC1)C2 ZINC000622025084 1074714130 /nfs/dbraw/zinc/71/41/30/1074714130.db2.gz KFGLQHUDQRNGGT-HNAYVOBHSA-N 1 0 393.488 -1.671 20 0 GAADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)CN3CCOCC3)CC1)C2 ZINC000622025085 1074714161 /nfs/dbraw/zinc/71/41/61/1074714161.db2.gz KFGLQHUDQRNGGT-KXBFYZLASA-N 1 0 393.488 -1.671 20 0 GAADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(CC(=O)N3CCOCC3)CC1)C2 ZINC000622025914 1074714170 /nfs/dbraw/zinc/71/41/70/1074714170.db2.gz YXMUZIQDOBJUGJ-BEFAXECRSA-N 1 0 393.488 -1.671 20 0 GAADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(CC(=O)N3CCOCC3)CC1)C2 ZINC000622025915 1074714204 /nfs/dbraw/zinc/71/42/04/1074714204.db2.gz YXMUZIQDOBJUGJ-DNVCBOLYSA-N 1 0 393.488 -1.671 20 0 GAADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(CC(=O)N3CCOCC3)CC1)C2 ZINC000622025916 1074714003 /nfs/dbraw/zinc/71/40/03/1074714003.db2.gz YXMUZIQDOBJUGJ-HNAYVOBHSA-N 1 0 393.488 -1.671 20 0 GAADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(CC(=O)N3CCOCC3)CC1)C2 ZINC000622025917 1074714051 /nfs/dbraw/zinc/71/40/51/1074714051.db2.gz YXMUZIQDOBJUGJ-KXBFYZLASA-N 1 0 393.488 -1.671 20 0 GAADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC3CC3)CC1)C2 ZINC000622026666 1074714557 /nfs/dbraw/zinc/71/45/57/1074714557.db2.gz ONHFWNOLBBYXFS-KPZWWZAWSA-N 1 0 377.445 -1.724 20 0 GAADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC3CC3)CC1)C2 ZINC000622026667 1074714412 /nfs/dbraw/zinc/71/44/12/1074714412.db2.gz ONHFWNOLBBYXFS-KZULUSFZSA-N 1 0 377.445 -1.724 20 0 GAADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC3CC3)CC1)C2 ZINC000622026668 1074714536 /nfs/dbraw/zinc/71/45/36/1074714536.db2.gz ONHFWNOLBBYXFS-SGTLLEGYSA-N 1 0 377.445 -1.724 20 0 GAADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC3CC3)CC1)C2 ZINC000622026669 1074714528 /nfs/dbraw/zinc/71/45/28/1074714528.db2.gz ONHFWNOLBBYXFS-XIKOKIGWSA-N 1 0 377.445 -1.724 20 0 GAADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)Cn3cnnn3)CC1)C2 ZINC000622026914 1074714097 /nfs/dbraw/zinc/71/40/97/1074714097.db2.gz UVZDOPZWRRSHDR-BLLLJJGKSA-N 1 0 376.421 -2.316 20 0 GAADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)Cn3cnnn3)CC1)C2 ZINC000622026915 1074714498 /nfs/dbraw/zinc/71/44/98/1074714498.db2.gz UVZDOPZWRRSHDR-LRDDRELGSA-N 1 0 376.421 -2.316 20 0 GAADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)Cn3cnnn3)CC1)C2 ZINC000622026916 1074714482 /nfs/dbraw/zinc/71/44/82/1074714482.db2.gz UVZDOPZWRRSHDR-MLGOLLRUSA-N 1 0 376.421 -2.316 20 0 GAADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)Cn3cnnn3)CC1)C2 ZINC000622026917 1074714462 /nfs/dbraw/zinc/71/44/62/1074714462.db2.gz UVZDOPZWRRSHDR-WBMJQRKESA-N 1 0 376.421 -2.316 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622031373 1074714430 /nfs/dbraw/zinc/71/44/30/1074714430.db2.gz LWBJIWXKKMTMJI-KBXCAEBGSA-N 1 0 381.477 -1.767 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622031374 1074714469 /nfs/dbraw/zinc/71/44/69/1074714469.db2.gz LWBJIWXKKMTMJI-KDOFPFPSSA-N 1 0 381.477 -1.767 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622031375 1074714422 /nfs/dbraw/zinc/71/44/22/1074714422.db2.gz LWBJIWXKKMTMJI-KSSFIOAISA-N 1 0 381.477 -1.767 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622031376 1074714565 /nfs/dbraw/zinc/71/45/65/1074714565.db2.gz LWBJIWXKKMTMJI-RDTXWAMCSA-N 1 0 381.477 -1.767 20 0 GAADRO NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000622032106 1074714476 /nfs/dbraw/zinc/71/44/76/1074714476.db2.gz ZELQBBUVKYCJDS-CYBMUJFWSA-N 1 0 393.419 -1.241 20 0 GAADRO NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000622032107 1074714384 /nfs/dbraw/zinc/71/43/84/1074714384.db2.gz ZELQBBUVKYCJDS-ZDUSSCGKSA-N 1 0 393.419 -1.241 20 0 GAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1=O ZINC000622055220 1074714798 /nfs/dbraw/zinc/71/47/98/1074714798.db2.gz BAOQNALYRFCVKM-AWEZNQCLSA-N 1 0 395.464 -1.526 20 0 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CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCN1C ZINC000629799449 1075790574 /nfs/dbraw/zinc/79/05/74/1075790574.db2.gz QMPRPLOITVGTTA-INIZCTEOSA-N 1 0 394.520 -1.046 20 0 GAADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCN1C ZINC000629799450 1075790470 /nfs/dbraw/zinc/79/04/70/1075790470.db2.gz QMPRPLOITVGTTA-MRXNPFEDSA-N 1 0 394.520 -1.046 20 0 GAADRO O=C(C(=O)N1CCOC[C@H]1C1CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629799529 1075790592 /nfs/dbraw/zinc/79/05/92/1075790592.db2.gz IPIDHQCBSUKVBF-HNNXBMFYSA-N 1 0 379.461 -1.207 20 0 GAADRO O=C(C(=O)N1CCOC[C@@H]1C1CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629799530 1075790544 /nfs/dbraw/zinc/79/05/44/1075790544.db2.gz IPIDHQCBSUKVBF-OAHLLOKOSA-N 1 0 379.461 -1.207 20 0 GAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000629799626 1075790422 /nfs/dbraw/zinc/79/04/22/1075790422.db2.gz RVNBFLDXPUNVEF-UHFFFAOYSA-N 1 0 391.476 -1.231 20 0 GAADRO COCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629799670 1075790661 /nfs/dbraw/zinc/79/06/61/1075790661.db2.gz TWUVFJDYRFKRQU-UHFFFAOYSA-N 1 0 397.476 -1.844 20 0 GAADRO COC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCO1 ZINC000629799685 1075790687 /nfs/dbraw/zinc/79/06/87/1075790687.db2.gz ULQVBVHPLQGOEA-AWEZNQCLSA-N 1 0 383.449 -1.970 20 0 GAADRO COC[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCO1 ZINC000629799686 1075790607 /nfs/dbraw/zinc/79/06/07/1075790607.db2.gz ULQVBVHPLQGOEA-CQSZACIVSA-N 1 0 383.449 -1.970 20 0 GAADRO O=C(C(=O)N1CCO[C@H](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800092 1075790677 /nfs/dbraw/zinc/79/06/77/1075790677.db2.gz NQGHQYXKZQVBHG-HNNXBMFYSA-N 1 0 379.461 -1.207 20 0 GAADRO O=C(C(=O)N1CCO[C@@H](C2CC2)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800093 1075790683 /nfs/dbraw/zinc/79/06/83/1075790683.db2.gz NQGHQYXKZQVBHG-OAHLLOKOSA-N 1 0 379.461 -1.207 20 0 GAADRO O=C(C(=O)N1CCc2c[nH]nc2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800223 1075790619 /nfs/dbraw/zinc/79/06/19/1075790619.db2.gz YAKYBLUFDBGWKD-UHFFFAOYSA-N 1 0 375.433 -1.536 20 0 GAADRO Cc1cn2c(n1)CN(C(=O)C(=O)N1CCN(C(=O)N3CC[NH2+]CC3)CC1)CC2 ZINC000629800922 1075791384 /nfs/dbraw/zinc/79/13/84/1075791384.db2.gz DUKWEFGFFNLOIC-UHFFFAOYSA-N 1 0 389.460 -1.297 20 0 GAADRO CN(CCCn1ccnc1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800964 1075791168 /nfs/dbraw/zinc/79/11/68/1075791168.db2.gz FOVBWNCSUDXDQL-UHFFFAOYSA-N 1 0 391.476 -1.099 20 0 GAADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800979 1075791200 /nfs/dbraw/zinc/79/12/00/1075791200.db2.gz FVYMBYWFQYPQGG-LLVKDONJSA-N 1 0 395.382 -1.463 20 0 GAADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800980 1075791137 /nfs/dbraw/zinc/79/11/37/1075791137.db2.gz FVYMBYWFQYPQGG-NSHDSACASA-N 1 0 395.382 -1.463 20 0 GAADRO CCN(Cc1cn(C)nn1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629801012 1075791458 /nfs/dbraw/zinc/79/14/58/1075791458.db2.gz GUBIOIQFTDVOOQ-UHFFFAOYSA-N 1 0 392.464 -1.667 20 0 GAADRO CC(C)(O)CN(C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC1 ZINC000629801034 1075791393 /nfs/dbraw/zinc/79/13/93/1075791393.db2.gz ABZRSSZKEOUMRS-UHFFFAOYSA-N 1 0 381.477 -1.082 20 0 GAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000629801086 1075791550 /nfs/dbraw/zinc/79/15/50/1075791550.db2.gz BBHDBLIOYWGHIM-INIZCTEOSA-N 1 0 397.520 -1.164 20 0 GAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000629801087 1075791391 /nfs/dbraw/zinc/79/13/91/1075791391.db2.gz BBHDBLIOYWGHIM-MRXNPFEDSA-N 1 0 397.520 -1.164 20 0 GAADRO COC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000629801147 1075791131 /nfs/dbraw/zinc/79/11/31/1075791131.db2.gz HSJLMJLSEHVMEV-CABCVRRESA-N 1 0 397.476 -1.582 20 0 GAADRO COC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000629801148 1075791186 /nfs/dbraw/zinc/79/11/86/1075791186.db2.gz HSJLMJLSEHVMEV-GJZGRUSLSA-N 1 0 397.476 -1.582 20 0 GAADRO COC[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000629801149 1075791114 /nfs/dbraw/zinc/79/11/14/1075791114.db2.gz HSJLMJLSEHVMEV-HUUCEWRRSA-N 1 0 397.476 -1.582 20 0 GAADRO COC[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000629801150 1075791157 /nfs/dbraw/zinc/79/11/57/1075791157.db2.gz HSJLMJLSEHVMEV-LSDHHAIUSA-N 1 0 397.476 -1.582 20 0 GAADRO O=C(C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000629801185 1075791125 /nfs/dbraw/zinc/79/11/25/1075791125.db2.gz ILTMZFCUPHDJCF-GOSISDBHSA-N 1 0 379.461 -1.205 20 0 GAADRO O=C(C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)N1CC[C@]2(CCOC2)C1 ZINC000629801186 1075791145 /nfs/dbraw/zinc/79/11/45/1075791145.db2.gz ILTMZFCUPHDJCF-SFHVURJKSA-N 1 0 379.461 -1.205 20 0 GAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000629801281 530127847 /nfs/dbraw/zinc/12/78/47/530127847.db2.gz DLAHOXFBLONTFO-CYBMUJFWSA-N 1 0 376.479 -1.553 20 0 GAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000629801283 530127893 /nfs/dbraw/zinc/12/78/93/530127893.db2.gz DLAHOXFBLONTFO-ZDUSSCGKSA-N 1 0 376.479 -1.553 20 0 GAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000629801303 1075790941 /nfs/dbraw/zinc/79/09/41/1075790941.db2.gz DVSDYPYAGLHNRZ-AWEZNQCLSA-N 1 0 390.506 -1.293 20 0 GAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000629801304 1075790893 /nfs/dbraw/zinc/79/08/93/1075790893.db2.gz DVSDYPYAGLHNRZ-CQSZACIVSA-N 1 0 390.506 -1.293 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CCN1c1nccn2cnnc12 ZINC000629801311 1075790955 /nfs/dbraw/zinc/79/09/55/1075790955.db2.gz FBAGKOHSXDSUCS-CYBMUJFWSA-N 1 0 390.448 -1.405 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CCN1c1nccn2cnnc12 ZINC000629801312 1075790913 /nfs/dbraw/zinc/79/09/13/1075790913.db2.gz FBAGKOHSXDSUCS-ZDUSSCGKSA-N 1 0 390.448 -1.405 20 0 GAADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629801333 1075790899 /nfs/dbraw/zinc/79/08/99/1075790899.db2.gz FRALGDKRDINQTM-HNNXBMFYSA-N 1 0 383.493 -1.425 20 0 GAADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629801334 1075790937 /nfs/dbraw/zinc/79/09/37/1075790937.db2.gz FRALGDKRDINQTM-OAHLLOKOSA-N 1 0 383.493 -1.425 20 0 GAADRO NC(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000629801356 1075791105 /nfs/dbraw/zinc/79/11/05/1075791105.db2.gz JPVUKGXQWYHHFU-AWEZNQCLSA-N 1 0 394.476 -1.730 20 0 GAADRO NC(=O)C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000629801357 1075791080 /nfs/dbraw/zinc/79/10/80/1075791080.db2.gz JPVUKGXQWYHHFU-CQSZACIVSA-N 1 0 394.476 -1.730 20 0 GAADRO O=C(C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)N1CC[C@H](OC(F)F)C1 ZINC000629801587 1075790926 /nfs/dbraw/zinc/79/09/26/1075790926.db2.gz AXWTWHFJAHXFQA-LBPRGKRZSA-N 1 0 389.403 -1.004 20 0 GAADRO COCCN(C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1CCOC1 ZINC000629801620 1075790946 /nfs/dbraw/zinc/79/09/46/1075790946.db2.gz NGYBYFPVSCRPHO-HNNXBMFYSA-N 1 0 397.476 -1.580 20 0 GAADRO COCCN(C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H]1CCOC1 ZINC000629801623 1075790919 /nfs/dbraw/zinc/79/09/19/1075790919.db2.gz NGYBYFPVSCRPHO-OAHLLOKOSA-N 1 0 397.476 -1.580 20 0 GAADRO CON1CCC(N(C)C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629801628 1075790978 /nfs/dbraw/zinc/79/09/78/1075790978.db2.gz BRGRWRRXKAWLQJ-UHFFFAOYSA-N 1 0 396.492 -1.360 20 0 GAADRO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629801643 1075790969 /nfs/dbraw/zinc/79/09/69/1075790969.db2.gz BTGQIDKWOJHPJL-CABCVRRESA-N 1 0 397.476 -1.846 20 0 GAADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629801645 1075790904 /nfs/dbraw/zinc/79/09/04/1075790904.db2.gz BTGQIDKWOJHPJL-GJZGRUSLSA-N 1 0 397.476 -1.846 20 0 GAADRO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629801647 1075790854 /nfs/dbraw/zinc/79/08/54/1075790854.db2.gz BTGQIDKWOJHPJL-HUUCEWRRSA-N 1 0 397.476 -1.846 20 0 GAADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629801648 1075790957 /nfs/dbraw/zinc/79/09/57/1075790957.db2.gz BTGQIDKWOJHPJL-LSDHHAIUSA-N 1 0 397.476 -1.846 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCO1 ZINC000629801772 1075791538 /nfs/dbraw/zinc/79/15/38/1075791538.db2.gz IRGZYDSLTMJYJB-AXFHLTTASA-N 1 0 380.367 -1.055 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCO1 ZINC000629801773 1075791423 /nfs/dbraw/zinc/79/14/23/1075791423.db2.gz IRGZYDSLTMJYJB-DCAQKATOSA-N 1 0 380.367 -1.055 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCO1 ZINC000629801774 1075791511 /nfs/dbraw/zinc/79/15/11/1075791511.db2.gz IRGZYDSLTMJYJB-MXWKQRLJSA-N 1 0 380.367 -1.055 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCO1 ZINC000629801775 1075791522 /nfs/dbraw/zinc/79/15/22/1075791522.db2.gz IRGZYDSLTMJYJB-VWYCJHECSA-N 1 0 380.367 -1.055 20 0 GAADRO 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COc1cc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)CC2)ncn1 ZINC000643549142 1075814971 /nfs/dbraw/zinc/81/49/71/1075814971.db2.gz CNQYSTOJKDNCCR-OLZOCXBDSA-N 1 0 378.433 -1.292 20 0 GAADRO COc1cc(N2CCN(C(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)CC2)ncn1 ZINC000643549143 1075815058 /nfs/dbraw/zinc/81/50/58/1075815058.db2.gz CNQYSTOJKDNCCR-QWHCGFSZSA-N 1 0 378.433 -1.292 20 0 GAADRO COc1cc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC2)ncn1 ZINC000643549145 1075814912 /nfs/dbraw/zinc/81/49/12/1075814912.db2.gz CNQYSTOJKDNCCR-STQMWFEESA-N 1 0 378.433 -1.292 20 0 GAADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](N4CCNCC4=O)C3)[C@@H]2C1 ZINC000643549998 1073403859 /nfs/dbraw/zinc/40/38/59/1073403859.db2.gz QKQXOWKTEDPNFP-BZUAXINKSA-N 1 0 377.489 -1.038 20 0 GAADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](N4CCNCC4=O)C3)[C@H]2C1 ZINC000643549999 1073403712 /nfs/dbraw/zinc/40/37/12/1073403712.db2.gz QKQXOWKTEDPNFP-OAGGEKHMSA-N 1 0 377.489 -1.038 20 0 GAADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](N4CCNCC4=O)C3)[C@@H]2C1 ZINC000643550000 1075815000 /nfs/dbraw/zinc/81/50/00/1075815000.db2.gz QKQXOWKTEDPNFP-OWCLPIDISA-N 1 0 377.489 -1.038 20 0 GAADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](N4CCNCC4=O)C3)[C@H]2C1 ZINC000643550001 1075815143 /nfs/dbraw/zinc/81/51/43/1075815143.db2.gz QKQXOWKTEDPNFP-PMPSAXMXSA-N 1 0 377.489 -1.038 20 0 GAADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CCNCC4)C3)C[C@@H]21 ZINC000643569751 1075815322 /nfs/dbraw/zinc/81/53/22/1075815322.db2.gz BKKFNKKVYJVKJH-OCCSQVGLSA-N 1 0 385.490 -2.405 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C[C@H]1[NH+](C)C ZINC000643569898 1075815404 /nfs/dbraw/zinc/81/54/04/1075815404.db2.gz PLMSVPFTNDLBOF-GXTWGEPZSA-N 1 0 387.506 -2.159 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C[C@@H]1[NH+](C)C ZINC000643569900 1073409171 /nfs/dbraw/zinc/40/91/71/1073409171.db2.gz PLMSVPFTNDLBOF-JSGCOSHPSA-N 1 0 387.506 -2.159 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C[C@@H]1[NH+](C)C ZINC000643569902 1073409234 /nfs/dbraw/zinc/40/92/34/1073409234.db2.gz PLMSVPFTNDLBOF-OCCSQVGLSA-N 1 0 387.506 -2.159 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C[C@H]1[NH+](C)C ZINC000643569904 1075815426 /nfs/dbraw/zinc/81/54/26/1075815426.db2.gz PLMSVPFTNDLBOF-TZMCWYRMSA-N 1 0 387.506 -2.159 20 0 GAADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 ZINC000643569954 1075815128 /nfs/dbraw/zinc/81/51/28/1075815128.db2.gz WIYMJQXHGBCIBR-CYBMUJFWSA-N 1 0 387.506 -2.015 20 0 GAADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 ZINC000643569956 1075814887 /nfs/dbraw/zinc/81/48/87/1075814887.db2.gz WIYMJQXHGBCIBR-ZDUSSCGKSA-N 1 0 387.506 -2.015 20 0 GAADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000643569958 1075815064 /nfs/dbraw/zinc/81/50/64/1075815064.db2.gz WRQIRDZPQGQMRO-CYBMUJFWSA-N 1 0 387.506 -2.158 20 0 GAADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000643569961 1075815026 /nfs/dbraw/zinc/81/50/26/1075815026.db2.gz WRQIRDZPQGQMRO-ZDUSSCGKSA-N 1 0 387.506 -2.158 20 0 GAADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC(S(=O)(=O)N4CCNCC4)C3)C2)C1 ZINC000643569971 1075815088 /nfs/dbraw/zinc/81/50/88/1075815088.db2.gz WXGRYQLBTYBXQG-KRWDZBQOSA-N 1 0 399.517 -2.014 20 0 GAADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC(S(=O)(=O)N4CCNCC4)C3)C2)C1 ZINC000643569972 1075814930 /nfs/dbraw/zinc/81/49/30/1075814930.db2.gz WXGRYQLBTYBXQG-QGZVFWFLSA-N 1 0 399.517 -2.014 20 0 GAADRO CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C2)n1 ZINC000643576925 1075815412 /nfs/dbraw/zinc/81/54/12/1075815412.db2.gz MDTVXDHSZCXPQC-CHWSQXEVSA-N 1 0 379.465 -1.057 20 0 GAADRO CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)n1 ZINC000643576926 1075815438 /nfs/dbraw/zinc/81/54/38/1075815438.db2.gz MDTVXDHSZCXPQC-OLZOCXBDSA-N 1 0 379.465 -1.057 20 0 GAADRO CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C2)n1 ZINC000643576927 1075815416 /nfs/dbraw/zinc/81/54/16/1075815416.db2.gz MDTVXDHSZCXPQC-QWHCGFSZSA-N 1 0 379.465 -1.057 20 0 GAADRO CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)n1 ZINC000643576928 1075815751 /nfs/dbraw/zinc/81/57/51/1075815751.db2.gz MDTVXDHSZCXPQC-STQMWFEESA-N 1 0 379.465 -1.057 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCN1CCO ZINC000643581060 1075815634 /nfs/dbraw/zinc/81/56/34/1075815634.db2.gz FELNYGHMLVEQKU-AWEZNQCLSA-N 1 0 383.493 -1.785 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCN1CCO ZINC000643581061 1073412018 /nfs/dbraw/zinc/41/20/18/1073412018.db2.gz FELNYGHMLVEQKU-CQSZACIVSA-N 1 0 383.493 -1.785 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCN1CCO ZINC000643590773 1073416291 /nfs/dbraw/zinc/41/62/91/1073416291.db2.gz CEQOEKFENNZNRU-HNNXBMFYSA-N 1 0 397.520 -1.252 20 0 GAADRO CC1(C)CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCN1CCO ZINC000643590774 1075815730 /nfs/dbraw/zinc/81/57/30/1075815730.db2.gz CEQOEKFENNZNRU-OAHLLOKOSA-N 1 0 397.520 -1.252 20 0 GAADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000643591857 1075815780 /nfs/dbraw/zinc/81/57/80/1075815780.db2.gz VALGCNCNLZAXKO-ILXRZTDVSA-N 1 0 381.477 -2.067 20 0 GAADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000643591858 1075815755 /nfs/dbraw/zinc/81/57/55/1075815755.db2.gz VALGCNCNLZAXKO-KKUMJFAQSA-N 1 0 381.477 -2.067 20 0 GAADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000643592192 1075815672 /nfs/dbraw/zinc/81/56/72/1075815672.db2.gz QZQHIYIFKBULBP-JYJNAYRXSA-N 1 0 395.504 -1.677 20 0 GAADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000643592193 1075815617 /nfs/dbraw/zinc/81/56/17/1075815617.db2.gz QZQHIYIFKBULBP-PMPSAXMXSA-N 1 0 395.504 -1.677 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000643592527 1073416896 /nfs/dbraw/zinc/41/68/96/1073416896.db2.gz WCTKIYRMWSOLII-OAHLLOKOSA-N 1 0 383.493 -1.650 20 0 GAADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000643593878 1075815626 /nfs/dbraw/zinc/81/56/26/1075815626.db2.gz BMAATKIHTKJWTL-OAGGEKHMSA-N 1 0 377.489 -1.038 20 0 GAADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000643593879 1075815722 /nfs/dbraw/zinc/81/57/22/1075815722.db2.gz BMAATKIHTKJWTL-XHSDSOJGSA-N 1 0 377.489 -1.038 20 0 GAADRO O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[NH2+]CC1 ZINC000644098294 1075816285 /nfs/dbraw/zinc/81/62/85/1075816285.db2.gz CPWAJQYEZGWOIS-UHFFFAOYSA-N 1 0 386.430 -1.538 20 0 GAADRO Cn1c2ncn(CCC(=O)NCC(=O)N3CC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC000644098486 1075816348 /nfs/dbraw/zinc/81/63/48/1075816348.db2.gz NGQQKXXHSDJVLB-UHFFFAOYSA-N 1 0 377.405 -2.628 20 0 GAADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000644098496 1075816418 /nfs/dbraw/zinc/81/64/18/1075816418.db2.gz OZBPIZAMZLNOOU-UHFFFAOYSA-N 1 0 399.473 -1.792 20 0 GAADRO COC[C@@]1(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCC[NH2+]1 ZINC000644125157 1075816333 /nfs/dbraw/zinc/81/63/33/1075816333.db2.gz VNKLAILQGFJAQT-KRWDZBQOSA-N 1 0 378.433 -1.291 20 0 GAADRO COC[C@]1(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCC[NH2+]1 ZINC000644125158 1075816388 /nfs/dbraw/zinc/81/63/88/1075816388.db2.gz VNKLAILQGFJAQT-QGZVFWFLSA-N 1 0 378.433 -1.291 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C[C@H]2[NH3+])cn1 ZINC000644197189 1073817439 /nfs/dbraw/zinc/81/74/39/1073817439.db2.gz LIRZIGDGANJJCI-LSDHHAIUSA-N 1 0 399.521 -1.567 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)C[C@H]2[NH3+])cn1 ZINC000644225638 1073818580 /nfs/dbraw/zinc/81/85/80/1073818580.db2.gz PMKOKZCTOJEHHD-IXDOHACOSA-N 1 0 390.488 -1.004 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)C[C@H]2[NH3+])cn1 ZINC000644225639 1075816402 /nfs/dbraw/zinc/81/64/02/1075816402.db2.gz PMKOKZCTOJEHHD-YESZJQIVSA-N 1 0 390.488 -1.004 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(CCO)C(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC000644226351 1075816359 /nfs/dbraw/zinc/81/63/59/1075816359.db2.gz DXLWNGKHOWNSJN-LSDHHAIUSA-N 1 0 378.477 -1.412 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1N1CCOCC1 ZINC000644226660 1075816374 /nfs/dbraw/zinc/81/63/74/1075816374.db2.gz SNLMNAOBDSTLGI-LLLHUVSDSA-N 1 0 390.488 -1.148 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1N1CCOCC1 ZINC000644226662 1075816413 /nfs/dbraw/zinc/81/64/13/1075816413.db2.gz SNLMNAOBDSTLGI-QMCVQRASSA-N 1 0 390.488 -1.148 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1N1CCOCC1 ZINC000644226663 1075816340 /nfs/dbraw/zinc/81/63/40/1075816340.db2.gz SNLMNAOBDSTLGI-XBVQOTNRSA-N 1 0 390.488 -1.148 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1N1CCOCC1 ZINC000644226664 1075816391 /nfs/dbraw/zinc/81/63/91/1075816391.db2.gz SNLMNAOBDSTLGI-XLNGHYISSA-N 1 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/nfs/dbraw/zinc/13/52/85/530135285.db2.gz UKBNMFMPJIOIIP-UONOGXRCSA-N 1 0 376.527 -1.068 20 0 GAADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000646211721 530135340 /nfs/dbraw/zinc/13/53/40/530135340.db2.gz UKBNMFMPJIOIIP-ZIAGYGMSSA-N 1 0 376.527 -1.068 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646417073 1075820325 /nfs/dbraw/zinc/82/03/25/1075820325.db2.gz VAKKWCABIWRDDB-CABCVRRESA-N 1 0 383.493 -1.068 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646417074 1075820268 /nfs/dbraw/zinc/82/02/68/1075820268.db2.gz VAKKWCABIWRDDB-GJZGRUSLSA-N 1 0 383.493 -1.068 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)c(=O)n2C ZINC000646450669 1075820562 /nfs/dbraw/zinc/82/05/62/1075820562.db2.gz XYIDBPKRASSZQK-CHWSQXEVSA-N 1 0 390.444 -1.245 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)c(=O)n2C ZINC000646450675 1075820448 /nfs/dbraw/zinc/82/04/48/1075820448.db2.gz XYIDBPKRASSZQK-OLZOCXBDSA-N 1 0 390.444 -1.245 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C)c(=O)n2C ZINC000646450678 1075820569 /nfs/dbraw/zinc/82/05/69/1075820569.db2.gz XYIDBPKRASSZQK-QWHCGFSZSA-N 1 0 390.444 -1.245 20 0 GAADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)c(=O)n2C ZINC000646450680 1075820523 /nfs/dbraw/zinc/82/05/23/1075820523.db2.gz XYIDBPKRASSZQK-STQMWFEESA-N 1 0 390.444 -1.245 20 0 GAADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000646467492 1075820788 /nfs/dbraw/zinc/82/07/88/1075820788.db2.gz SFNMQLKXPJTBJT-AWEZNQCLSA-N 1 0 378.433 -1.061 20 0 GAADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000646467493 1075820820 /nfs/dbraw/zinc/82/08/20/1075820820.db2.gz SFNMQLKXPJTBJT-CQSZACIVSA-N 1 0 378.433 -1.061 20 0 GAADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000646633297 1075821063 /nfs/dbraw/zinc/82/10/63/1075821063.db2.gz CDDWETGHVNARKH-UHFFFAOYSA-N 1 0 385.490 -1.319 20 0 GAADRO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCC(=O)N1CC[NH2+]CC1 ZINC000646636939 1075821066 /nfs/dbraw/zinc/82/10/66/1075821066.db2.gz JZCNSRXSLDEIRC-UHFFFAOYSA-N 1 0 382.442 -1.457 20 0 GAADRO Cn1c2ncn(CC(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)c2c(=O)n(C)c1=O ZINC000646800256 1075821594 /nfs/dbraw/zinc/82/15/94/1075821594.db2.gz XFOHRKLVZDRIKV-UHFFFAOYSA-N 1 0 388.392 -2.400 20 0 GAADRO Cn1c(=O)c2cc(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)cnc2n(C)c1=O ZINC000646800924 1075821529 /nfs/dbraw/zinc/82/15/29/1075821529.db2.gz PTCOIMTWSNHEOY-UHFFFAOYSA-N 1 0 385.388 -1.588 20 0 GAADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000646802778 1074618211 /nfs/dbraw/zinc/61/82/11/1074618211.db2.gz FSMXFLRYMNPMCL-UHFFFAOYSA-N 1 0 398.449 -1.281 20 0 GAADRO COc1ncc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1C(N)=O ZINC000646818769 1075821959 /nfs/dbraw/zinc/82/19/59/1075821959.db2.gz CTHRLGCMENDVMI-JTQLQIEISA-N 1 0 392.416 -1.294 20 0 GAADRO COc1ncc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1C(N)=O ZINC000646818770 1075821904 /nfs/dbraw/zinc/82/19/04/1075821904.db2.gz CTHRLGCMENDVMI-SNVBAGLBSA-N 1 0 392.416 -1.294 20 0 GAADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cn1 ZINC000646818911 1075821968 /nfs/dbraw/zinc/82/19/68/1075821968.db2.gz FDELOTRMOXQIFJ-LLVKDONJSA-N 1 0 379.421 -1.854 20 0 GAADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cn1 ZINC000646818912 1075821988 /nfs/dbraw/zinc/82/19/88/1075821988.db2.gz FDELOTRMOXQIFJ-NSHDSACASA-N 1 0 379.421 -1.854 20 0 GAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000646820062 1075821860 /nfs/dbraw/zinc/82/18/60/1075821860.db2.gz UVWYXEPNHCXAGL-LLVKDONJSA-N 1 0 397.457 -1.149 20 0 GAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000646820063 1075821994 /nfs/dbraw/zinc/82/19/94/1075821994.db2.gz UVWYXEPNHCXAGL-NSHDSACASA-N 1 0 397.457 -1.149 20 0 GAADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1C ZINC000646820276 1075822018 /nfs/dbraw/zinc/82/20/18/1075822018.db2.gz YIUSWFHKWXRXDW-GFCCVEGCSA-N 1 0 393.448 -1.546 20 0 GAADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1C ZINC000646820277 1074875067 /nfs/dbraw/zinc/87/50/67/1074875067.db2.gz YIUSWFHKWXRXDW-LBPRGKRZSA-N 1 0 393.448 -1.546 20 0 GAADRO COCCCn1ccc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)n1 ZINC000646820915 1075822172 /nfs/dbraw/zinc/82/21/72/1075822172.db2.gz AOEFJGWWXGEVSG-CYBMUJFWSA-N 1 0 380.449 -0.564 20 0 GAADRO COCCCn1ccc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)n1 ZINC000646820916 1075822137 /nfs/dbraw/zinc/82/21/37/1075822137.db2.gz AOEFJGWWXGEVSG-ZDUSSCGKSA-N 1 0 380.449 -0.564 20 0 GAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000646821267 1075822216 /nfs/dbraw/zinc/82/22/16/1075822216.db2.gz JTAIAKXEWBXVAR-GFCCVEGCSA-N 1 0 393.448 -1.512 20 0 GAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000646821271 1075822203 /nfs/dbraw/zinc/82/22/03/1075822203.db2.gz JTAIAKXEWBXVAR-LBPRGKRZSA-N 1 0 393.448 -1.512 20 0 GAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000646821650 1075821882 /nfs/dbraw/zinc/82/18/82/1075821882.db2.gz NWJNLUBQQSMURE-LLVKDONJSA-N 1 0 397.457 -1.149 20 0 GAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000646821652 1075821942 /nfs/dbraw/zinc/82/19/42/1075821942.db2.gz NWJNLUBQQSMURE-NSHDSACASA-N 1 0 397.457 -1.149 20 0 GAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000646822501 1075822267 /nfs/dbraw/zinc/82/22/67/1075822267.db2.gz ZXIVDFCDRIJYRB-GFCCVEGCSA-N 1 0 393.448 -1.512 20 0 GAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000646822502 1075822187 /nfs/dbraw/zinc/82/21/87/1075822187.db2.gz ZXIVDFCDRIJYRB-LBPRGKRZSA-N 1 0 393.448 -1.512 20 0 GAADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000646835596 1074618727 /nfs/dbraw/zinc/61/87/27/1074618727.db2.gz NRVYFQKCVFTDIN-CYBMUJFWSA-N 1 0 385.490 -1.239 20 0 GAADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000646835597 1075822290 /nfs/dbraw/zinc/82/22/90/1075822290.db2.gz NRVYFQKCVFTDIN-ZDUSSCGKSA-N 1 0 385.490 -1.239 20 0 GAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CCO1 ZINC000646841158 1074873128 /nfs/dbraw/zinc/87/31/28/1074873128.db2.gz UIEGTCBLYIHATH-AAEUAGOBSA-N 1 0 390.444 -0.435 20 0 GAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CCO1 ZINC000646841163 1074887933 /nfs/dbraw/zinc/88/79/33/1074887933.db2.gz UIEGTCBLYIHATH-DGCLKSJQSA-N 1 0 390.444 -0.435 20 0 GAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CCO1 ZINC000646841167 1074873077 /nfs/dbraw/zinc/87/30/77/1074873077.db2.gz UIEGTCBLYIHATH-WCQYABFASA-N 1 0 390.444 -0.435 20 0 GAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CCO1 ZINC000646841168 1075822337 /nfs/dbraw/zinc/82/23/37/1075822337.db2.gz UIEGTCBLYIHATH-YPMHNXCESA-N 1 0 390.444 -0.435 20 0 GAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCO1 ZINC000646859633 1075822165 /nfs/dbraw/zinc/82/21/65/1075822165.db2.gz RGLNIQQSUBXZTA-DOMZBBRYSA-N 1 0 396.469 -1.005 20 0 GAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCO1 ZINC000646859634 1075822152 /nfs/dbraw/zinc/82/21/52/1075822152.db2.gz RGLNIQQSUBXZTA-IUODEOHRSA-N 1 0 396.469 -1.005 20 0 GAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCO1 ZINC000646859635 1075822344 /nfs/dbraw/zinc/82/23/44/1075822344.db2.gz RGLNIQQSUBXZTA-SWLSCSKDSA-N 1 0 396.469 -1.005 20 0 GAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCO1 ZINC000646859636 1075822259 /nfs/dbraw/zinc/82/22/59/1075822259.db2.gz RGLNIQQSUBXZTA-WFASDCNBSA-N 1 0 396.469 -1.005 20 0 GAADRO 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C[NH+](C)C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1[O-] ZINC000647709956 1073903315 /nfs/dbraw/zinc/90/33/15/1073903315.db2.gz DRGUCQSQLQUCRR-BETUJISGSA-N 1 0 382.461 -1.303 20 0 GAADRO C[NH+](C)C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@@H](CO)C[NH+](C)C)c1[O-] ZINC000647709957 1073903405 /nfs/dbraw/zinc/90/34/05/1073903405.db2.gz DRGUCQSQLQUCRR-CHWSQXEVSA-N 1 0 382.461 -1.303 20 0 GAADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1[O-] ZINC000647709958 1073903298 /nfs/dbraw/zinc/90/32/98/1073903298.db2.gz DRGUCQSQLQUCRR-STQMWFEESA-N 1 0 382.461 -1.303 20 0 GAADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H](CO)NC(N)=O ZINC000647712476 1073906037 /nfs/dbraw/zinc/90/60/37/1073906037.db2.gz KOCFIVJMMIGCEC-AWEZNQCLSA-N 1 0 391.428 -1.298 20 0 GAADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H](CO)NC(N)=O ZINC000647712477 1073905893 /nfs/dbraw/zinc/90/58/93/1073905893.db2.gz KOCFIVJMMIGCEC-CQSZACIVSA-N 1 0 391.428 -1.298 20 0 GAADRO 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/nfs/dbraw/zinc/97/75/19/1073977519.db2.gz XRMPXHKYPYHGNZ-CYBMUJFWSA-N 1 0 397.501 -1.184 20 0 GAADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647779261 1073977460 /nfs/dbraw/zinc/97/74/60/1073977460.db2.gz XRMPXHKYPYHGNZ-ZDUSSCGKSA-N 1 0 397.501 -1.184 20 0 GAADRO CN(CCN1CC[NH2+]CC1)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000647834933 1075826453 /nfs/dbraw/zinc/82/64/53/1075826453.db2.gz FXMHQKMZVUCQNC-UHFFFAOYSA-N 1 0 383.518 -1.170 20 0 GAADRO COCCN(C(=O)CN(C)CCN1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000647835327 530094140 /nfs/dbraw/zinc/09/41/40/530094140.db2.gz UTJVOHZCCOITSI-HNNXBMFYSA-N 1 0 376.523 -1.515 20 0 GAADRO COCCN(C(=O)CN(C)CCN1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000647835331 530094054 /nfs/dbraw/zinc/09/40/54/530094054.db2.gz UTJVOHZCCOITSI-OAHLLOKOSA-N 1 0 376.523 -1.515 20 0 GAADRO CC(C)N(CCCNC(=O)CN(C)CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000647835798 530094168 /nfs/dbraw/zinc/09/41/68/530094168.db2.gz OUANHPFWJJQUAN-UHFFFAOYSA-N 1 0 377.555 -1.000 20 0 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CC(=O)NCC(C)(C)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000651089376 1075852400 /nfs/dbraw/zinc/85/24/00/1075852400.db2.gz CNZWIRPTLURBCQ-UHFFFAOYSA-N 1 0 389.522 -1.215 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)CC1=O ZINC000651160553 1075853393 /nfs/dbraw/zinc/85/33/93/1075853393.db2.gz QIDASYNIXJMKTO-UHFFFAOYSA-N 1 0 380.453 -1.427 20 0 GAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000651234129 1075854128 /nfs/dbraw/zinc/85/41/28/1075854128.db2.gz NWPZPEPJZIYQDK-GFCCVEGCSA-N 1 0 392.464 -1.562 20 0 GAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000651234130 1075854141 /nfs/dbraw/zinc/85/41/41/1075854141.db2.gz NWPZPEPJZIYQDK-LBPRGKRZSA-N 1 0 392.464 -1.562 20 0 GAADRO CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000651238888 1073867697 /nfs/dbraw/zinc/86/76/97/1073867697.db2.gz HGKNHUKGNJXPSQ-AWEZNQCLSA-N 1 0 387.506 -1.030 20 0 GAADRO CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000651238889 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C[NH+](C)CCN1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1=O ZINC000651792128 530086787 /nfs/dbraw/zinc/08/67/87/530086787.db2.gz FOVKFWBYPKYSIC-UHFFFAOYSA-N 1 0 390.487 -1.272 20 0 GAADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1=O ZINC000651792224 1073902597 /nfs/dbraw/zinc/90/25/97/1073902597.db2.gz JTFBIQQTPQRMLH-UHFFFAOYSA-N 1 0 395.441 -1.389 20 0 GAADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000651792262 530086718 /nfs/dbraw/zinc/08/67/18/530086718.db2.gz MEMWZSUDOABPIK-UHFFFAOYSA-N 1 0 390.487 -1.272 20 0 GAADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651793262 530086605 /nfs/dbraw/zinc/08/66/05/530086605.db2.gz DTOWTNFBQGEHAL-UHFFFAOYSA-N 1 0 384.524 -1.697 20 0 GAADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1=O ZINC000651793267 530086826 /nfs/dbraw/zinc/08/68/26/530086826.db2.gz DZZJGIOURUKISA-UHFFFAOYSA-N 1 0 390.487 -1.120 20 0 GAADRO C[NH+](C)CCN1CCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)CC1=O ZINC000651793348 530086809 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394.476 -1.179 20 0 GAADRO COc1c(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cccc1C(N)=O ZINC000651957662 1075862659 /nfs/dbraw/zinc/86/26/59/1075862659.db2.gz GZRWJMBVQRGRLC-UHFFFAOYSA-N 1 0 391.428 -1.035 20 0 GAADRO COC[C@@H](C)n1ccc(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[nH]1 ZINC000651957774 1075862381 /nfs/dbraw/zinc/86/23/81/1075862381.db2.gz LMNVOMQANQARAL-CYBMUJFWSA-N 1 0 380.449 -1.317 20 0 GAADRO COC[C@H](C)n1ccc(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[nH]1 ZINC000651957775 1075862393 /nfs/dbraw/zinc/86/23/93/1075862393.db2.gz LMNVOMQANQARAL-ZDUSSCGKSA-N 1 0 380.449 -1.317 20 0 GAADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000651957778 1075862438 /nfs/dbraw/zinc/86/24/38/1075862438.db2.gz LOZNVRLNQXQLOL-UHFFFAOYSA-N 1 0 379.421 -2.200 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N=c2ccn(Cc3ccncc3)[nH]2)CC1=O ZINC000651957781 1075862370 /nfs/dbraw/zinc/86/23/70/1075862370.db2.gz LRGPAEUMPKFMKG-UHFFFAOYSA-N 1 0 399.455 -1.081 20 0 GAADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651957794 1075862315 /nfs/dbraw/zinc/86/23/15/1075862315.db2.gz MISURPFLLJGCFV-UHFFFAOYSA-N 1 0 393.448 -1.278 20 0 GAADRO COCCc1cc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)n(C)n1 ZINC000651957843 1073446630 /nfs/dbraw/zinc/44/66/30/1073446630.db2.gz OMUFTAUPOHESKQ-UHFFFAOYSA-N 1 0 380.449 -1.220 20 0 GAADRO COc1cc(C(N)=O)ccc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651957998 1073446575 /nfs/dbraw/zinc/44/65/75/1073446575.db2.gz XFYIAPCGZKRQCP-UHFFFAOYSA-N 1 0 391.428 -1.035 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000651958007 1073446664 /nfs/dbraw/zinc/44/66/64/1073446664.db2.gz XYXRXLFONCSSBU-UHFFFAOYSA-N 1 0 397.457 -1.495 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O ZINC000651958462 1075862674 /nfs/dbraw/zinc/86/26/74/1075862674.db2.gz APJVHURZRXDBCS-UHFFFAOYSA-N 1 0 386.416 -1.167 20 0 GAADRO CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccn1 ZINC000651958518 1075862619 /nfs/dbraw/zinc/86/26/19/1075862619.db2.gz DAQMXDHESLTSGP-UHFFFAOYSA-N 1 0 390.444 -1.046 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1=O ZINC000651958550 1075862591 /nfs/dbraw/zinc/86/25/91/1075862591.db2.gz FODBQWMGWVNQCS-UHFFFAOYSA-N 1 0 375.429 -1.115 20 0 GAADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000651958628 1075862653 /nfs/dbraw/zinc/86/26/53/1075862653.db2.gz KKNRSTPZIVXDQQ-UHFFFAOYSA-N 1 0 393.448 -1.858 20 0 GAADRO COCCCn1ccc(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[nH]1 ZINC000651958641 1073450021 /nfs/dbraw/zinc/45/00/21/1073450021.db2.gz LHBRZGXEAQDADD-UHFFFAOYSA-N 1 0 380.449 -1.488 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1=O ZINC000651958643 1073450253 /nfs/dbraw/zinc/45/02/53/1073450253.db2.gz LKLOOAWYYQSOES-UHFFFAOYSA-N 1 0 391.428 -1.278 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1=O ZINC000651958681 1075862698 /nfs/dbraw/zinc/86/26/98/1075862698.db2.gz 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CN(C)CCn1ccc(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[nH]1 ZINC000651958809 1075862626 /nfs/dbraw/zinc/86/26/26/1075862626.db2.gz SYKRUOTZVPMPLA-UHFFFAOYSA-N 1 0 379.465 -1.963 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1=O ZINC000651958852 1075862607 /nfs/dbraw/zinc/86/26/07/1075862607.db2.gz VEDNQURPAOEDKH-UHFFFAOYSA-N 1 0 386.416 -1.167 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1=O ZINC000651958910 1075862645 /nfs/dbraw/zinc/86/26/45/1075862645.db2.gz XIMCSYJEXBQYKG-UHFFFAOYSA-N 1 0 386.416 -1.167 20 0 GAADRO CN(C)C(=O)Cn1ccc(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[nH]1 ZINC000651958918 1075862665 /nfs/dbraw/zinc/86/26/65/1075862665.db2.gz XNTBVCFCEKLTEN-UHFFFAOYSA-N 1 0 393.448 -2.436 20 0 GAADRO CCO[C@@H]1CN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000652142866 530085993 /nfs/dbraw/zinc/08/59/93/530085993.db2.gz GIPADDYDUBTMDV-ZIAGYGMSSA-N 1 0 377.511 -1.431 20 0 GAADRO COCC[NH2+]C1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000652143161 1075863728 /nfs/dbraw/zinc/86/37/28/1075863728.db2.gz PWKGMDRDDCWNGH-UHFFFAOYSA-N 1 0 391.538 -1.026 20 0 GAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(Cc3nc[nH]n3)CC2)cn1 ZINC000652149064 1073912091 /nfs/dbraw/zinc/91/20/91/1073912091.db2.gz QGNGUAPRIFNSGT-UHFFFAOYSA-N 1 0 375.437 -1.154 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)CC1 ZINC000652243154 1075864152 /nfs/dbraw/zinc/86/41/52/1075864152.db2.gz GEEDFBJTCMIOSN-UHFFFAOYSA-N 1 0 388.538 -1.065 20 0 GAADRO CCO[C@@H]1CN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@H]1C[NH3+] ZINC000652356918 1075864429 /nfs/dbraw/zinc/86/44/29/1075864429.db2.gz QFONZSGRSSTNOI-BZUAXINKSA-N 1 0 388.534 -1.387 20 0 GAADRO CCO[C@@H]1CN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C[C@H]1C[NH3+] ZINC000652356919 1075864351 /nfs/dbraw/zinc/86/43/51/1075864351.db2.gz QFONZSGRSSTNOI-OWCLPIDISA-N 1 0 388.534 -1.387 20 0 GAADRO CCO[C@@H]1CN(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C[C@H]1C[NH3+] ZINC000652358024 530088133 /nfs/dbraw/zinc/08/81/33/530088133.db2.gz YXEGGTPALWBBPD-QLFBSQMISA-N 1 0 377.507 -1.056 20 0 GAADRO CCO[C@@H]1CN(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C[NH3+] ZINC000652358025 530088341 /nfs/dbraw/zinc/08/83/41/530088341.db2.gz YXEGGTPALWBBPD-RBSFLKMASA-N 1 0 377.507 -1.056 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(c3ccccn3)CC2)CC1=O ZINC000652388161 1075864391 /nfs/dbraw/zinc/86/43/91/1075864391.db2.gz ZFJNODMRDYPALS-UHFFFAOYSA-N 1 0 388.472 -1.037 20 0 GAADRO CC(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652391391 1075864522 /nfs/dbraw/zinc/86/45/22/1075864522.db2.gz WVBGCZSAHHKRDZ-UHFFFAOYSA-N 1 0 381.477 -1.454 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1=O ZINC000652391714 1075864328 /nfs/dbraw/zinc/86/43/28/1075864328.db2.gz IFEHQMIEKKZWBI-INIZCTEOSA-N 1 0 395.504 -1.458 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000652395694 1073920130 /nfs/dbraw/zinc/92/01/30/1073920130.db2.gz OQQWOGIVYXKQBP-UHFFFAOYSA-N 1 0 389.478 -2.677 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1=O ZINC000652397061 1075864363 /nfs/dbraw/zinc/86/43/63/1075864363.db2.gz QFQTZBZIVNPPQC-UHFFFAOYSA-N 1 0 393.410 -1.075 20 0 GAADRO CCOCCN1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652399718 1073920321 /nfs/dbraw/zinc/92/03/21/1073920321.db2.gz BAYGOVNKJDKTIW-UHFFFAOYSA-N 1 0 383.493 -1.601 20 0 GAADRO COCC(=O)N1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652400388 1075864737 /nfs/dbraw/zinc/86/47/37/1075864737.db2.gz SIYVQYOERLYALF-UHFFFAOYSA-N 1 0 383.449 -2.464 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)CC1=O ZINC000652400444 1075864674 /nfs/dbraw/zinc/86/46/74/1075864674.db2.gz XJFQWMJJHQDGRZ-UHFFFAOYSA-N 1 0 395.504 -1.064 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)CC1=O ZINC000652400598 1075864828 /nfs/dbraw/zinc/86/48/28/1075864828.db2.gz GEOVZVPDKILKQL-UHFFFAOYSA-N 1 0 393.488 -1.310 20 0 GAADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652400621 1075864822 /nfs/dbraw/zinc/86/48/22/1075864822.db2.gz HHZWGSMCNLBGKK-UHFFFAOYSA-N 1 0 396.492 -2.501 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)CC1=O ZINC000652404451 1073920386 /nfs/dbraw/zinc/92/03/86/1073920386.db2.gz VERQYRFDEASIEY-CYBMUJFWSA-N 1 0 382.465 -1.874 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)CC1=O ZINC000652404452 1073920192 /nfs/dbraw/zinc/92/01/92/1073920192.db2.gz VERQYRFDEASIEY-ZDUSSCGKSA-N 1 0 382.465 -1.874 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(c3cnccn3)CC2)CC1=O ZINC000652406662 1073920167 /nfs/dbraw/zinc/92/01/67/1073920167.db2.gz ICSNZIYQMBVQRL-UHFFFAOYSA-N 1 0 389.460 -1.642 20 0 GAADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000652407344 1073920454 /nfs/dbraw/zinc/92/04/54/1073920454.db2.gz DLFUUTDIFPMNOL-UHFFFAOYSA-N 1 0 392.464 -1.712 20 0 GAADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000652407438 1075864848 /nfs/dbraw/zinc/86/48/48/1075864848.db2.gz UMSOURDZKRFQDM-UHFFFAOYSA-N 1 0 394.480 -1.562 20 0 GAADRO Cn1cnnc1C1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652409501 1075864811 /nfs/dbraw/zinc/86/48/11/1075864811.db2.gz GRUUNXPCZMLURE-UHFFFAOYSA-N 1 0 391.476 -1.247 20 0 GAADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000652410401 1073921041 /nfs/dbraw/zinc/92/10/41/1073921041.db2.gz BXDWGQUPOBUVMV-UHFFFAOYSA-N 1 0 393.488 -1.120 20 0 GAADRO CC(C)C(=O)N1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652412750 1075864837 /nfs/dbraw/zinc/86/48/37/1075864837.db2.gz ZIMYUXRPQIVRAP-UHFFFAOYSA-N 1 0 395.504 -1.064 20 0 GAADRO CCC(=O)N1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652413403 1073921650 /nfs/dbraw/zinc/92/16/50/1073921650.db2.gz YEHPMQKXMNJDQQ-UHFFFAOYSA-N 1 0 381.477 -1.310 20 0 GAADRO COCCO[C@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652414282 1075864778 /nfs/dbraw/zinc/86/47/78/1075864778.db2.gz NIJGAVWGHNMXIE-HNNXBMFYSA-N 1 0 384.477 -1.127 20 0 GAADRO COCCO[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652414283 1073921604 /nfs/dbraw/zinc/92/16/04/1073921604.db2.gz NIJGAVWGHNMXIE-OAHLLOKOSA-N 1 0 384.477 -1.127 20 0 GAADRO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652415901 1075864858 /nfs/dbraw/zinc/86/48/58/1075864858.db2.gz QSCHLMDOLBDKFG-HNNXBMFYSA-N 1 0 381.477 -1.407 20 0 GAADRO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652415902 1075864710 /nfs/dbraw/zinc/86/47/10/1075864710.db2.gz QSCHLMDOLBDKFG-OAHLLOKOSA-N 1 0 381.477 -1.407 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)CC1=O ZINC000652421471 1075865120 /nfs/dbraw/zinc/86/51/20/1075865120.db2.gz WYERHJWZAPKBEF-UHFFFAOYSA-N 1 0 375.420 -1.372 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CC1=O ZINC000652424865 1073921695 /nfs/dbraw/zinc/92/16/95/1073921695.db2.gz IIKVNWVXMAYKIO-KBPBESRZSA-N 1 0 379.461 -1.512 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1=O ZINC000652424866 1073921557 /nfs/dbraw/zinc/92/15/57/1073921557.db2.gz IIKVNWVXMAYKIO-KGLIPLIRSA-N 1 0 379.461 -1.512 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CC1=O ZINC000652424867 1073921638 /nfs/dbraw/zinc/92/16/38/1073921638.db2.gz IIKVNWVXMAYKIO-UONOGXRCSA-N 1 0 379.461 -1.512 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC1=O ZINC000652424868 1073921571 /nfs/dbraw/zinc/92/15/71/1073921571.db2.gz IIKVNWVXMAYKIO-ZIAGYGMSSA-N 1 0 379.461 -1.512 20 0 GAADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652425301 1075865062 /nfs/dbraw/zinc/86/50/62/1075865062.db2.gz MRAKMOSBNQYBCB-AWEZNQCLSA-N 1 0 381.477 -1.264 20 0 GAADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652425302 1073921613 /nfs/dbraw/zinc/92/16/13/1073921613.db2.gz MRAKMOSBNQYBCB-CQSZACIVSA-N 1 0 381.477 -1.264 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1=O ZINC000652428317 1075865074 /nfs/dbraw/zinc/86/50/74/1075865074.db2.gz DCFPCPYJEZNNPR-UHFFFAOYSA-N 1 0 389.460 -1.642 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1=O ZINC000652429200 1073921714 /nfs/dbraw/zinc/92/17/14/1073921714.db2.gz BUWHIWUPYSJXQR-UHFFFAOYSA-N 1 0 383.493 -1.866 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(N3CCCC3=O)CC2)CC1=O ZINC000652432765 1075865103 /nfs/dbraw/zinc/86/51/03/1075865103.db2.gz ABGKXHVARHCTQC-UHFFFAOYSA-N 1 0 393.488 -1.168 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)CC1=O ZINC000652440152 1073922538 /nfs/dbraw/zinc/92/25/38/1073922538.db2.gz YSVUCYPCDGQXIF-HNNXBMFYSA-N 1 0 393.488 -1.168 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)CC1=O ZINC000652440153 1073922507 /nfs/dbraw/zinc/92/25/07/1073922507.db2.gz YSVUCYPCDGQXIF-OAHLLOKOSA-N 1 0 393.488 -1.168 20 0 GAADRO COCCOC1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652442694 1073922377 /nfs/dbraw/zinc/92/23/77/1073922377.db2.gz RQFHARSSHFEFLT-UHFFFAOYSA-N 1 0 384.477 -1.127 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1=O ZINC000652443676 530088794 /nfs/dbraw/zinc/08/87/94/530088794.db2.gz QPVWIDWWWPPDRG-LLVKDONJSA-N 1 0 375.451 -2.892 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1=O ZINC000652443677 530088861 /nfs/dbraw/zinc/08/88/61/530088861.db2.gz QPVWIDWWWPPDRG-NSHDSACASA-N 1 0 375.451 -2.892 20 0 GAADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652446951 530088593 /nfs/dbraw/zinc/08/85/93/530088593.db2.gz HZOCDXYOAFZIEV-GFCCVEGCSA-N 1 0 376.479 -1.890 20 0 GAADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652446952 530088654 /nfs/dbraw/zinc/08/86/54/530088654.db2.gz HZOCDXYOAFZIEV-LBPRGKRZSA-N 1 0 376.479 -1.890 20 0 GAADRO Cn1cc(N2CCN(C(=O)C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)CC2)cn1 ZINC000652447027 1073922576 /nfs/dbraw/zinc/92/25/76/1073922576.db2.gz LKXWHTWJDAJYNQ-UHFFFAOYSA-N 1 0 391.476 -1.699 20 0 GAADRO CCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@H](C)CS(C)(=O)=O ZINC000652448127 1075865512 /nfs/dbraw/zinc/86/55/12/1075865512.db2.gz WHTAHGUNOYVIBP-CYBMUJFWSA-N 1 0 390.506 -1.500 20 0 GAADRO CCN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H](C)CS(C)(=O)=O ZINC000652448128 1075865531 /nfs/dbraw/zinc/86/55/31/1075865531.db2.gz WHTAHGUNOYVIBP-ZDUSSCGKSA-N 1 0 390.506 -1.500 20 0 GAADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652449326 1075865475 /nfs/dbraw/zinc/86/54/75/1075865475.db2.gz ZADNWNOHDCZCGG-CHWSQXEVSA-N 1 0 390.506 -1.501 20 0 GAADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652449327 1073922364 /nfs/dbraw/zinc/92/23/64/1073922364.db2.gz ZADNWNOHDCZCGG-OLZOCXBDSA-N 1 0 390.506 -1.501 20 0 GAADRO C[C@H]([C@H](C)N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)S(C)(=O)=O ZINC000652449328 1073922567 /nfs/dbraw/zinc/92/25/67/1073922567.db2.gz ZADNWNOHDCZCGG-QWHCGFSZSA-N 1 0 390.506 -1.501 20 0 GAADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652449329 1073922348 /nfs/dbraw/zinc/92/23/48/1073922348.db2.gz ZADNWNOHDCZCGG-STQMWFEESA-N 1 0 390.506 -1.501 20 0 GAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC000652452357 1073922913 /nfs/dbraw/zinc/92/29/13/1073922913.db2.gz MYLZPGJWTKRHFR-AWEZNQCLSA-N 1 0 383.449 -2.418 20 0 GAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC000652452358 1073922891 /nfs/dbraw/zinc/92/28/91/1073922891.db2.gz MYLZPGJWTKRHFR-CQSZACIVSA-N 1 0 383.449 -2.418 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)CC1=O ZINC000652452419 1075865498 /nfs/dbraw/zinc/86/54/98/1075865498.db2.gz RFYGJFWFKZGSSD-INIZCTEOSA-N 1 0 395.504 -1.458 20 0 GAADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)O1 ZINC000652453327 1075865359 /nfs/dbraw/zinc/86/53/59/1075865359.db2.gz BHPMPFLXTOXRJL-IYBDPMFKSA-N 1 0 397.520 -1.214 20 0 GAADRO 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1 0 396.492 -2.373 20 0 GAADRO CC(C)CN1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1=O ZINC000652465677 1075865891 /nfs/dbraw/zinc/86/58/91/1075865891.db2.gz IOVRANYPVKDFBS-UHFFFAOYSA-N 1 0 381.477 -1.454 20 0 GAADRO COCCOC[C@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652466245 1075865774 /nfs/dbraw/zinc/86/57/74/1075865774.db2.gz JMZLOMUMDGUILF-HNNXBMFYSA-N 1 0 384.477 -1.270 20 0 GAADRO COCCOC[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652466246 1075865839 /nfs/dbraw/zinc/86/58/39/1075865839.db2.gz JMZLOMUMDGUILF-OAHLLOKOSA-N 1 0 384.477 -1.270 20 0 GAADRO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652466723 1075865798 /nfs/dbraw/zinc/86/57/98/1075865798.db2.gz LAGANDOCUKUNOS-UHFFFAOYSA-N 1 0 395.504 -1.016 20 0 GAADRO COCCN(Cc1ccnn1C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652467426 1073923134 /nfs/dbraw/zinc/92/31/34/1073923134.db2.gz XDZOMHKNUNMLCV-UHFFFAOYSA-N 1 0 394.476 -1.373 20 0 GAADRO 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GAADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652477285 1075866197 /nfs/dbraw/zinc/86/61/97/1075866197.db2.gz NVXMTMPIQYEHLX-HNNXBMFYSA-N 1 0 397.520 -1.478 20 0 GAADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652477286 1073924461 /nfs/dbraw/zinc/92/44/61/1073924461.db2.gz NVXMTMPIQYEHLX-OAHLLOKOSA-N 1 0 397.520 -1.478 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1=O ZINC000652477791 1073924513 /nfs/dbraw/zinc/92/45/13/1073924513.db2.gz NWAWAIHIMJDBHC-CABCVRRESA-N 1 0 382.461 -1.375 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1=O ZINC000652477792 1075866089 /nfs/dbraw/zinc/86/60/89/1075866089.db2.gz NWAWAIHIMJDBHC-GJZGRUSLSA-N 1 0 382.461 -1.375 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1=O ZINC000652477793 1075866129 /nfs/dbraw/zinc/86/61/29/1075866129.db2.gz NWAWAIHIMJDBHC-HUUCEWRRSA-N 1 0 382.461 -1.375 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1=O ZINC000652477794 1075866171 /nfs/dbraw/zinc/86/61/71/1075866171.db2.gz NWAWAIHIMJDBHC-LSDHHAIUSA-N 1 0 382.461 -1.375 20 0 GAADRO Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652480119 1073925124 /nfs/dbraw/zinc/92/51/24/1073925124.db2.gz HCWVYBACASJJAB-AWEZNQCLSA-N 1 0 376.461 -1.032 20 0 GAADRO Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652480120 1073924939 /nfs/dbraw/zinc/92/49/39/1073924939.db2.gz HCWVYBACASJJAB-CQSZACIVSA-N 1 0 376.461 -1.032 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1=O ZINC000652481191 1073924533 /nfs/dbraw/zinc/92/45/33/1073924533.db2.gz FAKYWHPGSSPWNQ-CABCVRRESA-N 1 0 393.488 -1.264 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1=O ZINC000652481192 1075866258 /nfs/dbraw/zinc/86/62/58/1075866258.db2.gz FAKYWHPGSSPWNQ-GJZGRUSLSA-N 1 0 393.488 -1.264 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1=O ZINC000652481193 1073924363 /nfs/dbraw/zinc/92/43/63/1073924363.db2.gz FAKYWHPGSSPWNQ-HUUCEWRRSA-N 1 0 393.488 -1.264 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1=O ZINC000652481194 1073924580 /nfs/dbraw/zinc/92/45/80/1073924580.db2.gz FAKYWHPGSSPWNQ-LSDHHAIUSA-N 1 0 393.488 -1.264 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCOCC3(CCOCC3)C2)CC1=O ZINC000652483161 1073924309 /nfs/dbraw/zinc/92/43/09/1073924309.db2.gz HFULGQCHOZQUOW-UHFFFAOYSA-N 1 0 396.488 -1.126 20 0 GAADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CCO2 ZINC000652483354 1073924290 /nfs/dbraw/zinc/92/42/90/1073924290.db2.gz TYIMZDFOHOTTHF-KBXCAEBGSA-N 1 0 382.461 -1.375 20 0 GAADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CCO2 ZINC000652483355 1073924449 /nfs/dbraw/zinc/92/44/49/1073924449.db2.gz TYIMZDFOHOTTHF-KDOFPFPSSA-N 1 0 382.461 -1.375 20 0 GAADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CCO2 ZINC000652483356 1073924340 /nfs/dbraw/zinc/92/43/40/1073924340.db2.gz TYIMZDFOHOTTHF-KSSFIOAISA-N 1 0 382.461 -1.375 20 0 GAADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CCO2 ZINC000652483357 1073924415 /nfs/dbraw/zinc/92/44/15/1073924415.db2.gz TYIMZDFOHOTTHF-RDTXWAMCSA-N 1 0 382.461 -1.375 20 0 GAADRO CCn1nccc1CN(CCO)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652483773 1073924485 /nfs/dbraw/zinc/92/44/85/1073924485.db2.gz OGQZZBJXVQCINJ-UHFFFAOYSA-N 1 0 394.476 -1.544 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1=O ZINC000652484060 1073924990 /nfs/dbraw/zinc/92/49/90/1073924990.db2.gz AIVTZKXWSFGACW-UHFFFAOYSA-N 1 0 393.366 -1.591 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCc3cc[nH]c(=O)c3C2)CC1=O ZINC000652484696 1073925208 /nfs/dbraw/zinc/92/52/08/1073925208.db2.gz LRFYGWNUSQWAEC-UHFFFAOYSA-N 1 0 375.429 -1.096 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1=O ZINC000652491919 1075866115 /nfs/dbraw/zinc/86/61/15/1075866115.db2.gz PBMQXGZNPWNIJF-AWEZNQCLSA-N 1 0 377.449 -1.326 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1=O ZINC000652491920 1075866137 /nfs/dbraw/zinc/86/61/37/1075866137.db2.gz PBMQXGZNPWNIJF-CQSZACIVSA-N 1 0 377.449 -1.326 20 0 GAADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652491948 1073925100 /nfs/dbraw/zinc/92/51/00/1073925100.db2.gz QGBOFHNDLIFVAX-UHFFFAOYSA-N 1 0 397.520 -1.212 20 0 GAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000652492947 1075866160 /nfs/dbraw/zinc/86/61/60/1075866160.db2.gz UOQQKTPLHQBPDW-LLVKDONJSA-N 1 0 378.437 -1.687 20 0 GAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000652492948 1075866179 /nfs/dbraw/zinc/86/61/79/1075866179.db2.gz UOQQKTPLHQBPDW-NSHDSACASA-N 1 0 378.437 -1.687 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H](Nc3ncccn3)C2)CC1=O ZINC000652494017 1075866612 /nfs/dbraw/zinc/86/66/12/1075866612.db2.gz SQJKREXDCHZJJG-AWEZNQCLSA-N 1 0 389.460 -1.278 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](Nc3ncccn3)C2)CC1=O ZINC000652494018 1073925180 /nfs/dbraw/zinc/92/51/80/1073925180.db2.gz SQJKREXDCHZJJG-CQSZACIVSA-N 1 0 389.460 -1.278 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCO[C@@]3(CCSC3)C2)CC1=O ZINC000652494168 1073924901 /nfs/dbraw/zinc/92/49/01/1073924901.db2.gz YARRLLPRPUAENV-KRWDZBQOSA-N 1 0 384.502 -1.047 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCO[C@]3(CCSC3)C2)CC1=O ZINC000652494169 1073925053 /nfs/dbraw/zinc/92/50/53/1073925053.db2.gz YARRLLPRPUAENV-QGZVFWFLSA-N 1 0 384.502 -1.047 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1=O ZINC000652505318 1073925315 /nfs/dbraw/zinc/92/53/15/1073925315.db2.gz BTJQLSKFPNVFBQ-UHFFFAOYSA-N 1 0 388.490 -1.746 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC1=O ZINC000652505343 1073925279 /nfs/dbraw/zinc/92/52/79/1073925279.db2.gz FZVFHPURVVFDLB-UHFFFAOYSA-N 1 0 383.493 -1.866 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(F)(F)[C@@H](CO)C2)CC1=O ZINC000652505345 1075866533 /nfs/dbraw/zinc/86/65/33/1075866533.db2.gz GFOFPFVROZZOJR-GFCCVEGCSA-N 1 0 376.404 -1.305 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(F)(F)[C@H](CO)C2)CC1=O ZINC000652505346 1075866427 /nfs/dbraw/zinc/86/64/27/1075866427.db2.gz GFOFPFVROZZOJR-LBPRGKRZSA-N 1 0 376.404 -1.305 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)CC1=O ZINC000652505355 1075866447 /nfs/dbraw/zinc/86/64/47/1075866447.db2.gz GZYZKHSQIJKOCQ-GOSISDBHSA-N 1 0 382.461 -1.373 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)CC1=O ZINC000652505356 1073924963 /nfs/dbraw/zinc/92/49/63/1073924963.db2.gz GZYZKHSQIJKOCQ-SFHVURJKSA-N 1 0 382.461 -1.373 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)N1CCO ZINC000652505379 1075866473 /nfs/dbraw/zinc/86/64/73/1075866473.db2.gz JSYLHPOJVVJONM-GASCZTMLSA-N 1 0 383.493 -1.868 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(CCC(N)=O)CC2)CC1=O ZINC000652505390 1073925013 /nfs/dbraw/zinc/92/50/13/1073925013.db2.gz KPSVXABMTRYTIY-UHFFFAOYSA-N 1 0 381.477 -1.277 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(Cn3cnnc3)CC2)CC1=O ZINC000652505416 1073925892 /nfs/dbraw/zinc/92/58/92/1073925892.db2.gz OTKYAJAEEPWLMU-UHFFFAOYSA-N 1 0 391.476 -1.251 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)CC1=O ZINC000652505444 1075866833 /nfs/dbraw/zinc/86/68/33/1075866833.db2.gz SGKJAGIEAACRPC-UHFFFAOYSA-N 1 0 382.421 -3.625 20 0 GAADRO Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652541997 1073926373 /nfs/dbraw/zinc/92/63/73/1073926373.db2.gz MHWQZJMKINUZAX-HNNXBMFYSA-N 1 0 392.460 -1.448 20 0 GAADRO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652541998 1073926507 /nfs/dbraw/zinc/92/65/07/1073926507.db2.gz MHWQZJMKINUZAX-OAHLLOKOSA-N 1 0 392.460 -1.448 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652545731 1073927079 /nfs/dbraw/zinc/92/70/79/1073927079.db2.gz MZVATROAGCWLHY-UHFFFAOYSA-N 1 0 397.520 -1.163 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)CC1=O ZINC000652552127 1073927834 /nfs/dbraw/zinc/92/78/34/1073927834.db2.gz KEWMQNGUPFRUPQ-ZIAGYGMSSA-N 1 0 382.461 -1.376 20 0 GAADRO CCO[C@@H]1CN(C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)C[C@H]1C[NH3+] ZINC000652579436 1073928546 /nfs/dbraw/zinc/92/85/46/1073928546.db2.gz YDLATQDSGWQFJU-ZIAGYGMSSA-N 1 0 380.449 -1.009 20 0 GAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)cn1 ZINC000652622543 1075868667 /nfs/dbraw/zinc/86/86/67/1075868667.db2.gz NLFVEMBFCYEQPG-HNNXBMFYSA-N 1 0 391.476 -1.194 20 0 GAADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cn1 ZINC000652622544 1075868872 /nfs/dbraw/zinc/86/88/72/1075868872.db2.gz NLFVEMBFCYEQPG-OAHLLOKOSA-N 1 0 391.476 -1.194 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N=c2ccn(CCN3CCOCC3)[nH]2)C[C@H]1C[NH3+] ZINC000652635810 1073930402 /nfs/dbraw/zinc/93/04/02/1073930402.db2.gz IENNMNZMZCQTNP-HUUCEWRRSA-N 1 0 394.476 -1.602 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000652636510 1073930308 /nfs/dbraw/zinc/93/03/08/1073930308.db2.gz MYSFOPCJJGRCOW-GDBMZVCRSA-N 1 0 394.476 -1.024 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C[C@H]1C[NH3+] ZINC000652636620 1073930513 /nfs/dbraw/zinc/93/05/13/1073930513.db2.gz RJWGDVWRJPOZNV-BXUZGUMPSA-N 1 0 378.433 -1.078 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C[C@H]1C[NH3+] ZINC000652636640 1073930391 /nfs/dbraw/zinc/93/03/91/1073930391.db2.gz SMCNCNSNVRWRAG-TZMCWYRMSA-N 1 0 390.444 -1.222 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCCOC)c2)C[C@H]1C[NH3+] ZINC000652636737 1073930302 /nfs/dbraw/zinc/93/03/02/1073930302.db2.gz XEONYMFWOVIXRG-TZMCWYRMSA-N 1 0 396.448 -1.594 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@H]1C[NH3+] ZINC000652663672 1073940749 /nfs/dbraw/zinc/94/07/49/1073940749.db2.gz JSBHHENZJFTDJD-ZIAGYGMSSA-N 1 0 394.476 -1.290 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000652664959 1073940753 /nfs/dbraw/zinc/94/07/53/1073940753.db2.gz XYOGITGBTPWMRL-UKRRQHHQSA-N 1 0 383.493 -1.523 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NCCCN(CC)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652667026 530090680 /nfs/dbraw/zinc/09/06/80/530090680.db2.gz AEVHVMZKDKWLAO-CHWSQXEVSA-N 1 0 378.495 -1.404 20 0 GAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652667107 1075868880 /nfs/dbraw/zinc/86/88/80/1075868880.db2.gz DFDPMDKHLZOQMP-UHFFFAOYSA-N 1 0 389.522 -1.814 20 0 GAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652667178 530090956 /nfs/dbraw/zinc/09/09/56/530090956.db2.gz HQXMGINFPGHLLR-UHFFFAOYSA-N 1 0 375.495 -2.075 20 0 GAADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000652667470 1073941164 /nfs/dbraw/zinc/94/11/64/1073941164.db2.gz SDPYXSNYDMIRKP-UHFFFAOYSA-N 1 0 389.522 -1.733 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C[C@H]1C[NH3+] 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C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)[C@H]2C1 ZINC000661408911 1073904056 /nfs/dbraw/zinc/90/40/56/1073904056.db2.gz RRDXJGDIMGDFEM-HIFRSBDPSA-N 1 0 391.472 -1.512 20 0 GAADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)[C@@H]2C1 ZINC000661409026 1073903983 /nfs/dbraw/zinc/90/39/83/1073903983.db2.gz RRDXJGDIMGDFEM-UKRRQHHQSA-N 1 0 391.472 -1.512 20 0 GAADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)[C@H]2C1 ZINC000661409029 1073903902 /nfs/dbraw/zinc/90/39/02/1073903902.db2.gz RRDXJGDIMGDFEM-ZFWWWQNUSA-N 1 0 391.472 -1.512 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000661651591 1073912332 /nfs/dbraw/zinc/91/23/32/1073912332.db2.gz AFGIPGXILZHKGU-QLFBSQMISA-N 1 0 391.472 -1.512 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000661651594 1073912152 /nfs/dbraw/zinc/91/21/52/1073912152.db2.gz AFGIPGXILZHKGU-RBSFLKMASA-N 1 0 391.472 -1.512 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000661663349 1073912204 /nfs/dbraw/zinc/91/22/04/1073912204.db2.gz QLEMRLPIWZFECY-INIZCTEOSA-N 1 0 397.520 -1.118 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000661663350 1073912259 /nfs/dbraw/zinc/91/22/59/1073912259.db2.gz QLEMRLPIWZFECY-MRXNPFEDSA-N 1 0 397.520 -1.118 20 0 GAADRO Cn1c(N)c(C(=O)CN(CCN2CCOCC2)CC2CC2)c(=O)n(C)c1=O ZINC000661971632 1073919809 /nfs/dbraw/zinc/91/98/09/1073919809.db2.gz DVEIYJRRKVOKKU-UHFFFAOYSA-N 1 0 379.461 -1.107 20 0 GAADRO Cn1c2ncn(CCN3CCC([N@@H+]4CC[C@H](O)C4)CC3)c2c(=O)n(C)c1=O ZINC000662153824 1073927873 /nfs/dbraw/zinc/92/78/73/1073927873.db2.gz CSSKPHRGRKWLGD-AWEZNQCLSA-N 1 0 376.461 -1.035 20 0 GAADRO Cn1c2ncn(CCN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2c(=O)n(C)c1=O ZINC000662153825 1073927850 /nfs/dbraw/zinc/92/78/50/1073927850.db2.gz CSSKPHRGRKWLGD-CQSZACIVSA-N 1 0 376.461 -1.035 20 0 GAADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154248 1073927786 /nfs/dbraw/zinc/92/77/86/1073927786.db2.gz GHVICHHNAYIEKH-AAEUAGOBSA-N 1 0 379.461 -1.232 20 0 GAADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154249 1073927725 /nfs/dbraw/zinc/92/77/25/1073927725.db2.gz GHVICHHNAYIEKH-DGCLKSJQSA-N 1 0 379.461 -1.232 20 0 GAADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154250 1073928376 /nfs/dbraw/zinc/92/83/76/1073928376.db2.gz GHVICHHNAYIEKH-WCQYABFASA-N 1 0 379.461 -1.232 20 0 GAADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154251 1073928429 /nfs/dbraw/zinc/92/84/29/1073928429.db2.gz GHVICHHNAYIEKH-YPMHNXCESA-N 1 0 379.461 -1.232 20 0 GAADRO COCCn1c(N)c(C(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(=O)[nH]c1=O ZINC000662154960 1073927636 /nfs/dbraw/zinc/92/76/36/1073927636.db2.gz HUWXFVSEXKUKRZ-CYBMUJFWSA-N 1 0 395.460 -1.109 20 0 GAADRO COCCn1c(N)c(C(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(=O)[nH]c1=O ZINC000662154965 1073927671 /nfs/dbraw/zinc/92/76/71/1073927671.db2.gz HUWXFVSEXKUKRZ-ZDUSSCGKSA-N 1 0 395.460 -1.109 20 0 GAADRO CN(CCCNC(=O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)S(C)(=O)=O ZINC000662156445 530178122 /nfs/dbraw/zinc/17/81/22/530178122.db2.gz MDNFDQSHFHJYDN-HNNXBMFYSA-N 1 0 376.523 -1.085 20 0 GAADRO CN(CCCNC(=O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)S(C)(=O)=O ZINC000662156458 530178094 /nfs/dbraw/zinc/17/80/94/530178094.db2.gz MDNFDQSHFHJYDN-OAHLLOKOSA-N 1 0 376.523 -1.085 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000662160730 1073928408 /nfs/dbraw/zinc/92/84/08/1073928408.db2.gz PTDQLNYPKCXJRM-KRWDZBQOSA-N 1 0 381.521 -1.250 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000662160731 1073928317 /nfs/dbraw/zinc/92/83/17/1073928317.db2.gz PTDQLNYPKCXJRM-QGZVFWFLSA-N 1 0 381.521 -1.250 20 0 GAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662287807 1073931681 /nfs/dbraw/zinc/93/16/81/1073931681.db2.gz JYRUBCAPOYMMPN-CYBMUJFWSA-N 1 0 392.464 -2.374 20 0 GAADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662287808 1073931643 /nfs/dbraw/zinc/93/16/43/1073931643.db2.gz JYRUBCAPOYMMPN-ZDUSSCGKSA-N 1 0 392.464 -2.374 20 0 GAADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662288184 1073931014 /nfs/dbraw/zinc/93/10/14/1073931014.db2.gz FEFJWWKIZXSOOR-AAEUAGOBSA-N 1 0 386.474 -1.775 20 0 GAADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288185 1073931046 /nfs/dbraw/zinc/93/10/46/1073931046.db2.gz FEFJWWKIZXSOOR-DGCLKSJQSA-N 1 0 386.474 -1.775 20 0 GAADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288186 1073931258 /nfs/dbraw/zinc/93/12/58/1073931258.db2.gz FEFJWWKIZXSOOR-WCQYABFASA-N 1 0 386.474 -1.775 20 0 GAADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000662288187 1073931030 /nfs/dbraw/zinc/93/10/30/1073931030.db2.gz FEFJWWKIZXSOOR-YPMHNXCESA-N 1 0 386.474 -1.775 20 0 GAADRO Cc1ccc(NC(=O)CN(CC[NH3+])C[C@H](O)CO)cc1S(=O)(=O)N(C)C ZINC000662288387 1073931227 /nfs/dbraw/zinc/93/12/27/1073931227.db2.gz HDHSWNLEQKZQRL-AWEZNQCLSA-N 1 0 388.490 -1.202 20 0 GAADRO Cc1ccc(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)cc1S(=O)(=O)N(C)C ZINC000662288388 1073931235 /nfs/dbraw/zinc/93/12/35/1073931235.db2.gz HDHSWNLEQKZQRL-CQSZACIVSA-N 1 0 388.490 -1.202 20 0 GAADRO [NH3+]CCN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C[C@H](O)CO ZINC000662288585 1073931246 /nfs/dbraw/zinc/93/12/46/1073931246.db2.gz QRXWNCVHAJRRLD-INIZCTEOSA-N 1 0 379.461 -1.023 20 0 GAADRO [NH3+]CCN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C[C@@H](O)CO ZINC000662288586 1073931211 /nfs/dbraw/zinc/93/12/11/1073931211.db2.gz QRXWNCVHAJRRLD-MRXNPFEDSA-N 1 0 379.461 -1.023 20 0 GAADRO COc1ccc(CN2CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)cc1 ZINC000662288619 1073931133 /nfs/dbraw/zinc/93/11/33/1073931133.db2.gz RQRXPFYTOCUARE-KRWDZBQOSA-N 1 0 380.489 -1.047 20 0 GAADRO COc1ccc(CN2CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)cc1 ZINC000662288620 1073931116 /nfs/dbraw/zinc/93/11/16/1073931116.db2.gz RQRXPFYTOCUARE-QGZVFWFLSA-N 1 0 380.489 -1.047 20 0 GAADRO [NH3+]CCN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C[C@@H](O)CO ZINC000662288631 1073931096 /nfs/dbraw/zinc/93/10/96/1073931096.db2.gz RZCZNDBFEWBRKM-GOSISDBHSA-N 1 0 392.500 -1.120 20 0 GAADRO [NH3+]CCN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C[C@H](O)CO ZINC000662288632 1073931151 /nfs/dbraw/zinc/93/11/51/1073931151.db2.gz RZCZNDBFEWBRKM-SFHVURJKSA-N 1 0 392.500 -1.120 20 0 GAADRO [NH3+]CCN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C[C@H](O)CO ZINC000662288698 1073931266 /nfs/dbraw/zinc/93/12/66/1073931266.db2.gz LLBBSUJTWSRUHF-CVEARBPZSA-N 1 0 391.534 -1.051 20 0 GAADRO [NH3+]CCN(CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C[C@H](O)CO ZINC000662288701 1073931200 /nfs/dbraw/zinc/93/12/00/1073931200.db2.gz LLBBSUJTWSRUHF-HOTGVXAUSA-N 1 0 391.534 -1.051 20 0 GAADRO [NH3+]CCN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C[C@@H](O)CO ZINC000662288703 1073931252 /nfs/dbraw/zinc/93/12/52/1073931252.db2.gz LLBBSUJTWSRUHF-HZPDHXFCSA-N 1 0 391.534 -1.051 20 0 GAADRO [NH3+]CCN(CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C[C@@H](O)CO ZINC000662288704 1073931080 /nfs/dbraw/zinc/93/10/80/1073931080.db2.gz LLBBSUJTWSRUHF-JKSUJKDBSA-N 1 0 391.534 -1.051 20 0 GAADRO [NH3+]CCN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C[C@H](O)CO ZINC000662289232 1073931670 /nfs/dbraw/zinc/93/16/70/1073931670.db2.gz RPXPGPRNAURDDH-ILXRZTDVSA-N 1 0 393.506 -2.205 20 0 GAADRO [NH3+]CCN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)CO ZINC000662289239 1073931949 /nfs/dbraw/zinc/93/19/49/1073931949.db2.gz RPXPGPRNAURDDH-KFWWJZLASA-N 1 0 393.506 -2.205 20 0 GAADRO [NH3+]CCN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C[C@H](O)CO ZINC000662289240 1073931972 /nfs/dbraw/zinc/93/19/72/1073931972.db2.gz RPXPGPRNAURDDH-KKUMJFAQSA-N 1 0 393.506 -2.205 20 0 GAADRO [NH3+]CCN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C[C@@H](O)CO ZINC000662289241 1073931961 /nfs/dbraw/zinc/93/19/61/1073931961.db2.gz RPXPGPRNAURDDH-ZNMIVQPWSA-N 1 0 393.506 -2.205 20 0 GAADRO [NH3+]CCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@H](O)CO ZINC000662289616 1073931829 /nfs/dbraw/zinc/93/18/29/1073931829.db2.gz TYTJHUXWDCNHJL-KRWDZBQOSA-N 1 0 394.472 -1.611 20 0 GAADRO [NH3+]CCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@@H](O)CO ZINC000662289617 1073931787 /nfs/dbraw/zinc/93/17/87/1073931787.db2.gz TYTJHUXWDCNHJL-QGZVFWFLSA-N 1 0 394.472 -1.611 20 0 GAADRO [NH3+]CCN(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C[C@H](O)CO ZINC000662289821 530178385 /nfs/dbraw/zinc/17/83/85/530178385.db2.gz WNOGSGVXDJCCQR-CABCVRRESA-N 1 0 377.507 -1.441 20 0 GAADRO [NH3+]CCN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C[C@H](O)CO ZINC000662289822 530178312 /nfs/dbraw/zinc/17/83/12/530178312.db2.gz WNOGSGVXDJCCQR-GJZGRUSLSA-N 1 0 377.507 -1.441 20 0 GAADRO [NH3+]CCN(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)CO ZINC000662289823 530177948 /nfs/dbraw/zinc/17/79/48/530177948.db2.gz WNOGSGVXDJCCQR-HUUCEWRRSA-N 1 0 377.507 -1.441 20 0 GAADRO [NH3+]CCN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C[C@@H](O)CO ZINC000662289824 530178379 /nfs/dbraw/zinc/17/83/79/530178379.db2.gz WNOGSGVXDJCCQR-LSDHHAIUSA-N 1 0 377.507 -1.441 20 0 GAADRO O=C(CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNC(=O)C1 ZINC000662334730 1073931988 /nfs/dbraw/zinc/93/19/88/1073931988.db2.gz CNCOUFLAILIYHH-AWEZNQCLSA-N 1 0 375.477 -1.043 20 0 GAADRO O=C(CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNC(=O)C1 ZINC000662334731 1073931870 /nfs/dbraw/zinc/93/18/70/1073931870.db2.gz CNCOUFLAILIYHH-CQSZACIVSA-N 1 0 375.477 -1.043 20 0 GAADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000662342172 1073931923 /nfs/dbraw/zinc/93/19/23/1073931923.db2.gz YJZVQSNYXDUOQO-DLBZAZTESA-N 1 0 375.429 -1.130 20 0 GAADRO O=C(C(=O)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000662356300 1073931860 /nfs/dbraw/zinc/93/18/60/1073931860.db2.gz QPZCBOWCCCZJPX-CYBMUJFWSA-N 1 0 390.444 -1.370 20 0 GAADRO O=C(C(=O)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000662356306 1073931838 /nfs/dbraw/zinc/93/18/38/1073931838.db2.gz QPZCBOWCCCZJPX-ZDUSSCGKSA-N 1 0 390.444 -1.370 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)CC1 ZINC000662383492 1073931696 /nfs/dbraw/zinc/93/16/96/1073931696.db2.gz LSMHUEPWLHOJSX-UHFFFAOYSA-N 1 0 386.482 -2.513 20 0 GAADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000662383729 530178079 /nfs/dbraw/zinc/17/80/79/530178079.db2.gz MUHBXGJUHWPDLE-AWEZNQCLSA-N 1 0 377.511 -1.625 20 0 GAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000662400567 1073932490 /nfs/dbraw/zinc/93/24/90/1073932490.db2.gz AXXRKWXDSJDLEP-KBPBESRZSA-N 1 0 387.506 -1.428 20 0 GAADRO NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000662400571 1073932669 /nfs/dbraw/zinc/93/26/69/1073932669.db2.gz AXXRKWXDSJDLEP-KGLIPLIRSA-N 1 0 387.506 -1.428 20 0 GAADRO 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391.476 -1.027 20 0 GAADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000662949422 1073915957 /nfs/dbraw/zinc/91/59/57/1073915957.db2.gz VFLGEPACWWKWIY-CVEARBPZSA-N 1 0 395.504 -1.234 20 0 GAADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000662949423 1073915889 /nfs/dbraw/zinc/91/58/89/1073915889.db2.gz VFLGEPACWWKWIY-HOTGVXAUSA-N 1 0 395.504 -1.234 20 0 GAADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000662949424 1073916023 /nfs/dbraw/zinc/91/60/23/1073916023.db2.gz VFLGEPACWWKWIY-HZPDHXFCSA-N 1 0 395.504 -1.234 20 0 GAADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000662949425 1073916046 /nfs/dbraw/zinc/91/60/46/1073916046.db2.gz VFLGEPACWWKWIY-JKSUJKDBSA-N 1 0 395.504 -1.234 20 0 GAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)C1 ZINC000662949749 1073915404 /nfs/dbraw/zinc/91/54/04/1073915404.db2.gz DWHAHRFALAXKES-KBPBESRZSA-N 1 0 377.449 -1.560 20 0 GAADRO 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/nfs/dbraw/zinc/79/61/47/1074796147.db2.gz QGJLXPGGVNNGBI-MRXNPFEDSA-N 1 0 396.488 -1.078 20 0 GAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N1)C(=O)[C@H]1CCC(=O)N1 ZINC000672466467 1074797003 /nfs/dbraw/zinc/79/70/03/1074797003.db2.gz DOOJZWDPUYDCRD-CABCVRRESA-N 1 0 393.488 -1.074 20 0 GAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N1)C(=O)[C@@H]1CCC(=O)N1 ZINC000672466468 1074797097 /nfs/dbraw/zinc/79/70/97/1074797097.db2.gz DOOJZWDPUYDCRD-GJZGRUSLSA-N 1 0 393.488 -1.074 20 0 GAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N1)C(=O)[C@H]1CCC(=O)N1 ZINC000672466469 1074797184 /nfs/dbraw/zinc/79/71/84/1074797184.db2.gz DOOJZWDPUYDCRD-HUUCEWRRSA-N 1 0 393.488 -1.074 20 0 GAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N1)C(=O)[C@@H]1CCC(=O)N1 ZINC000672466470 1074797241 /nfs/dbraw/zinc/79/72/41/1074797241.db2.gz DOOJZWDPUYDCRD-LSDHHAIUSA-N 1 0 393.488 -1.074 20 0 GAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)C1(C(N)=O)CC1)C(=O)C1(C(N)=O)CC1 ZINC000672466508 1074797026 /nfs/dbraw/zinc/79/70/26/1074797026.db2.gz IPOSSEYGSOCXLM-UHFFFAOYSA-N 1 0 393.488 -1.100 20 0 GAADRO C[C@H](NC(N)=O)C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C)NC(N)=O ZINC000672466653 1074797111 /nfs/dbraw/zinc/79/71/11/1074797111.db2.gz ZNOFYROWJIFTGB-STQMWFEESA-N 1 0 399.496 -1.517 20 0 GAADRO CNC(=O)NCC(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)CNC(=O)NC ZINC000672466889 1074797089 /nfs/dbraw/zinc/79/70/89/1074797089.db2.gz JGOOOXTVQFRWAE-UHFFFAOYSA-N 1 0 399.496 -1.773 20 0 GAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)Cn1cncn1)C(=O)Cn1cncn1 ZINC000672467270 1074797042 /nfs/dbraw/zinc/79/70/42/1074797042.db2.gz YKXUJPKISCNTHI-UHFFFAOYSA-N 1 0 389.464 -1.047 20 0 GAADRO CN(CCN(CC[NH+]1CCCC1)C(=O)Cn1cnnn1)C(=O)Cn1cnnn1 ZINC000672467363 1074797163 /nfs/dbraw/zinc/79/71/63/1074797163.db2.gz KONVWIHPKVXLCU-UHFFFAOYSA-N 1 0 391.440 -2.257 20 0 GAADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000672596673 1074798520 /nfs/dbraw/zinc/79/85/20/1074798520.db2.gz QKIZQNBEJKRNGN-HNNXBMFYSA-N 1 0 375.477 -1.204 20 0 GAADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000672596676 1074798645 /nfs/dbraw/zinc/79/86/45/1074798645.db2.gz QKIZQNBEJKRNGN-OAHLLOKOSA-N 1 0 375.477 -1.204 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000672596773 1074798349 /nfs/dbraw/zinc/79/83/49/1074798349.db2.gz GIDNQYSPPVUFJK-CABCVRRESA-N 1 0 381.477 -1.802 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000672596774 1074798411 /nfs/dbraw/zinc/79/84/11/1074798411.db2.gz GIDNQYSPPVUFJK-GJZGRUSLSA-N 1 0 381.477 -1.802 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000672596775 1074798561 /nfs/dbraw/zinc/79/85/61/1074798561.db2.gz GIDNQYSPPVUFJK-HUUCEWRRSA-N 1 0 381.477 -1.802 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000672596776 1074798632 /nfs/dbraw/zinc/79/86/32/1074798632.db2.gz GIDNQYSPPVUFJK-LSDHHAIUSA-N 1 0 381.477 -1.802 20 0 GAADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638514 1074799143 /nfs/dbraw/zinc/79/91/43/1074799143.db2.gz RXIKWYDNTRTXAG-HNNXBMFYSA-N 1 0 395.504 -1.412 20 0 GAADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638517 1074799372 /nfs/dbraw/zinc/79/93/72/1074799372.db2.gz RXIKWYDNTRTXAG-OAHLLOKOSA-N 1 0 395.504 -1.412 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)CC1 ZINC000672641751 1074799847 /nfs/dbraw/zinc/79/98/47/1074799847.db2.gz XBAYNRPFWMCCAQ-DOTOQJQBSA-N 1 0 379.505 -1.186 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)CC1 ZINC000672641754 1074799613 /nfs/dbraw/zinc/79/96/13/1074799613.db2.gz XBAYNRPFWMCCAQ-NVXWUHKLSA-N 1 0 379.505 -1.186 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C2)CC1 ZINC000672641757 1074799763 /nfs/dbraw/zinc/79/97/63/1074799763.db2.gz XBAYNRPFWMCCAQ-RDJZCZTQSA-N 1 0 379.505 -1.186 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C2)CC1 ZINC000672641758 1074799880 /nfs/dbraw/zinc/79/98/80/1074799880.db2.gz XBAYNRPFWMCCAQ-WBVHZDCISA-N 1 0 379.505 -1.186 20 0 GAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642029 1074799057 /nfs/dbraw/zinc/79/90/57/1074799057.db2.gz WJYHBOGRYRFHMC-DZGCQCFKSA-N 1 0 381.477 -1.756 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642030 1074799119 /nfs/dbraw/zinc/79/91/19/1074799119.db2.gz WJYHBOGRYRFHMC-HIFRSBDPSA-N 1 0 381.477 -1.756 20 0 GAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642031 1074798787 /nfs/dbraw/zinc/79/87/87/1074798787.db2.gz WJYHBOGRYRFHMC-UKRRQHHQSA-N 1 0 381.477 -1.756 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642032 1074798829 /nfs/dbraw/zinc/79/88/29/1074798829.db2.gz WJYHBOGRYRFHMC-ZFWWWQNUSA-N 1 0 381.477 -1.756 20 0 GAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642516 1074799087 /nfs/dbraw/zinc/79/90/87/1074799087.db2.gz CBHBNOZINGQTNS-DOTOQJQBSA-N 1 0 395.504 -1.365 20 0 GAADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642519 1074799028 /nfs/dbraw/zinc/79/90/28/1074799028.db2.gz CBHBNOZINGQTNS-NVXWUHKLSA-N 1 0 395.504 -1.365 20 0 GAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642521 1074799248 /nfs/dbraw/zinc/79/92/48/1074799248.db2.gz CBHBNOZINGQTNS-RDJZCZTQSA-N 1 0 395.504 -1.365 20 0 GAADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642523 1074799170 /nfs/dbraw/zinc/79/91/70/1074799170.db2.gz CBHBNOZINGQTNS-WBVHZDCISA-N 1 0 395.504 -1.365 20 0 GAADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000672693308 1074799822 /nfs/dbraw/zinc/79/98/22/1074799822.db2.gz SBJZHWACUOLGIS-AWEZNQCLSA-N 1 0 392.464 -1.666 20 0 GAADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000672693309 1074799726 /nfs/dbraw/zinc/79/97/26/1074799726.db2.gz SBJZHWACUOLGIS-CQSZACIVSA-N 1 0 392.464 -1.666 20 0 GAADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000672697207 1074799678 /nfs/dbraw/zinc/79/96/78/1074799678.db2.gz WQIMLFZSYSZJRY-AWEZNQCLSA-N 1 0 393.488 -1.074 20 0 GAADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000672697212 1074799706 /nfs/dbraw/zinc/79/97/06/1074799706.db2.gz WQIMLFZSYSZJRY-CQSZACIVSA-N 1 0 393.488 -1.074 20 0 GAADRO CC1(C)CN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1CCO ZINC000672803267 1074800939 /nfs/dbraw/zinc/80/09/39/1074800939.db2.gz KATRMWFIIVNWSV-UHFFFAOYSA-N 1 0 391.538 -1.338 20 0 GAADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000672803343 1074800923 /nfs/dbraw/zinc/80/09/23/1074800923.db2.gz QOMGJNUBXMCNFI-CABCVRRESA-N 1 0 391.538 -1.340 20 0 GAADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000672803344 1074800996 /nfs/dbraw/zinc/80/09/96/1074800996.db2.gz QOMGJNUBXMCNFI-GJZGRUSLSA-N 1 0 391.538 -1.340 20 0 GAADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000672803345 1074801422 /nfs/dbraw/zinc/80/14/22/1074801422.db2.gz QOMGJNUBXMCNFI-HUUCEWRRSA-N 1 0 391.538 -1.340 20 0 GAADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000672803346 1074801396 /nfs/dbraw/zinc/80/13/96/1074801396.db2.gz QOMGJNUBXMCNFI-LSDHHAIUSA-N 1 0 391.538 -1.340 20 0 GAADRO C[NH+](C)C1(CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCC1 ZINC000672979601 1074803667 /nfs/dbraw/zinc/80/36/67/1074803667.db2.gz MYTHJAAZODZTGH-UHFFFAOYSA-N 1 0 389.522 -1.720 20 0 GAADRO CCC[N@H+](CC)CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000673336931 1074814241 /nfs/dbraw/zinc/81/42/41/1074814241.db2.gz OJACJWZXTLMREY-UHFFFAOYSA-N 1 0 391.538 -1.472 20 0 GAADRO CC[C@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000673338411 1074814521 /nfs/dbraw/zinc/81/45/21/1074814521.db2.gz BBTRVOLOZDHLOO-INIZCTEOSA-N 1 0 397.520 -1.164 20 0 GAADRO CC[C@@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000673338412 1074814677 /nfs/dbraw/zinc/81/46/77/1074814677.db2.gz BBTRVOLOZDHLOO-MRXNPFEDSA-N 1 0 397.520 -1.164 20 0 GAADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000673351973 530093413 /nfs/dbraw/zinc/09/34/13/530093413.db2.gz ARYUDRVTBVVYQO-CYBMUJFWSA-N 1 0 378.495 -1.391 20 0 GAADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000673351974 530093809 /nfs/dbraw/zinc/09/38/09/530093809.db2.gz ARYUDRVTBVVYQO-ZDUSSCGKSA-N 1 0 378.495 -1.391 20 0 GAADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000673352046 1074815120 /nfs/dbraw/zinc/81/51/20/1074815120.db2.gz OCSGHJKLOCBNBW-UHFFFAOYSA-N 1 0 383.493 -1.553 20 0 GAADRO CCn1ncnc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000673405219 1074817135 /nfs/dbraw/zinc/81/71/35/1074817135.db2.gz 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1073896678 /nfs/dbraw/zinc/89/66/78/1073896678.db2.gz LFTKYKRPMFDLJS-UZYOAWRESA-N 1 0 377.445 -1.057 20 0 GAADRO CCOC(=O)C(=O)N1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000843489337 637452645 /nfs/dbraw/zinc/45/26/45/637452645.db2.gz CDQXPZRMAHFYAK-UHFFFAOYSA-N 1 0 375.447 -1.613 20 0 GAADRO COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(CC[NH+](C)C)C(=O)C2)C1=O ZINC000844719153 1075055313 /nfs/dbraw/zinc/05/53/13/1075055313.db2.gz JHJRFFOKKICAMZ-KRWDZBQOSA-N 1 0 383.449 -1.087 20 0 GAADRO COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(CC[NH+](C)C)C(=O)C2)C1=O ZINC000844719155 1075055359 /nfs/dbraw/zinc/05/53/59/1075055359.db2.gz JHJRFFOKKICAMZ-QGZVFWFLSA-N 1 0 383.449 -1.087 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1=O ZINC000844761135 1075055277 /nfs/dbraw/zinc/05/52/77/1075055277.db2.gz CIFCHNOGKBGSGC-UHFFFAOYSA-N 1 0 381.458 -1.284 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1=O ZINC000844761365 1075055335 /nfs/dbraw/zinc/05/53/35/1075055335.db2.gz IXDMWYITBLVHKD-UHFFFAOYSA-N 1 0 381.458 -1.284 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1=O ZINC000844935405 1075055688 /nfs/dbraw/zinc/05/56/88/1075055688.db2.gz JNJDGGNOMAIURZ-UHFFFAOYSA-N 1 0 391.494 -1.936 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC000845185402 1075056847 /nfs/dbraw/zinc/05/68/47/1075056847.db2.gz DUHFHDZQVYRDQQ-ZDUSSCGKSA-N 1 0 381.408 -1.456 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2(S(N)(=O)=O)CC2)C1 ZINC000845207353 637454271 /nfs/dbraw/zinc/45/42/71/637454271.db2.gz YPICPLIEJLRKSR-GFCCVEGCSA-N 1 0 377.463 -1.176 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2(S(N)(=O)=O)CC2)C1 ZINC000845207354 637454350 /nfs/dbraw/zinc/45/43/50/637454350.db2.gz YPICPLIEJLRKSR-LBPRGKRZSA-N 1 0 377.463 -1.176 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)NCCS(=O)(=O)C2CCOCC2)CC1=O ZINC000845235868 1075057371 /nfs/dbraw/zinc/05/73/71/1075057371.db2.gz KAMGPDYFZJHOPM-UHFFFAOYSA-N 1 0 390.506 -1.004 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000845369710 637455177 /nfs/dbraw/zinc/45/51/77/637455177.db2.gz SUZNLWOXCMJNNF-CHWSQXEVSA-N 1 0 377.463 -1.306 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000845369711 637455094 /nfs/dbraw/zinc/45/50/94/637455094.db2.gz SUZNLWOXCMJNNF-OLZOCXBDSA-N 1 0 377.463 -1.306 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000845369712 637455033 /nfs/dbraw/zinc/45/50/33/637455033.db2.gz SUZNLWOXCMJNNF-QWHCGFSZSA-N 1 0 377.463 -1.306 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000845369713 637455136 /nfs/dbraw/zinc/45/51/36/637455136.db2.gz SUZNLWOXCMJNNF-STQMWFEESA-N 1 0 377.463 -1.306 20 0 GAADRO C[NH+](C)CCN1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1=O ZINC000845968443 637456652 /nfs/dbraw/zinc/45/66/52/637456652.db2.gz IDDJXGIQQWCHQR-UHFFFAOYSA-N 1 0 376.479 -1.224 20 0 GAADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000845969078 1075060128 /nfs/dbraw/zinc/06/01/28/1075060128.db2.gz LPNUJAPZNWYJPY-UHFFFAOYSA-N 1 0 391.494 -1.289 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1=O ZINC000846054400 1075060396 /nfs/dbraw/zinc/06/03/96/1075060396.db2.gz AORKSEXDGPFDPG-UHFFFAOYSA-N 1 0 386.416 -1.167 20 0 GAADRO CCOC(=O)N1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000846239202 1075060729 /nfs/dbraw/zinc/06/07/29/1075060729.db2.gz QBGHGCUMSTXGPB-UHFFFAOYSA-N 1 0 383.449 -1.481 20 0 GAADRO CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000846243759 1075060799 /nfs/dbraw/zinc/06/07/99/1075060799.db2.gz PKJLHHDISZPYMU-AWEZNQCLSA-N 1 0 397.476 -1.044 20 0 GAADRO CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000846243760 1075060636 /nfs/dbraw/zinc/06/06/36/1075060636.db2.gz PKJLHHDISZPYMU-CQSZACIVSA-N 1 0 397.476 -1.044 20 0 GAADRO CCOC(=O)N1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000846250105 1075060769 /nfs/dbraw/zinc/06/07/69/1075060769.db2.gz JQULKIGAYBYBPE-UHFFFAOYSA-N 1 0 397.476 -1.090 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCC[C@H]2C2OCCO2)CC1=O ZINC000846251807 1075060781 /nfs/dbraw/zinc/06/07/81/1075060781.db2.gz JZPLQVQCEXBHGG-AWEZNQCLSA-N 1 0 382.461 -1.027 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2C2OCCO2)CC1=O ZINC000846251808 1075060667 /nfs/dbraw/zinc/06/06/67/1075060667.db2.gz JZPLQVQCEXBHGG-CQSZACIVSA-N 1 0 382.461 -1.027 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(C3OCCO3)CC2)CC1=O ZINC000846252702 1075060756 /nfs/dbraw/zinc/06/07/56/1075060756.db2.gz UKWUDXXYDFUNHV-UHFFFAOYSA-N 1 0 382.461 -1.170 20 0 GAADRO CN(Cc1nnc2ccccn21)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846252854 1075060716 /nfs/dbraw/zinc/06/07/16/1075060716.db2.gz FTMGKSMTWOITQT-UHFFFAOYSA-N 1 0 387.444 -1.080 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)CC1=O ZINC000846253055 1075060790 /nfs/dbraw/zinc/06/07/90/1075060790.db2.gz YINYNFUACVSHLR-AWEZNQCLSA-N 1 0 382.461 -1.170 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)CC1=O ZINC000846253056 1075060820 /nfs/dbraw/zinc/06/08/20/1075060820.db2.gz YINYNFUACVSHLR-CQSZACIVSA-N 1 0 382.461 -1.170 20 0 GAADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000846255556 1075060685 /nfs/dbraw/zinc/06/06/85/1075060685.db2.gz DZHVNHMNOMNMRJ-GFCCVEGCSA-N 1 0 385.465 -1.013 20 0 GAADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000846255557 1075060815 /nfs/dbraw/zinc/06/08/15/1075060815.db2.gz DZHVNHMNOMNMRJ-LBPRGKRZSA-N 1 0 385.465 -1.013 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC[N@H+](C)C1 ZINC000846255804 1075060654 /nfs/dbraw/zinc/06/06/54/1075060654.db2.gz GQBLMWVDHBZZGS-AAEUAGOBSA-N 1 0 382.392 -1.125 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC[N@H+](C)C1 ZINC000846255806 1075060703 /nfs/dbraw/zinc/06/07/03/1075060703.db2.gz GQBLMWVDHBZZGS-YPMHNXCESA-N 1 0 382.392 -1.125 20 0 GAADRO CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846265375 1075060746 /nfs/dbraw/zinc/06/07/46/1075060746.db2.gz HUOYWTKRBDXNJY-UHFFFAOYSA-N 1 0 390.506 -1.500 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)CC1=O ZINC000846270360 1075061125 /nfs/dbraw/zinc/06/11/25/1075061125.db2.gz GOSATFJYFSUFLD-UHFFFAOYSA-N 1 0 388.490 -1.746 20 0 GAADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846272039 637457181 /nfs/dbraw/zinc/45/71/81/637457181.db2.gz YGVVXTMVJJWHKM-UHFFFAOYSA-N 1 0 376.479 -1.888 20 0 GAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000846278221 1075061064 /nfs/dbraw/zinc/06/10/64/1075061064.db2.gz PLGUYYCQFLYVTQ-AAEUAGOBSA-N 1 0 381.408 -1.110 20 0 GAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000846278222 1075061136 /nfs/dbraw/zinc/06/11/36/1075061136.db2.gz PLGUYYCQFLYVTQ-YPMHNXCESA-N 1 0 381.408 -1.110 20 0 GAADRO COCCN1[C@H](C)CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1C ZINC000846278394 1075061071 /nfs/dbraw/zinc/06/10/71/1075061071.db2.gz SEICLYDOPWVLKT-IYBDPMFKSA-N 1 0 397.520 -1.214 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC1=O ZINC000846280144 1075061050 /nfs/dbraw/zinc/06/10/50/1075061050.db2.gz CBEJYYOZZLBHME-OLZOCXBDSA-N 1 0 381.433 -1.824 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC3(CC2)OCCCO3)CC1=O ZINC000846284300 1075061041 /nfs/dbraw/zinc/06/10/41/1075061041.db2.gz RPEWJQPRAXFTQB-UHFFFAOYSA-N 1 0 382.461 -1.026 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)C[C@H]1C[NH3+] ZINC000846355570 1075061418 /nfs/dbraw/zinc/06/14/18/1075061418.db2.gz WWCKADCAHDWDAY-KYZVSKTDSA-N 1 0 383.445 -1.153 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1=O ZINC000846357109 1075061443 /nfs/dbraw/zinc/06/14/43/1075061443.db2.gz PCTYWGJNJYKPDR-UHFFFAOYSA-N 1 0 385.465 -1.140 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1=O ZINC000846358583 1075061425 /nfs/dbraw/zinc/06/14/25/1075061425.db2.gz YIPOXOFFTPDADY-HNNXBMFYSA-N 1 0 381.458 -1.051 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1=O ZINC000846358587 1075061400 /nfs/dbraw/zinc/06/14/00/1075061400.db2.gz YIPOXOFFTPDADY-OAHLLOKOSA-N 1 0 381.458 -1.051 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1=O ZINC000846361143 1075061340 /nfs/dbraw/zinc/06/13/40/1075061340.db2.gz CGVNETSPCIUJDR-ZDUSSCGKSA-N 1 0 381.408 -1.456 20 0 GAADRO CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000846724488 1075076957 /nfs/dbraw/zinc/07/69/57/1075076957.db2.gz SIRRMALSCPVQKS-UHFFFAOYSA-N 1 0 397.476 -1.044 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1=O ZINC000846724732 1075076931 /nfs/dbraw/zinc/07/69/31/1075076931.db2.gz VDZZENIBDVYHNN-UHFFFAOYSA-N 1 0 385.465 -1.140 20 0 GAADRO COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000846726438 1075076822 /nfs/dbraw/zinc/07/68/22/1075076822.db2.gz DZCHQNKSARIWBC-CYBMUJFWSA-N 1 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387.550 -1.135 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903723140 1073450008 /nfs/dbraw/zinc/45/00/08/1073450008.db2.gz UVYPTXLLUBDYBV-IRXDYDNUSA-N 1 0 387.550 -1.135 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903723303 1073450070 /nfs/dbraw/zinc/45/00/70/1073450070.db2.gz UVYPTXLLUBDYBV-SJORKVTESA-N 1 0 387.550 -1.135 20 0 GAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903776202 1073450917 /nfs/dbraw/zinc/45/09/17/1073450917.db2.gz OCIRTCKBTLZDRE-IJLUTSLNSA-N 1 0 382.383 -1.514 20 0 GAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903776211 1073450900 /nfs/dbraw/zinc/45/09/00/1073450900.db2.gz OCIRTCKBTLZDRE-QJPTWQEYSA-N 1 0 382.383 -1.514 20 0 GAADRO C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903778413 1073450741 /nfs/dbraw/zinc/45/07/41/1073450741.db2.gz NKGKFTIPQBQVNP-RYQLBKOJSA-N 1 0 393.532 -1.061 20 0 GAADRO 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386.518 -1.243 20 0 GAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000911054708 1074483739 /nfs/dbraw/zinc/48/37/39/1074483739.db2.gz WYGVUQXAMXZNNW-HNNXBMFYSA-N 1 0 377.445 -1.019 20 0 GAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000911054709 1074483634 /nfs/dbraw/zinc/48/36/34/1074483634.db2.gz WYGVUQXAMXZNNW-OAHLLOKOSA-N 1 0 377.445 -1.019 20 0 GAADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000911067060 1074485081 /nfs/dbraw/zinc/48/50/81/1074485081.db2.gz MMOYIOCDIOWKRW-CABCVRRESA-N 1 0 386.518 -1.180 20 0 GAADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC000911090657 1074485616 /nfs/dbraw/zinc/48/56/16/1074485616.db2.gz DTIHXNBBDKJQJQ-KFWWJZLASA-N 1 0 386.518 -1.180 20 0 GAADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC000911090658 1074485632 /nfs/dbraw/zinc/48/56/32/1074485632.db2.gz DTIHXNBBDKJQJQ-ZNMIVQPWSA-N 1 0 386.518 -1.180 20 0 GAADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000911112132 1074485721 /nfs/dbraw/zinc/48/57/21/1074485721.db2.gz IJTUQFCLMMSKPX-HNNXBMFYSA-N 1 0 377.445 -1.019 20 0 GAADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000911112133 1074485666 /nfs/dbraw/zinc/48/56/66/1074485666.db2.gz IJTUQFCLMMSKPX-OAHLLOKOSA-N 1 0 377.445 -1.019 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)S(C)(=O)=O ZINC000911114646 1074485628 /nfs/dbraw/zinc/48/56/28/1074485628.db2.gz QYESERWHTMHLSQ-AEGPPILISA-N 1 0 386.518 -1.037 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)S(C)(=O)=O ZINC000911114647 1074485609 /nfs/dbraw/zinc/48/56/09/1074485609.db2.gz QYESERWHTMHLSQ-YUELXQCFSA-N 1 0 386.518 -1.037 20 0 GAADRO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000911115978 1074485509 /nfs/dbraw/zinc/48/55/09/1074485509.db2.gz SSOYGLHXAPQKGD-CABCVRRESA-N 1 0 386.518 -1.036 20 0 GAADRO 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/nfs/dbraw/zinc/48/62/48/1074486248.db2.gz XOCDYQATWJSKHQ-GHMZBOCLSA-N 1 0 379.383 -1.385 20 0 GAADRO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911187054 1074486127 /nfs/dbraw/zinc/48/61/27/1074486127.db2.gz BGGCYCADWSUNED-UHFFFAOYSA-N 1 0 388.516 -1.054 20 0 GAADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000911187191 1074486153 /nfs/dbraw/zinc/48/61/53/1074486153.db2.gz NFAOXAGFGGVPKK-CVSAEHQPSA-N 1 0 386.518 -1.180 20 0 GAADRO CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911207112 1074486099 /nfs/dbraw/zinc/48/60/99/1074486099.db2.gz KNAYWBQOOKQFHU-GASCZTMLSA-N 1 0 386.518 -1.036 20 0 GAADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000911218910 1074486219 /nfs/dbraw/zinc/48/62/19/1074486219.db2.gz MEFARJNJMQBLHK-CVEARBPZSA-N 1 0 394.497 -1.038 20 0 GAADRO CC(C)(CNC(=O)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21)C[NH+]1CCCC1 ZINC000911231099 1074486857 /nfs/dbraw/zinc/48/68/57/1074486857.db2.gz SWECQPHERAMXJG-KGLIPLIRSA-N 1 0 386.518 -1.178 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911235439 637360132 /nfs/dbraw/zinc/36/01/32/637360132.db2.gz DUTWCNLNGQLXDE-HNNXBMFYSA-N 1 0 390.531 -1.164 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911235440 637359927 /nfs/dbraw/zinc/35/99/27/637359927.db2.gz DUTWCNLNGQLXDE-OAHLLOKOSA-N 1 0 390.531 -1.164 20 0 GAADRO C[NH2+]CCN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C(C)C ZINC000911235450 637360021 /nfs/dbraw/zinc/36/00/21/637360021.db2.gz DXLOBYDNQOVIKG-UHFFFAOYSA-N 1 0 380.536 -1.062 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911237421 637360211 /nfs/dbraw/zinc/36/02/11/637360211.db2.gz XDOAEOVNSJJAJI-QWHCGFSZSA-N 1 0 390.531 -1.451 20 0 GAADRO O=C(NC[C@H]1CCCCN1C1CC1)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000911238521 1074486207 /nfs/dbraw/zinc/48/62/07/1074486207.db2.gz QLZGYPXDUHPKNJ-KFWWJZLASA-N 1 0 384.502 -1.283 20 0 GAADRO O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000911238522 1074486108 /nfs/dbraw/zinc/48/61/08/1074486108.db2.gz QLZGYPXDUHPKNJ-ZNMIVQPWSA-N 1 0 384.502 -1.283 20 0 GAADRO C[C@H](CCNC(=O)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21)[NH+]1CCCCC1 ZINC000911242850 1074486200 /nfs/dbraw/zinc/48/62/00/1074486200.db2.gz JXSJDMKBTAAKDO-KFWWJZLASA-N 1 0 386.518 -1.036 20 0 GAADRO C[C@@H](CCNC(=O)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21)[NH+]1CCCCC1 ZINC000911242851 1074486074 /nfs/dbraw/zinc/48/60/74/1074486074.db2.gz JXSJDMKBTAAKDO-ZNMIVQPWSA-N 1 0 386.518 -1.036 20 0 GAADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCNCC[NH2+]CC3)C2)n(C)n1 ZINC000911257093 1074487516 /nfs/dbraw/zinc/48/75/16/1074487516.db2.gz DFDOKTJZCPWBJN-HNNXBMFYSA-N 1 0 377.493 -1.165 20 0 GAADRO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCNCC[NH2+]CC3)C2)n(C)n1 ZINC000911257094 1074487413 /nfs/dbraw/zinc/48/74/13/1074487413.db2.gz DFDOKTJZCPWBJN-OAHLLOKOSA-N 1 0 377.493 -1.165 20 0 GAADRO 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389.460 -1.248 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC000990960418 1074432687 /nfs/dbraw/zinc/43/26/87/1074432687.db2.gz HXLCMVJGAYMHKY-RQJABVFESA-N 1 0 387.444 -1.637 20 0 GAADRO C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC000990960464 1074433411 /nfs/dbraw/zinc/43/34/11/1074433411.db2.gz IQEBIMXLHVPBID-BARDWOONSA-N 1 0 389.460 -1.391 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC000990960784 1074433402 /nfs/dbraw/zinc/43/34/02/1074433402.db2.gz NPWDBIQWROVHQK-RQJABVFESA-N 1 0 375.433 -1.637 20 0 GAADRO C[N@H+](CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1)C1CCC1 ZINC000990961065 1074433977 /nfs/dbraw/zinc/43/39/77/1074433977.db2.gz SCJMDJIADZYIBV-BARDWOONSA-N 1 0 389.460 -1.248 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)Cn3cncn3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC000990965422 1074436487 /nfs/dbraw/zinc/43/64/87/1074436487.db2.gz 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ZINC000995444719 1074718445 /nfs/dbraw/zinc/71/84/45/1074718445.db2.gz QUWYWSCNBGGZAL-LOWDOPEQSA-N 1 0 386.474 -1.962 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)CC[N@@H+]1C ZINC000995456370 1074720775 /nfs/dbraw/zinc/72/07/75/1074720775.db2.gz QUWYWSCNBGGZAL-QNWHQSFQSA-N 1 0 386.474 -1.962 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1 ZINC000995929339 1074734012 /nfs/dbraw/zinc/73/40/12/1074734012.db2.gz JVZOFHLOSQXMRO-UVLXDEKHSA-N 1 0 375.433 -1.281 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1 ZINC000995929362 1074733964 /nfs/dbraw/zinc/73/39/64/1074733964.db2.gz JVZOFHLOSQXMRO-XWUBHJNHSA-N 1 0 375.433 -1.281 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnc(C(N)=O)n1 ZINC000995930018 1074734078 /nfs/dbraw/zinc/73/40/78/1074734078.db2.gz MABHSYLLRQSCST-MROQNXINSA-N 1 0 375.433 -1.281 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnc(C(N)=O)n1 ZINC000995930020 1074734028 /nfs/dbraw/zinc/73/40/28/1074734028.db2.gz MABHSYLLRQSCST-VOAKCMCISA-N 1 0 375.433 -1.281 20 0 GAADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC(=O)NC(=O)N1 ZINC000996438518 1074741419 /nfs/dbraw/zinc/74/14/19/1074741419.db2.gz NNFLLRRPZPJCBZ-VOAKCMCISA-N 1 0 375.429 -1.072 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000996543620 1074741957 /nfs/dbraw/zinc/74/19/57/1074741957.db2.gz COLSTQRFNGGDAD-NMKXLXIOSA-N 1 0 375.433 -1.423 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000996543622 1074742488 /nfs/dbraw/zinc/74/24/88/1074742488.db2.gz COLSTQRFNGGDAD-OPDFLTKYSA-N 1 0 375.433 -1.423 20 0 GAADRO CN1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC1=O ZINC000996547486 1074742423 /nfs/dbraw/zinc/74/24/23/1074742423.db2.gz ZYZBJOQODKHKQN-FZKCQIBNSA-N 1 0 377.489 -1.040 20 0 GAADRO CN1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CC1=O ZINC000996547492 1074742301 /nfs/dbraw/zinc/74/23/01/1074742301.db2.gz ZYZBJOQODKHKQN-WCVJEAGWSA-N 1 0 377.489 -1.040 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000996550918 1074741908 /nfs/dbraw/zinc/74/19/08/1074741908.db2.gz XOMURGWFBSUZQP-NDBYEHHHSA-N 1 0 375.433 -1.423 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000996550919 1074742053 /nfs/dbraw/zinc/74/20/53/1074742053.db2.gz XOMURGWFBSUZQP-RNJOBUHISA-N 1 0 375.433 -1.423 20 0 GAADRO NC(=O)c1ncn(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)n1 ZINC000996567471 1074742752 /nfs/dbraw/zinc/74/27/52/1074742752.db2.gz ICMUOENHPRKVRX-AGIUHOORSA-N 1 0 375.433 -1.279 20 0 GAADRO NC(=O)Cn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)nn1 ZINC000996567933 1074742776 /nfs/dbraw/zinc/74/27/76/1074742776.db2.gz PNUDIIKTSGOEKF-DYEKYZERSA-N 1 0 375.433 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BYJYVCQEAONHTJ-VOAKCMCISA-N 1 0 375.433 -1.281 20 0 GAADRO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2)[NH+](C)C ZINC000997027561 1074750053 /nfs/dbraw/zinc/75/00/53/1074750053.db2.gz CEHVQEHOBFTJKZ-VOAKCMCISA-N 1 0 377.449 -1.035 20 0 GAADRO CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2)[NH+](C)C ZINC000997027562 1074749834 /nfs/dbraw/zinc/74/98/34/1074749834.db2.gz CEHVQEHOBFTJKZ-XQHKEYJVSA-N 1 0 377.449 -1.035 20 0 GAADRO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)n1 ZINC000997027580 1074749818 /nfs/dbraw/zinc/74/98/18/1074749818.db2.gz DCSKPFMLZFUECL-AGIUHOORSA-N 1 0 375.433 -1.279 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C3)CC[N@@H+]1C ZINC000997030217 1074750341 /nfs/dbraw/zinc/75/03/41/1074750341.db2.gz SPVDVENKSFIGKJ-POQQGIQPSA-N 1 0 389.460 -1.035 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C3)C1 ZINC000997031033 1074750360 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381.433 -2.044 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2O)CC[N@@H+]1C ZINC001023980427 1073673059 /nfs/dbraw/zinc/67/30/59/1073673059.db2.gz NCDLWHUYENPGHM-IGHBBLSQSA-N 1 0 393.444 -1.482 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001023980552 1073672935 /nfs/dbraw/zinc/67/29/35/1073672935.db2.gz UJTKEELKTRFYJO-REWJHTLYSA-N 1 0 380.445 -1.446 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2O)CC[N@@H+]1C ZINC001023980566 1073672965 /nfs/dbraw/zinc/67/29/65/1073672965.db2.gz VHLGJJNKJAZOSC-UMSGYPCISA-N 1 0 390.444 -1.393 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023980663 1073672959 /nfs/dbraw/zinc/67/29/59/1073672959.db2.gz YNKZINGDCGLUDG-ZGKBOVNRSA-N 1 0 377.445 -1.188 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccnc3C(N)=O)C2)CC[N@@H+]1C ZINC001024011660 1073674211 /nfs/dbraw/zinc/67/42/11/1073674211.db2.gz 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/nfs/dbraw/zinc/48/13/37/1073481337.db2.gz QHWMIKAXICXFMD-REBRKWNGSA-N 1 0 393.488 -1.281 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001055646568 1073481394 /nfs/dbraw/zinc/48/13/94/1073481394.db2.gz WSSAXIWEUALBCV-OSRDXIQISA-N 1 0 393.488 -1.294 20 0 GAADRO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001055652593 1073481435 /nfs/dbraw/zinc/48/14/35/1073481435.db2.gz FEVPUGJZUBHAFP-KBXIAJHMSA-N 1 0 379.461 -1.068 20 0 GAADRO O=C(NCC[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001055652594 1073481234 /nfs/dbraw/zinc/48/12/34/1073481234.db2.gz FEVPUGJZUBHAFP-TUVASFSCSA-N 1 0 379.461 -1.068 20 0 GAADRO O=C(Cn1ncnn1)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001055652620 1073482205 /nfs/dbraw/zinc/48/22/05/1073482205.db2.gz GQHZEXISWNULFH-KFWWJZLASA-N 1 0 377.449 -1.063 20 0 GAADRO O=C(Cn1cnnn1)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001055652688 1073482078 /nfs/dbraw/zinc/48/20/78/1073482078.db2.gz JNRKZUOPUGAQOG-KFWWJZLASA-N 1 0 377.449 -1.063 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1C ZINC001057746319 1073503129 /nfs/dbraw/zinc/50/31/29/1073503129.db2.gz RSBQPNSJEBHZDX-LJISPDSOSA-N 1 0 384.477 -1.313 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1C ZINC001058842512 1073937656 /nfs/dbraw/zinc/93/76/56/1073937656.db2.gz JYSVTXOUZDNWCW-LJISPDSOSA-N 1 0 384.477 -1.313 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930591 1073521100 /nfs/dbraw/zinc/52/11/00/1073521100.db2.gz SIBGMPWKOBEMNF-FPCVCCKLSA-N 1 0 390.492 -1.015 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930674 1073520989 /nfs/dbraw/zinc/52/09/89/1073520989.db2.gz XEENXJHQBAEZMQ-SYQHCUMBSA-N 1 0 389.464 -1.418 20 0 GAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)O1 ZINC001070025688 1073523450 /nfs/dbraw/zinc/52/34/50/1073523450.db2.gz DVKJLOABWAOSDI-BARDWOONSA-N 1 0 380.449 -1.362 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001070026487 1073523785 /nfs/dbraw/zinc/52/37/85/1073523785.db2.gz AJUKAYCSYIRCIP-BARDWOONSA-N 1 0 389.460 -1.247 20 0 GAADRO Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](n3ccnn3)C2)cc1=O ZINC001070027359 1073525317 /nfs/dbraw/zinc/52/53/17/1073525317.db2.gz AXZRWTQGNKIROR-BARDWOONSA-N 1 0 385.428 -1.360 20 0 GAADRO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070196052 1073530837 /nfs/dbraw/zinc/53/08/37/1073530837.db2.gz IIXCWFCDXVIPCV-TUVASFSCSA-N 1 0 389.460 -1.233 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3nc(=O)n(C)[nH]3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070196774 1073531168 /nfs/dbraw/zinc/53/11/68/1073531168.db2.gz KWBCSSSLJSHNRP-SYQHCUMBSA-N 1 0 389.464 -1.418 20 0 GAADRO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]CCn3cncn3)[C@@H](n3ccnn3)C2)C1 ZINC001070197030 1073531145 /nfs/dbraw/zinc/53/11/45/1073531145.db2.gz PLKBYMVWGRUAKL-TUVASFSCSA-N 1 0 387.448 -1.174 20 0 GAADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1)N1CCOCC1 ZINC001070199022 1073530900 /nfs/dbraw/zinc/53/09/00/1073530900.db2.gz BOKPUCNRNZJFFM-KRXQYRFLSA-N 1 0 390.444 -1.485 20 0 GAADRO O=C(N1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1)[C@]12C[C@H]1COC2 ZINC001070199051 1073531228 /nfs/dbraw/zinc/53/12/28/1073531228.db2.gz DMCCVAYYXPWVBC-LKQDWFRTSA-N 1 0 389.416 -1.792 20 0 GAADRO O=C(N1C[C@@H]([NH2+]CCN2CCNC2=O)[C@@H](n2ccnn2)C1)[C@]12C[C@H]1COC2 ZINC001070199107 1073530871 /nfs/dbraw/zinc/53/08/71/1073530871.db2.gz HDTAZSRLKIQELK-LOUJCGABSA-N 1 0 375.433 -1.319 20 0 GAADRO O=C(N1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1)[C@]12C[C@H]1COC2 ZINC001070199382 1073531345 /nfs/dbraw/zinc/53/13/45/1073531345.db2.gz WLZVONXAHMSTNL-AHXJXLJNSA-N 1 0 388.428 -1.195 20 0 GAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001070211553 1073531741 /nfs/dbraw/zinc/53/17/41/1073531741.db2.gz NLVVCDVMLQMWSI-FQLMCAECSA-N 1 0 378.433 -1.344 20 0 GAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070211567 1073532122 /nfs/dbraw/zinc/53/21/22/1073532122.db2.gz OWHBGJVJBFLSQL-XGUBFFRZSA-N 1 0 393.448 -1.551 20 0 GAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070211569 1073532098 /nfs/dbraw/zinc/53/20/98/1073532098.db2.gz OWUCALBUGFWLKX-XGUBFFRZSA-N 1 0 376.421 -1.285 20 0 GAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCn3cncn3)[C@@H](n3ccnn3)C2)O1 ZINC001070217530 1073531689 /nfs/dbraw/zinc/53/16/89/1073531689.db2.gz HGZOFMQYBOUXKN-LVQVYYBASA-N 1 0 389.464 -1.370 20 0 GAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001070217553 1073531778 /nfs/dbraw/zinc/53/17/78/1073531778.db2.gz HZMZMXSZTGLWNA-LVQVYYBASA-N 1 0 391.476 -1.429 20 0 GAADRO O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070218496 1073532707 /nfs/dbraw/zinc/53/27/07/1073532707.db2.gz KCHISRVKMLJMSU-KXNHARMFSA-N 1 0 379.339 -1.042 20 0 GAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070218728 1073532537 /nfs/dbraw/zinc/53/25/37/1073532537.db2.gz QFKBBBNAXKOBNZ-DMWPJOQESA-N 1 0 392.338 -1.549 20 0 GAADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070236871 1073532605 /nfs/dbraw/zinc/53/26/05/1073532605.db2.gz OFZWJLMQAHCOBA-NDBYEHHHSA-N 1 0 379.421 -2.082 20 0 GAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)O1 ZINC001070272223 1073533414 /nfs/dbraw/zinc/53/34/14/1073533414.db2.gz CAQTZVGVKHKFRX-MROQNXINSA-N 1 0 379.421 -2.259 20 0 GAADRO O=C([C@H]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)O1)N1CCCC1 ZINC001070272238 1073533562 /nfs/dbraw/zinc/53/35/62/1073533562.db2.gz CPOZUGJKOZIMMO-QXSJWSMHSA-N 1 0 392.460 -1.218 20 0 GAADRO Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2n2ccnn2)cn1 ZINC001070273708 1073533335 /nfs/dbraw/zinc/53/33/35/1073533335.db2.gz CDTGEBGWJHELHE-CBBWQLFWSA-N 1 0 388.432 -1.414 20 0 GAADRO Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070273765 1073533488 /nfs/dbraw/zinc/53/34/88/1073533488.db2.gz FPEZHBBDLUQTNV-CBBWQLFWSA-N 1 0 388.432 -1.414 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCn3cncn3)[C@@H](n3ccnn3)C2)O1 ZINC001070273974 1073533263 /nfs/dbraw/zinc/53/32/63/1073533263.db2.gz MRDNKWLYOIGPCM-ZOBORPQBSA-N 1 0 389.420 -2.056 20 0 GAADRO Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070274063 1073533358 /nfs/dbraw/zinc/53/33/58/1073533358.db2.gz PSQHMGFHQRILHA-CBBWQLFWSA-N 1 0 388.432 -1.414 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001070274105 1073533546 /nfs/dbraw/zinc/53/35/46/1073533546.db2.gz RWLIXFOAEKTYOG-ZOBORPQBSA-N 1 0 391.432 -2.115 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCn3cccn3)[C@@H](n3ccnn3)C2)O1 ZINC001070274115 1073534056 /nfs/dbraw/zinc/53/40/56/1073534056.db2.gz SEGIAGRHPRVRFK-CBBWQLFWSA-N 1 0 388.432 -1.451 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070275216 1073533887 /nfs/dbraw/zinc/53/38/87/1073533887.db2.gz AHPVPYWQSKKJMH-RQJABVFESA-N 1 0 375.433 -1.637 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070275271 1073533858 /nfs/dbraw/zinc/53/38/58/1073533858.db2.gz DGJHCMMLLGAVEY-KXNHARMFSA-N 1 0 390.404 -2.707 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070275290 1073534034 /nfs/dbraw/zinc/53/40/34/1073534034.db2.gz DUNLDJGEYSRQOM-RQJABVFESA-N 1 0 391.432 -2.400 20 0 GAADRO Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC001070275318 1073534732 /nfs/dbraw/zinc/53/47/32/1073534732.db2.gz GLKOHMKWBMTEHK-BARDWOONSA-N 1 0 387.448 -1.350 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070275337 1073534597 /nfs/dbraw/zinc/53/45/97/1073534597.db2.gz HCBMGCBNGHGNNQ-XQHKEYJVSA-N 1 0 389.416 -2.110 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070275355 1073534520 /nfs/dbraw/zinc/53/45/20/1073534520.db2.gz IACHYGLKSFRHLB-XQHKEYJVSA-N 1 0 376.421 -2.234 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070275608 1073534997 /nfs/dbraw/zinc/53/49/97/1073534997.db2.gz VRWMPYIFHMNMTG-RQJABVFESA-N 1 0 375.433 -1.637 20 0 GAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001070275651 1073534854 /nfs/dbraw/zinc/53/48/54/1073534854.db2.gz YFQYUHCVAZLRPF-BARDWOONSA-N 1 0 389.460 -1.424 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001070276353 1073535597 /nfs/dbraw/zinc/53/55/97/1073535597.db2.gz CIIZRSPAHZYZAB-BARDWOONSA-N 1 0 389.460 -1.247 20 0 GAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070276472 1073535460 /nfs/dbraw/zinc/53/54/60/1073535460.db2.gz ILGIDMZSGAKIEP-BARDWOONSA-N 1 0 387.448 -1.364 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001070276537 1073535476 /nfs/dbraw/zinc/53/54/76/1073535476.db2.gz LZGCAUZNKSRYQF-BARDWOONSA-N 1 0 389.460 -1.247 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCn3cncn3)[C@@H](n3ccnn3)C2)C1 ZINC001070276587 1073535616 /nfs/dbraw/zinc/53/56/16/1073535616.db2.gz ODWNKHAIGINFHY-BARDWOONSA-N 1 0 387.448 -1.187 20 0 GAADRO Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cc1=O ZINC001070276760 1073535418 /nfs/dbraw/zinc/53/54/18/1073535418.db2.gz YVHAAAJTJOFXLO-BARDWOONSA-N 1 0 385.428 -1.360 20 0 GAADRO 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/nfs/dbraw/zinc/58/38/71/1073583871.db2.gz RKJKBLZVSFILPK-UHFFFAOYSA-N 1 0 397.567 -1.574 20 0 GAADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC001116258634 1073584878 /nfs/dbraw/zinc/58/48/78/1073584878.db2.gz UCSRWTIKLBWRPK-CYBMUJFWSA-N 1 0 378.433 -1.109 20 0 GAADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC001116258635 1073584963 /nfs/dbraw/zinc/58/49/63/1073584963.db2.gz UCSRWTIKLBWRPK-ZDUSSCGKSA-N 1 0 378.433 -1.109 20 0 GAADRO CN(CCCNC(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)S(C)(=O)=O ZINC001116259641 1073584794 /nfs/dbraw/zinc/58/47/94/1073584794.db2.gz MPBAXEJOPDIGPX-UHFFFAOYSA-N 1 0 398.551 -1.260 20 0 GAADRO C[NH+]1CCN(C(C)(C)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001116263032 1073585488 /nfs/dbraw/zinc/58/54/88/1073585488.db2.gz SKOHXZLZUAVAOM-UHFFFAOYSA-N 1 0 375.539 -1.294 20 0 GAADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC001116277884 1073585425 /nfs/dbraw/zinc/58/54/25/1073585425.db2.gz GOCULNCAJXVIQW-UHFFFAOYSA-N 1 0 378.433 -1.119 20 0 GAADRO C[N@H+](CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C1CC1 ZINC001116278625 1073586046 /nfs/dbraw/zinc/58/60/46/1073586046.db2.gz OBXNSHOVRPLIOO-UHFFFAOYSA-N 1 0 378.433 -1.109 20 0 GAADRO COc1ncc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1C(N)=O ZINC001116281645 1073585961 /nfs/dbraw/zinc/58/59/61/1073585961.db2.gz FFKGLQOVNABLHQ-UHFFFAOYSA-N 1 0 378.433 -1.119 20 0 GAADRO COc1ncc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1C(N)=O ZINC001116283397 1073586118 /nfs/dbraw/zinc/58/61/18/1073586118.db2.gz XOZNXDJFOSWLCP-LLVKDONJSA-N 1 0 378.433 -1.120 20 0 GAADRO COc1ncc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1C(N)=O ZINC001116283398 1073586693 /nfs/dbraw/zinc/58/66/93/1073586693.db2.gz XOZNXDJFOSWLCP-NSHDSACASA-N 1 0 378.433 -1.120 20 0 GAADRO CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001116302806 1073587339 /nfs/dbraw/zinc/58/73/39/1073587339.db2.gz HXWCOHQJWRLIRS-UHFFFAOYSA-N 1 0 395.464 -1.564 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](CO)C2)cn1 ZINC001116305199 1073587195 /nfs/dbraw/zinc/58/71/95/1073587195.db2.gz JDDXCRYTNDCSNH-CYBMUJFWSA-N 1 0 380.449 -1.270 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](CO)C2)cn1 ZINC001116305206 1073587298 /nfs/dbraw/zinc/58/72/98/1073587298.db2.gz JDDXCRYTNDCSNH-ZDUSSCGKSA-N 1 0 380.449 -1.270 20 0 GAADRO COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC001116307844 1073587293 /nfs/dbraw/zinc/58/72/93/1073587293.db2.gz CGHYHRYSCRTAMW-AWEZNQCLSA-N 1 0 396.448 -1.627 20 0 GAADRO COC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC001116307845 1073587282 /nfs/dbraw/zinc/58/72/82/1073587282.db2.gz CGHYHRYSCRTAMW-CQSZACIVSA-N 1 0 396.448 -1.627 20 0 GAADRO C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001116308725 1073587224 /nfs/dbraw/zinc/58/72/24/1073587224.db2.gz KWFJZPZRQKHJNV-CYBMUJFWSA-N 1 0 390.448 -1.099 20 0 GAADRO C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001116308726 1073587348 /nfs/dbraw/zinc/58/73/48/1073587348.db2.gz KWFJZPZRQKHJNV-ZDUSSCGKSA-N 1 0 390.448 -1.099 20 0 GAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(NS(C)(=O)=O)CC2)n1 ZINC001116332432 1073588211 /nfs/dbraw/zinc/58/82/11/1073588211.db2.gz UQFBGSMCXPYTMS-UHFFFAOYSA-N 1 0 386.478 -1.077 20 0 GAADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC001116332619 1073588159 /nfs/dbraw/zinc/58/81/59/1073588159.db2.gz XBPUYOVKARHRFU-UHFFFAOYSA-N 1 0 391.476 -1.192 20 0 GAADRO C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCN1CCCN1C(=O)CNC1=O ZINC001116351048 1073590103 /nfs/dbraw/zinc/59/01/03/1073590103.db2.gz WLTXJVQYQQPVJV-CYBMUJFWSA-N 1 0 380.449 -1.124 20 0 GAADRO Cn1cc(/C=C\C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC001116457562 1073593311 /nfs/dbraw/zinc/59/33/11/1073593311.db2.gz DYFNDKNUEUEWIQ-ARJAWSKDSA-N 1 0 392.456 -1.217 20 0 GAADRO Cn1cc(/C=C/C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC001116457565 1073593367 /nfs/dbraw/zinc/59/33/67/1073593367.db2.gz DYFNDKNUEUEWIQ-ONEGZZNKSA-N 1 0 392.456 -1.217 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC3(C2)OCCO3)cn1 ZINC001116473562 1073593840 /nfs/dbraw/zinc/59/38/40/1073593840.db2.gz ONRQYFJFAGWQNO-UHFFFAOYSA-N 1 0 394.432 -1.525 20 0 GAADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cn(C)c(=O)n(C)c3=O)CC2)cn1 ZINC001116476234 1073593798 /nfs/dbraw/zinc/59/37/98/1073593798.db2.gz LNTYZTYEWZMXPK-UHFFFAOYSA-N 1 0 396.473 -1.240 20 0 GAADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1)S(N)(=O)=O ZINC001116527531 1073596083 /nfs/dbraw/zinc/59/60/83/1073596083.db2.gz AOVWHNVCKYXAFY-CYBMUJFWSA-N 1 0 397.501 -1.152 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1)S(N)(=O)=O ZINC001116527533 1073596109 /nfs/dbraw/zinc/59/61/09/1073596109.db2.gz AOVWHNVCKYXAFY-ZDUSSCGKSA-N 1 0 397.501 -1.152 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)S(N)(=O)=O ZINC001116528174 1073595892 /nfs/dbraw/zinc/59/58/92/1073595892.db2.gz KOSPRANLDVNNMO-AAEUAGOBSA-N 1 0 376.479 -1.461 20 0 GAADRO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)S(N)(=O)=O ZINC001116528175 1073595950 /nfs/dbraw/zinc/59/59/50/1073595950.db2.gz KOSPRANLDVNNMO-DGCLKSJQSA-N 1 0 376.479 -1.461 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)S(N)(=O)=O ZINC001116528176 1073595966 /nfs/dbraw/zinc/59/59/66/1073595966.db2.gz KOSPRANLDVNNMO-WCQYABFASA-N 1 0 376.479 -1.461 20 0 GAADRO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)S(N)(=O)=O ZINC001116528177 1073595978 /nfs/dbraw/zinc/59/59/78/1073595978.db2.gz KOSPRANLDVNNMO-YPMHNXCESA-N 1 0 376.479 -1.461 20 0 GAADRO C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)S(N)(=O)=O ZINC001116528190 1073596013 /nfs/dbraw/zinc/59/60/13/1073596013.db2.gz LDWFXFNOSDUZLJ-GFCCVEGCSA-N 1 0 376.479 -1.459 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)S(N)(=O)=O ZINC001116528191 1073596103 /nfs/dbraw/zinc/59/61/03/1073596103.db2.gz LDWFXFNOSDUZLJ-LBPRGKRZSA-N 1 0 376.479 -1.459 20 0 GAADRO C[C@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)S(N)(=O)=O ZINC001116528763 1073596047 /nfs/dbraw/zinc/59/60/47/1073596047.db2.gz XBVIHSPLQXXVBL-GFCCVEGCSA-N 1 0 398.489 -1.757 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)S(N)(=O)=O ZINC001116528768 1073596060 /nfs/dbraw/zinc/59/60/60/1073596060.db2.gz XBVIHSPLQXXVBL-LBPRGKRZSA-N 1 0 398.489 -1.757 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)S(N)(=O)=O ZINC001116528769 1073596650 /nfs/dbraw/zinc/59/66/50/1073596650.db2.gz XDOUJVORTHRKKQ-GFCCVEGCSA-N 1 0 378.495 -1.261 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)S(N)(=O)=O ZINC001116528770 1073596681 /nfs/dbraw/zinc/59/66/81/1073596681.db2.gz XDOUJVORTHRKKQ-LBPRGKRZSA-N 1 0 378.495 -1.261 20 0 GAADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)n1 ZINC001116536598 1073597181 /nfs/dbraw/zinc/59/71/81/1073597181.db2.gz OWPSRWIAHXRENJ-GFCCVEGCSA-N 1 0 381.437 -1.468 20 0 GAADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)n1 ZINC001116536599 1073597165 /nfs/dbraw/zinc/59/71/65/1073597165.db2.gz OWPSRWIAHXRENJ-LBPRGKRZSA-N 1 0 381.437 -1.468 20 0 GAADRO CCOCCS(=O)(=O)NCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001116547230 1073597087 /nfs/dbraw/zinc/59/70/87/1073597087.db2.gz OHUOVRUADNXUKO-UHFFFAOYSA-N 1 0 393.506 -1.372 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001116579890 1073597722 /nfs/dbraw/zinc/59/77/22/1073597722.db2.gz ZGYLWCXZDJYWBO-KBPBESRZSA-N 1 0 380.449 -1.662 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001116579891 1073597494 /nfs/dbraw/zinc/59/74/94/1073597494.db2.gz ZGYLWCXZDJYWBO-KGLIPLIRSA-N 1 0 380.449 -1.662 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001116579892 1073597659 /nfs/dbraw/zinc/59/76/59/1073597659.db2.gz ZGYLWCXZDJYWBO-UONOGXRCSA-N 1 0 380.449 -1.662 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001116579893 1073597776 /nfs/dbraw/zinc/59/77/76/1073597776.db2.gz ZGYLWCXZDJYWBO-ZIAGYGMSSA-N 1 0 380.449 -1.662 20 0 GAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC001116616248 1073598168 /nfs/dbraw/zinc/59/81/68/1073598168.db2.gz BUMVUISCJRNOBM-KRWDZBQOSA-N 1 0 380.449 -1.663 20 0 GAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC001116616249 1073598410 /nfs/dbraw/zinc/59/84/10/1073598410.db2.gz BUMVUISCJRNOBM-QGZVFWFLSA-N 1 0 380.449 -1.663 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)cn1 ZINC001116693913 1073600629 /nfs/dbraw/zinc/60/06/29/1073600629.db2.gz CCRVECXNVNEFFS-KBPBESRZSA-N 1 0 380.449 -1.081 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCN1CC(C)(C)O ZINC001116694764 1073600483 /nfs/dbraw/zinc/60/04/83/1073600483.db2.gz FXJCKKGUBNQGTK-GFCCVEGCSA-N 1 0 395.464 -1.392 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCN1CC(C)(C)O ZINC001116694765 1073600728 /nfs/dbraw/zinc/60/07/28/1073600728.db2.gz FXJCKKGUBNQGTK-LBPRGKRZSA-N 1 0 395.464 -1.392 20 0 GAADRO O=C(NCCN1CCCOCC1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001116699014 1073600587 /nfs/dbraw/zinc/60/05/87/1073600587.db2.gz BXVJXFWFJCBXPH-UHFFFAOYSA-N 1 0 390.444 -1.205 20 0 GAADRO Cc1cc(NC(=O)C(=O)NCC(=O)NCCO)ccc1N1CC[NH+](C)CC1 ZINC001116709433 1073601298 /nfs/dbraw/zinc/60/12/98/1073601298.db2.gz PKJKQPKVIUQGAO-UHFFFAOYSA-N 1 0 377.445 -1.090 20 0 GAADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC(=O)NCCO)cc2)CC1 ZINC001116726057 1073603819 /nfs/dbraw/zinc/60/38/19/1073603819.db2.gz AZGXJCXTPQOUHA-UHFFFAOYSA-N 1 0 377.445 -1.008 20 0 GAADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nn1C ZINC001116730067 1073604441 /nfs/dbraw/zinc/60/44/41/1073604441.db2.gz WRCVZUWBVAWQLJ-CYBMUJFWSA-N 1 0 380.449 -1.110 20 0 GAADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)nn1C ZINC001116730068 1073604652 /nfs/dbraw/zinc/60/46/52/1073604652.db2.gz WRCVZUWBVAWQLJ-ZDUSSCGKSA-N 1 0 380.449 -1.110 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cn1 ZINC001116756179 1073606843 /nfs/dbraw/zinc/60/68/43/1073606843.db2.gz AIMQTPVUOWLAEW-JTQLQIEISA-N 1 0 394.354 -1.461 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001116902841 1073611676 /nfs/dbraw/zinc/61/16/76/1073611676.db2.gz LSXXYIBFMADAQB-UHFFFAOYSA-N 1 0 388.446 -1.210 20 0 GAADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CC[NH+](C3CC3)CC2)[C@H](O)[C@@H]1O ZINC001116907479 1073611625 /nfs/dbraw/zinc/61/16/25/1073611625.db2.gz NRODRRKWAFYTMH-LSCFUAHRSA-N 1 0 376.417 -1.278 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CCS(C)(=O)=O ZINC001116910466 1073611700 /nfs/dbraw/zinc/61/17/00/1073611700.db2.gz BYXUVLBKKMGVMM-UHFFFAOYSA-N 1 0 385.508 -1.917 20 0 GAADRO CN1CC[NH+](CCCCNC(=O)N2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC001116923814 1073613007 /nfs/dbraw/zinc/61/30/07/1073613007.db2.gz AMUSNZOSDYMMOF-UHFFFAOYSA-N 1 0 390.554 -1.370 20 0 GAADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC001116953900 1073614953 /nfs/dbraw/zinc/61/49/53/1073614953.db2.gz UXSWAQXUHKLDFC-AWEZNQCLSA-N 1 0 389.522 -1.910 20 0 GAADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC001116953901 1073614980 /nfs/dbraw/zinc/61/49/80/1073614980.db2.gz UXSWAQXUHKLDFC-CQSZACIVSA-N 1 0 389.522 -1.910 20 0 GAADRO O=C(NCCCn1ccnc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116958021 1073615359 /nfs/dbraw/zinc/61/53/59/1073615359.db2.gz GDLIOVNDDOSWIT-INIZCTEOSA-N 1 0 378.477 -1.088 20 0 GAADRO O=C(NCCCn1ccnc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116958022 1073615592 /nfs/dbraw/zinc/61/55/92/1073615592.db2.gz GDLIOVNDDOSWIT-MRXNPFEDSA-N 1 0 378.477 -1.088 20 0 GAADRO C[NH+](C)C1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CCCC1 ZINC001116967710 1073615499 /nfs/dbraw/zinc/61/54/99/1073615499.db2.gz CICMCVIAQUMZAH-UHFFFAOYSA-N 1 0 390.506 -1.245 20 0 GAADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116969758 1073615552 /nfs/dbraw/zinc/61/55/52/1073615552.db2.gz FLQBMGOVPKIDIV-BBWFWOEESA-N 1 0 398.504 -1.493 20 0 GAADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116969760 1073615323 /nfs/dbraw/zinc/61/53/23/1073615323.db2.gz FLQBMGOVPKIDIV-GVDBMIGSSA-N 1 0 398.504 -1.493 20 0 GAADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116969762 1073616307 /nfs/dbraw/zinc/61/63/07/1073616307.db2.gz FLQBMGOVPKIDIV-ULQDDVLXSA-N 1 0 398.504 -1.493 20 0 GAADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116969764 1073616267 /nfs/dbraw/zinc/61/62/67/1073616267.db2.gz FLQBMGOVPKIDIV-YESZJQIVSA-N 1 0 398.504 -1.493 20 0 GAADRO CC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001116975628 1073616765 /nfs/dbraw/zinc/61/67/65/1073616765.db2.gz AGXHMVJTTKJGQA-UHFFFAOYSA-N 1 0 393.488 -1.120 20 0 GAADRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cccc(S(N)(=O)=O)c1 ZINC001116978977 1073616929 /nfs/dbraw/zinc/61/69/29/1073616929.db2.gz ZBGCOJZIIVIXNV-GXTWGEPZSA-N 1 0 397.501 -1.127 20 0 GAADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cccc(S(N)(=O)=O)c1 ZINC001116978978 1073617093 /nfs/dbraw/zinc/61/70/93/1073617093.db2.gz ZBGCOJZIIVIXNV-JSGCOSHPSA-N 1 0 397.501 -1.127 20 0 GAADRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cccc(S(N)(=O)=O)c1 ZINC001116978979 1073617070 /nfs/dbraw/zinc/61/70/70/1073617070.db2.gz ZBGCOJZIIVIXNV-OCCSQVGLSA-N 1 0 397.501 -1.127 20 0 GAADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cccc(S(N)(=O)=O)c1 ZINC001116978980 1073617125 /nfs/dbraw/zinc/61/71/25/1073617125.db2.gz ZBGCOJZIIVIXNV-TZMCWYRMSA-N 1 0 397.501 -1.127 20 0 GAADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC001116985803 1073617750 /nfs/dbraw/zinc/61/77/50/1073617750.db2.gz BIIJNQWLEYSSKU-UHFFFAOYSA-N 1 0 379.461 -1.510 20 0 GAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)C2 ZINC001116987851 1073617764 /nfs/dbraw/zinc/61/77/64/1073617764.db2.gz HCQUQOUNHSPVPJ-UHFFFAOYSA-N 1 0 393.448 -2.314 20 0 GAADRO COCCN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1=O ZINC001116991435 1073618606 /nfs/dbraw/zinc/61/86/06/1073618606.db2.gz GAFRCAYEUKASMY-INIZCTEOSA-N 1 0 397.520 -1.308 20 0 GAADRO COCCN1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1=O ZINC001116991436 1073618385 /nfs/dbraw/zinc/61/83/85/1073618385.db2.gz GAFRCAYEUKASMY-MRXNPFEDSA-N 1 0 397.520 -1.308 20 0 GAADRO CCNS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001116991472 1073618523 /nfs/dbraw/zinc/61/85/23/1073618523.db2.gz AADVYMFAQXDIMH-CYBMUJFWSA-N 1 0 378.495 -1.485 20 0 GAADRO CCNS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001116991473 1073618587 /nfs/dbraw/zinc/61/85/87/1073618587.db2.gz AADVYMFAQXDIMH-ZDUSSCGKSA-N 1 0 378.495 -1.485 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001116992320 1073618354 /nfs/dbraw/zinc/61/83/54/1073618354.db2.gz PZNSHDPCKMDWQL-CYBMUJFWSA-N 1 0 378.495 -1.485 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001116992321 1073618476 /nfs/dbraw/zinc/61/84/76/1073618476.db2.gz PZNSHDPCKMDWQL-ZDUSSCGKSA-N 1 0 378.495 -1.485 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(OCC(N)=O)CC2)C1 ZINC001116992520 1073619272 /nfs/dbraw/zinc/61/92/72/1073619272.db2.gz SJQRACOURXAHFO-HNNXBMFYSA-N 1 0 384.477 -1.048 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(OCC(N)=O)CC2)C1 ZINC001116992521 1073619165 /nfs/dbraw/zinc/61/91/65/1073619165.db2.gz SJQRACOURXAHFO-OAHLLOKOSA-N 1 0 384.477 -1.048 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001116992927 1073619075 /nfs/dbraw/zinc/61/90/75/1073619075.db2.gz YRQOUWQINOGHPE-AWEZNQCLSA-N 1 0 391.538 -1.618 20 0 GAADRO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001116992928 1073619197 /nfs/dbraw/zinc/61/91/97/1073619197.db2.gz YRQOUWQINOGHPE-CQSZACIVSA-N 1 0 391.538 -1.618 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001117008152 1073620001 /nfs/dbraw/zinc/62/00/01/1073620001.db2.gz IFLPFPFAPQTSRD-UHFFFAOYSA-N 1 0 377.511 -1.816 20 0 GAADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001117009114 1073619864 /nfs/dbraw/zinc/61/98/64/1073619864.db2.gz PHIYBZMVFWETNV-UHFFFAOYSA-N 1 0 391.538 -1.427 20 0 GAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCc2ccc(C(N)=O)nc2)CC1 ZINC001117009302 1073619980 /nfs/dbraw/zinc/61/99/80/1073619980.db2.gz QZKCDSKATBTOKX-UHFFFAOYSA-N 1 0 376.461 -1.061 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)N1CC[NH+](C)CC1 ZINC001117013390 1073620599 /nfs/dbraw/zinc/62/05/99/1073620599.db2.gz NBSIXAWRKQESDH-AWEZNQCLSA-N 1 0 396.492 -1.567 20 0 GAADRO CC(C)[C@@H](CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)N1CC[NH+](C)CC1 ZINC001117013391 1073620625 /nfs/dbraw/zinc/62/06/25/1073620625.db2.gz NBSIXAWRKQESDH-CQSZACIVSA-N 1 0 396.492 -1.567 20 0 GAADRO O=C(NCCN1C(=O)CNC1=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001117015476 1073620481 /nfs/dbraw/zinc/62/04/81/1073620481.db2.gz LUOVAEDWSBRDMT-UHFFFAOYSA-N 1 0 388.428 -1.170 20 0 GAADRO COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001117022187 1073621317 /nfs/dbraw/zinc/62/13/17/1073621317.db2.gz HSXTWFIJDLUOTG-INIZCTEOSA-N 1 0 398.504 -1.097 20 0 GAADRO COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001117022190 1073621422 /nfs/dbraw/zinc/62/14/22/1073621422.db2.gz HSXTWFIJDLUOTG-MRXNPFEDSA-N 1 0 398.504 -1.097 20 0 GAADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC001117022369 1073621405 /nfs/dbraw/zinc/62/14/05/1073621405.db2.gz JWKJVHPFLUAZRS-UHFFFAOYSA-N 1 0 396.536 -1.462 20 0 GAADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001117022603 1073621234 /nfs/dbraw/zinc/62/12/34/1073621234.db2.gz NHLYAGYYUICRGX-UHFFFAOYSA-N 1 0 389.522 -1.766 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001117022753 1073621277 /nfs/dbraw/zinc/62/12/77/1073621277.db2.gz ORWPLQKMHYNJAX-KRWDZBQOSA-N 1 0 397.520 -1.116 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001117022754 1073621901 /nfs/dbraw/zinc/62/19/01/1073621901.db2.gz ORWPLQKMHYNJAX-QGZVFWFLSA-N 1 0 397.520 -1.116 20 0 GAADRO CN1CC[NH+](CCCCNC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC001117022877 1073621959 /nfs/dbraw/zinc/62/19/59/1073621959.db2.gz RRKPWZTWJYMFLJ-UHFFFAOYSA-N 1 0 389.522 -1.673 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001117023015 1073622069 /nfs/dbraw/zinc/62/20/69/1073622069.db2.gz VCCAQTFAVBWSFT-CABCVRRESA-N 1 0 383.493 -1.331 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001117023016 1073621880 /nfs/dbraw/zinc/62/18/80/1073621880.db2.gz VCCAQTFAVBWSFT-GJZGRUSLSA-N 1 0 383.493 -1.331 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC001117023017 1073621949 /nfs/dbraw/zinc/62/19/49/1073621949.db2.gz VCCAQTFAVBWSFT-HUUCEWRRSA-N 1 0 383.493 -1.331 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC001117023018 1073622002 /nfs/dbraw/zinc/62/20/02/1073622002.db2.gz VCCAQTFAVBWSFT-LSDHHAIUSA-N 1 0 383.493 -1.331 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC001117023521 1073621932 /nfs/dbraw/zinc/62/19/32/1073621932.db2.gz SOLRZFUGYKWMLY-AWEZNQCLSA-N 1 0 390.506 -1.293 20 0 GAADRO CS(=O)(=O)NC1CC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC001117023711 1073622080 /nfs/dbraw/zinc/62/20/80/1073622080.db2.gz VTMWLBSLESASMH-UHFFFAOYSA-N 1 0 376.479 -1.589 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)O1 ZINC001117028544 1073622673 /nfs/dbraw/zinc/62/26/73/1073622673.db2.gz CABDXBUSGRSOKD-ILXRZTDVSA-N 1 0 382.461 -1.105 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)O1 ZINC001117028545 1073622734 /nfs/dbraw/zinc/62/27/34/1073622734.db2.gz CABDXBUSGRSOKD-KFWWJZLASA-N 1 0 382.461 -1.105 20 0 GAADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)O1 ZINC001117028546 1073622692 /nfs/dbraw/zinc/62/26/92/1073622692.db2.gz CABDXBUSGRSOKD-KKUMJFAQSA-N 1 0 382.461 -1.105 20 0 GAADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)O1 ZINC001117028547 1073622679 /nfs/dbraw/zinc/62/26/79/1073622679.db2.gz CABDXBUSGRSOKD-ZNMIVQPWSA-N 1 0 382.461 -1.105 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001117029333 1073622698 /nfs/dbraw/zinc/62/26/98/1073622698.db2.gz RJNBGVGRPAJXBJ-UHFFFAOYSA-N 1 0 383.474 -1.172 20 0 GAADRO CN(CCS(C)(=O)=O)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001117030089 1073623300 /nfs/dbraw/zinc/62/33/00/1073623300.db2.gz NPCWINHPNCYQTI-UHFFFAOYSA-N 1 0 397.501 -1.047 20 0 GAADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)CCSC1 ZINC001117030117 1073623335 /nfs/dbraw/zinc/62/33/35/1073623335.db2.gz DILRNFMBUMDBMO-AWEZNQCLSA-N 1 0 380.536 -1.016 20 0 GAADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)CCSC1 ZINC001117030118 1073623213 /nfs/dbraw/zinc/62/32/13/1073623213.db2.gz DILRNFMBUMDBMO-CQSZACIVSA-N 1 0 380.536 -1.016 20 0 GAADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)CCSC1 ZINC001117031285 1073623268 /nfs/dbraw/zinc/62/32/68/1073623268.db2.gz SQDHPXYWFGCAMX-MGULZYLOSA-N 1 0 378.520 -1.264 20 0 GAADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)CCSC1 ZINC001117031287 1073623366 /nfs/dbraw/zinc/62/33/66/1073623366.db2.gz SQDHPXYWFGCAMX-QIMFLAQGSA-N 1 0 378.520 -1.264 20 0 GAADRO NC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC001117035205 1073623877 /nfs/dbraw/zinc/62/38/77/1073623877.db2.gz GUBKPZYRLVTXOO-HNNXBMFYSA-N 1 0 375.429 -1.125 20 0 GAADRO NC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC001117035207 1073623926 /nfs/dbraw/zinc/62/39/26/1073623926.db2.gz GUBKPZYRLVTXOO-OAHLLOKOSA-N 1 0 375.429 -1.125 20 0 GAADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC001117041623 1073624316 /nfs/dbraw/zinc/62/43/16/1073624316.db2.gz BUHTZJQUOWRPHA-AWEZNQCLSA-N 1 0 397.501 -1.427 20 0 GAADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC001117041624 1073624412 /nfs/dbraw/zinc/62/44/12/1073624412.db2.gz BUHTZJQUOWRPHA-CQSZACIVSA-N 1 0 397.501 -1.427 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001117042840 1073625165 /nfs/dbraw/zinc/62/51/65/1073625165.db2.gz DTDBHWKIAOOZOC-UHFFFAOYSA-N 1 0 377.511 -1.814 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)CCNS(C)(=O)=O)CC1 ZINC001117043015 1073625190 /nfs/dbraw/zinc/62/51/90/1073625190.db2.gz GCGABLXKTVNJEL-UHFFFAOYSA-N 1 0 391.538 -1.472 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC001117043603 1073625098 /nfs/dbraw/zinc/62/50/98/1073625098.db2.gz NFLCDTAIMUMFLJ-AWEZNQCLSA-N 1 0 389.522 -1.590 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC001117043604 1073625199 /nfs/dbraw/zinc/62/51/99/1073625199.db2.gz NFLCDTAIMUMFLJ-CQSZACIVSA-N 1 0 389.522 -1.590 20 0 GAADRO CS(=O)(=O)N1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001117043670 1073625218 /nfs/dbraw/zinc/62/52/18/1073625218.db2.gz PLNOCODADQKQIG-UHFFFAOYSA-N 1 0 390.506 -1.245 20 0 GAADRO CC[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)N1CCOCC1 ZINC001117044499 1073625011 /nfs/dbraw/zinc/62/50/11/1073625011.db2.gz 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ZINC001117902013 1073714874 /nfs/dbraw/zinc/71/48/74/1073714874.db2.gz ZQVXNUAKWKIBRN-CABCVRRESA-N 1 0 391.472 -1.558 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CCCC(=O)NC)CC1 ZINC001117917995 1073715847 /nfs/dbraw/zinc/71/58/47/1073715847.db2.gz SEPYCVKVLLMKNI-UHFFFAOYSA-N 1 0 383.493 -1.016 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)CC1 ZINC001117919315 1073715995 /nfs/dbraw/zinc/71/59/95/1073715995.db2.gz GIDLHWONQQEFMD-CHWSQXEVSA-N 1 0 388.415 -1.020 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)CC1 ZINC001117919316 1073715802 /nfs/dbraw/zinc/71/58/02/1073715802.db2.gz GIDLHWONQQEFMD-OLZOCXBDSA-N 1 0 388.415 -1.020 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)CC1 ZINC001117919317 1073715703 /nfs/dbraw/zinc/71/57/03/1073715703.db2.gz GIDLHWONQQEFMD-QWHCGFSZSA-N 1 0 388.415 -1.020 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)CC1 ZINC001117919318 1073716034 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1 0 381.433 -1.776 20 0 GAADRO CC1(C)OC[C@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)O1 ZINC001117981141 1073718535 /nfs/dbraw/zinc/71/85/35/1073718535.db2.gz RTGVJTQFKWDGIC-KBPBESRZSA-N 1 0 382.461 -1.076 20 0 GAADRO CC1(C)OC[C@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)O1 ZINC001117981142 1073718521 /nfs/dbraw/zinc/71/85/21/1073718521.db2.gz RTGVJTQFKWDGIC-KGLIPLIRSA-N 1 0 382.461 -1.076 20 0 GAADRO CC1(C)OC[C@@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)O1 ZINC001117981143 1073719111 /nfs/dbraw/zinc/71/91/11/1073719111.db2.gz RTGVJTQFKWDGIC-UONOGXRCSA-N 1 0 382.461 -1.076 20 0 GAADRO CC1(C)OC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)O1 ZINC001117981144 1073719045 /nfs/dbraw/zinc/71/90/45/1073719045.db2.gz RTGVJTQFKWDGIC-ZIAGYGMSSA-N 1 0 382.461 -1.076 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)CC1 ZINC001117983472 1073719307 /nfs/dbraw/zinc/71/93/07/1073719307.db2.gz FBYVGEWASCLSKS-CYBMUJFWSA-N 1 0 388.415 -1.019 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)CC1 ZINC001117983475 1073719195 /nfs/dbraw/zinc/71/91/95/1073719195.db2.gz FBYVGEWASCLSKS-ZDUSSCGKSA-N 1 0 388.415 -1.019 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001117999547 1073719329 /nfs/dbraw/zinc/71/93/29/1073719329.db2.gz XLPUUSSSRLKVBD-AWEZNQCLSA-N 1 0 381.477 -1.266 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC001117999548 1073719264 /nfs/dbraw/zinc/71/92/64/1073719264.db2.gz XLPUUSSSRLKVBD-CQSZACIVSA-N 1 0 381.477 -1.266 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001118036023 1073719740 /nfs/dbraw/zinc/71/97/40/1073719740.db2.gz XJPHUEKDYSRPLM-KBPBESRZSA-N 1 0 390.506 -1.151 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001118036024 1073719785 /nfs/dbraw/zinc/71/97/85/1073719785.db2.gz XJPHUEKDYSRPLM-KGLIPLIRSA-N 1 0 390.506 -1.151 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001118036025 1073719684 /nfs/dbraw/zinc/71/96/84/1073719684.db2.gz XJPHUEKDYSRPLM-UONOGXRCSA-N 1 0 390.506 -1.151 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001118036026 1073719778 /nfs/dbraw/zinc/71/97/78/1073719778.db2.gz XJPHUEKDYSRPLM-ZIAGYGMSSA-N 1 0 390.506 -1.151 20 0 GAADRO [NH3+]C1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CCCCC1 ZINC001118038335 1073719654 /nfs/dbraw/zinc/71/96/54/1073719654.db2.gz WRTGYSGVGNDSTP-UHFFFAOYSA-N 1 0 376.479 -1.458 20 0 GAADRO O=C(CNC(=O)C(=O)NCCNC(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC001118038985 1073720157 /nfs/dbraw/zinc/72/01/57/1073720157.db2.gz QVCHNNDNUQSULS-UHFFFAOYSA-N 1 0 395.847 -1.266 20 0 GAADRO O=C(CNC(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC001118043603 1073720244 /nfs/dbraw/zinc/72/02/44/1073720244.db2.gz QOKJEUUQLWJJIG-UHFFFAOYSA-N 1 0 394.476 -1.716 20 0 GAADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[NH2+]1 ZINC001118059906 1073720692 /nfs/dbraw/zinc/72/06/92/1073720692.db2.gz URCOSYWRVDPLAH-OAHLLOKOSA-N 1 0 393.488 -1.264 20 0 GAADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001118066919 1073721255 /nfs/dbraw/zinc/72/12/55/1073721255.db2.gz FIHOKMJQAXPRDF-AWEZNQCLSA-N 1 0 390.506 -1.294 20 0 GAADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001118066921 1073721430 /nfs/dbraw/zinc/72/14/30/1073721430.db2.gz FIHOKMJQAXPRDF-CQSZACIVSA-N 1 0 390.506 -1.294 20 0 GAADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118077841 1073721328 /nfs/dbraw/zinc/72/13/28/1073721328.db2.gz YTSWFUFBASMCRB-QWHCGFSZSA-N 1 0 379.508 -1.242 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)C[C@H]2[NH3+])cn1 ZINC001118086133 1073721942 /nfs/dbraw/zinc/72/19/42/1073721942.db2.gz ORETZEUMWQLGBJ-QWHCGFSZSA-N 1 0 384.462 -2.223 20 0 GAADRO CCn1nc(C)c(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC001118086173 1073721821 /nfs/dbraw/zinc/72/18/21/1073721821.db2.gz QAKONFVLPVFCNS-AWEZNQCLSA-N 1 0 391.476 -1.107 20 0 GAADRO CCn1nc(C)c(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC001118086174 1073721995 /nfs/dbraw/zinc/72/19/95/1073721995.db2.gz QAKONFVLPVFCNS-CQSZACIVSA-N 1 0 391.476 -1.107 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)C[C@H]2[NH3+])cn1 ZINC001118086188 1073721964 /nfs/dbraw/zinc/72/19/64/1073721964.db2.gz QPIJLAGZEXDNJE-QLFBSQMISA-N 1 0 393.444 -1.289 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)C[C@H]2[NH3+])cn1 ZINC001118086189 1073721979 /nfs/dbraw/zinc/72/19/79/1073721979.db2.gz QPIJLAGZEXDNJE-SOUVJXGZSA-N 1 0 393.444 -1.289 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCNC(=O)c3cccnc3)C[C@H]2[NH3+])cn1 ZINC001118086606 1073721884 /nfs/dbraw/zinc/72/18/84/1073721884.db2.gz XQDDBGBAQKTBLC-LSDHHAIUSA-N 1 0 385.428 -1.386 20 0 GAADRO CN1C(=O)NCC12CC[NH+](CCn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 ZINC001118102540 1073721805 /nfs/dbraw/zinc/72/18/05/1073721805.db2.gz CQGXYTBHCOEGHQ-UHFFFAOYSA-N 1 0 375.433 -1.077 20 0 GAADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001118105292 1073721949 /nfs/dbraw/zinc/72/19/49/1073721949.db2.gz BHTGKWALKKGTHN-NEPJUHHUSA-N 1 0 380.405 -1.241 20 0 GAADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001118105295 1073721923 /nfs/dbraw/zinc/72/19/23/1073721923.db2.gz BHTGKWALKKGTHN-NWDGAFQWSA-N 1 0 380.405 -1.241 20 0 GAADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001118105297 1073722655 /nfs/dbraw/zinc/72/26/55/1073722655.db2.gz BHTGKWALKKGTHN-RYUDHWBXSA-N 1 0 380.405 -1.241 20 0 GAADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001118105298 1073722506 /nfs/dbraw/zinc/72/25/06/1073722506.db2.gz BHTGKWALKKGTHN-VXGBXAGGSA-N 1 0 380.405 -1.241 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 ZINC001118110194 1073722323 /nfs/dbraw/zinc/72/23/23/1073722323.db2.gz UPAQMMJTQNAYQM-AWEZNQCLSA-N 1 0 381.477 -1.216 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC001118110195 1073722686 /nfs/dbraw/zinc/72/26/86/1073722686.db2.gz UPAQMMJTQNAYQM-CQSZACIVSA-N 1 0 381.477 -1.216 20 0 GAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001118111064 1073722421 /nfs/dbraw/zinc/72/24/21/1073722421.db2.gz RELXFGIBXBSFIL-CHWSQXEVSA-N 1 0 395.460 -1.691 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001118111065 1073722481 /nfs/dbraw/zinc/72/24/81/1073722481.db2.gz RELXFGIBXBSFIL-OLZOCXBDSA-N 1 0 395.460 -1.691 20 0 GAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001118111066 1073722612 /nfs/dbraw/zinc/72/26/12/1073722612.db2.gz RELXFGIBXBSFIL-QWHCGFSZSA-N 1 0 395.460 -1.691 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001118111067 1073722568 /nfs/dbraw/zinc/72/25/68/1073722568.db2.gz RELXFGIBXBSFIL-STQMWFEESA-N 1 0 395.460 -1.691 20 0 GAADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC001118111275 1073722448 /nfs/dbraw/zinc/72/24/48/1073722448.db2.gz WBDKJUWDGBPUPE-HNNXBMFYSA-N 1 0 393.488 -1.075 20 0 GAADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC001118111276 1073722997 /nfs/dbraw/zinc/72/29/97/1073722997.db2.gz WBDKJUWDGBPUPE-OAHLLOKOSA-N 1 0 393.488 -1.075 20 0 GAADRO COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001118111594 1073723016 /nfs/dbraw/zinc/72/30/16/1073723016.db2.gz GUPVDSIAWABADG-OKILXGFUSA-N 1 0 380.445 -1.179 20 0 GAADRO CCn1nc(C)c(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC001118117084 1073723008 /nfs/dbraw/zinc/72/30/08/1073723008.db2.gz QUMCPGWHYSGMJI-UHFFFAOYSA-N 1 0 391.476 -1.011 20 0 GAADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001118134187 1073723443 /nfs/dbraw/zinc/72/34/43/1073723443.db2.gz KSTNEBGACYUBDH-NEPJUHHUSA-N 1 0 390.462 -2.676 20 0 GAADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001118134188 1073723396 /nfs/dbraw/zinc/72/33/96/1073723396.db2.gz KSTNEBGACYUBDH-RYUDHWBXSA-N 1 0 390.462 -2.676 20 0 GAADRO [NH3+]CCCCn1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)nn1 ZINC001118134347 1073723670 /nfs/dbraw/zinc/72/36/70/1073723670.db2.gz OMERWQLHPRMGOG-AWEZNQCLSA-N 1 0 379.465 -1.320 20 0 GAADRO [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nn1 ZINC001118134348 1073723690 /nfs/dbraw/zinc/72/36/90/1073723690.db2.gz OMERWQLHPRMGOG-CQSZACIVSA-N 1 0 379.465 -1.320 20 0 GAADRO CN(CCCNC(=O)CN1C(=O)NC2(CC[NH2+]CC2)C1=O)S(C)(=O)=O ZINC001118134445 1073723508 /nfs/dbraw/zinc/72/35/08/1073723508.db2.gz ALIAZLKVKMLTAV-UHFFFAOYSA-N 1 0 375.451 -1.942 20 0 GAADRO C[NH+]1CCC2(CC1)CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CCO2 ZINC001118135207 1073723522 /nfs/dbraw/zinc/72/35/22/1073723522.db2.gz LDFLXKRYNAUCSX-CYBMUJFWSA-N 1 0 388.490 -1.204 20 0 GAADRO C[NH+]1CCC2(CC1)CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CCO2 ZINC001118135208 1073723656 /nfs/dbraw/zinc/72/36/56/1073723656.db2.gz LDFLXKRYNAUCSX-ZDUSSCGKSA-N 1 0 388.490 -1.204 20 0 GAADRO COCC[NH2+]CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001118137373 1073723552 /nfs/dbraw/zinc/72/35/52/1073723552.db2.gz AYEJHYCDKCKPIQ-GFCCVEGCSA-N 1 0 383.492 -2.117 20 0 GAADRO COCC[NH2+]CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001118137374 1073723604 /nfs/dbraw/zinc/72/36/04/1073723604.db2.gz AYEJHYCDKCKPIQ-LBPRGKRZSA-N 1 0 383.492 -2.117 20 0 GAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001118143118 1073724196 /nfs/dbraw/zinc/72/41/96/1073724196.db2.gz DOWDOHDDFMFZIX-ILXRZTDVSA-N 1 0 385.461 -1.158 20 0 GAADRO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001118143119 1073724150 /nfs/dbraw/zinc/72/41/50/1073724150.db2.gz DOWDOHDDFMFZIX-KFWWJZLASA-N 1 0 385.461 -1.158 20 0 GAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001118143120 1073724240 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NS(=O)(=O)c1cnn(CCC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC001118260040 1073737557 /nfs/dbraw/zinc/73/75/57/1073737557.db2.gz AZYHUFMBENWZQY-ZDUSSCGKSA-N 1 0 398.489 -1.409 20 0 GAADRO CCOC(=O)[C@@H]1C[NH2+]CCN1CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001118260651 1073737566 /nfs/dbraw/zinc/73/75/66/1073737566.db2.gz DSBOXCVWGMCGAN-KBPBESRZSA-N 1 0 391.490 -1.515 20 0 GAADRO CCOC(=O)[C@@H]1C[NH2+]CCN1CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001118260654 1073737528 /nfs/dbraw/zinc/73/75/28/1073737528.db2.gz DSBOXCVWGMCGAN-KGLIPLIRSA-N 1 0 391.490 -1.515 20 0 GAADRO CCOC(=O)[C@H]1C[NH2+]CCN1CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001118260657 1073738219 /nfs/dbraw/zinc/73/82/19/1073738219.db2.gz DSBOXCVWGMCGAN-UONOGXRCSA-N 1 0 391.490 -1.515 20 0 GAADRO CCOC(=O)[C@H]1C[NH2+]CCN1CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001118260658 1073738335 /nfs/dbraw/zinc/73/83/35/1073738335.db2.gz DSBOXCVWGMCGAN-ZIAGYGMSSA-N 1 0 391.490 -1.515 20 0 GAADRO O=C(CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)N1CC[NH2+]CC1 ZINC001118261425 1073738288 /nfs/dbraw/zinc/73/82/88/1073738288.db2.gz UMSJGPRQUWTKHV-CYBMUJFWSA-N 1 0 394.519 -2.447 20 0 GAADRO O=C(CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)N1CC[NH2+]CC1 ZINC001118261426 1073738093 /nfs/dbraw/zinc/73/80/93/1073738093.db2.gz UMSJGPRQUWTKHV-ZDUSSCGKSA-N 1 0 394.519 -2.447 20 0 GAADRO CN(C)C(=O)O[C@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001118262781 1073738134 /nfs/dbraw/zinc/73/81/34/1073738134.db2.gz SLAWGUABLUUPPD-AWEZNQCLSA-N 1 0 397.476 -1.092 20 0 GAADRO CN(C)C(=O)O[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001118262782 1073738246 /nfs/dbraw/zinc/73/82/46/1073738246.db2.gz SLAWGUABLUUPPD-CQSZACIVSA-N 1 0 397.476 -1.092 20 0 GAADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001118263933 1073738704 /nfs/dbraw/zinc/73/87/04/1073738704.db2.gz PMMVPXYRRXHJIS-NDBYEHHHSA-N 1 0 377.488 -1.887 20 0 GAADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001118263936 1073738714 /nfs/dbraw/zinc/73/87/14/1073738714.db2.gz PMMVPXYRRXHJIS-WUHRBBMRSA-N 1 0 377.488 -1.887 20 0 GAADRO CCNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001118264665 1073738738 /nfs/dbraw/zinc/73/87/38/1073738738.db2.gz FHXXXULISCIWHG-BFHYXJOUSA-N 1 0 390.506 -1.213 20 0 GAADRO CCNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001118264670 1073739173 /nfs/dbraw/zinc/73/91/73/1073739173.db2.gz FHXXXULISCIWHG-IHRRRGAJSA-N 1 0 390.506 -1.213 20 0 GAADRO CCNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001118264671 1073739208 /nfs/dbraw/zinc/73/92/08/1073739208.db2.gz FHXXXULISCIWHG-MELADBBJSA-N 1 0 390.506 -1.213 20 0 GAADRO CCNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001118264672 1073739197 /nfs/dbraw/zinc/73/91/97/1073739197.db2.gz FHXXXULISCIWHG-MJBXVCDLSA-N 1 0 390.506 -1.213 20 0 GAADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001118266463 1073739258 /nfs/dbraw/zinc/73/92/58/1073739258.db2.gz IHXKXPRIBTZTIT-UHFFFAOYSA-N 1 0 398.485 -1.200 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC001118267695 1073739336 /nfs/dbraw/zinc/73/93/36/1073739336.db2.gz CASASLKMEZPVNN-TZMCWYRMSA-N 1 0 390.506 -1.309 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCO1 ZINC001118267914 1073739192 /nfs/dbraw/zinc/73/91/92/1073739192.db2.gz GJGCYKJFRGWPBG-AJNGGQMLSA-N 1 0 382.461 -1.295 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCO1 ZINC001118267915 1073739298 /nfs/dbraw/zinc/73/92/98/1073739298.db2.gz GJGCYKJFRGWPBG-XGUBFFRZSA-N 1 0 382.461 -1.295 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCO1 ZINC001118267916 1073739159 /nfs/dbraw/zinc/73/91/59/1073739159.db2.gz GJGCYKJFRGWPBG-XQLPTFJDSA-N 1 0 382.461 -1.295 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCO1 ZINC001118267917 1073739183 /nfs/dbraw/zinc/73/91/83/1073739183.db2.gz GJGCYKJFRGWPBG-YJNKXOJESA-N 1 0 382.461 -1.295 20 0 GAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCCC1(C[NH3+])CC1)C2 ZINC001118267973 1073739753 /nfs/dbraw/zinc/73/97/53/1073739753.db2.gz GLYRZVOXIHOTMS-UHFFFAOYSA-N 1 0 393.448 -2.280 20 0 GAADRO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001118268078 1073739874 /nfs/dbraw/zinc/73/98/74/1073739874.db2.gz IJGQTIZCDSKOED-CYBMUJFWSA-N 1 0 376.479 -1.637 20 0 GAADRO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001118268079 1073739816 /nfs/dbraw/zinc/73/98/16/1073739816.db2.gz IJGQTIZCDSKOED-ZDUSSCGKSA-N 1 0 376.479 -1.637 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC001118268142 1073739895 /nfs/dbraw/zinc/73/98/95/1073739895.db2.gz JTIXPEBGQJTRGZ-TZMCWYRMSA-N 1 0 390.506 -1.309 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001118268707 1073739855 /nfs/dbraw/zinc/73/98/55/1073739855.db2.gz VQJPSFNEFCDYSN-YNEHKIRRSA-N 1 0 376.479 -1.699 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC001118269546 1073739909 /nfs/dbraw/zinc/73/99/09/1073739909.db2.gz NOEFEUOELSEYRC-AVGNSLFASA-N 1 0 384.433 -1.911 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC001118269550 1073739798 /nfs/dbraw/zinc/73/97/98/1073739798.db2.gz NOEFEUOELSEYRC-XQQFMLRXSA-N 1 0 384.433 -1.911 20 0 GAADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)C2)C1 ZINC001118270136 1073739902 /nfs/dbraw/zinc/73/99/02/1073739902.db2.gz WLTZVVMCFFIWQC-CRWXNKLISA-N 1 0 393.444 -1.506 20 0 GAADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)C2)C1 ZINC001118270215 1073739786 /nfs/dbraw/zinc/73/97/86/1073739786.db2.gz WLTZVVMCFFIWQC-DGAVXFQQSA-N 1 0 393.444 -1.506 20 0 GAADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)C2)C1 ZINC001118270216 1073739886 /nfs/dbraw/zinc/73/98/86/1073739886.db2.gz WLTZVVMCFFIWQC-MQYQWHSLSA-N 1 0 393.444 -1.506 20 0 GAADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)C2)C1 ZINC001118270217 1073739866 /nfs/dbraw/zinc/73/98/66/1073739866.db2.gz WLTZVVMCFFIWQC-SYQHCUMBSA-N 1 0 393.444 -1.506 20 0 GAADRO COCC[NH2+]C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC001118272598 1073739915 /nfs/dbraw/zinc/73/99/15/1073739915.db2.gz CNMCQYZBJUVYLD-UHFFFAOYSA-N 1 0 378.433 -1.339 20 0 GAADRO CCON(C)C(=O)CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001118278453 1073740307 /nfs/dbraw/zinc/74/03/07/1073740307.db2.gz BAUGPNNHSUGFHK-UHFFFAOYSA-N 1 0 392.460 -1.024 20 0 GAADRO [NH3+]CCCn1cc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)nn1 ZINC001118281662 1073740269 /nfs/dbraw/zinc/74/02/69/1073740269.db2.gz LYAKJDGCLKOGSO-UHFFFAOYSA-N 1 0 387.448 -1.114 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)c3ccc4c(n3)n(C)c(=O)n(C)c4=O)C[C@H]2[NH3+])cn1 ZINC001118284587 1073740873 /nfs/dbraw/zinc/74/08/73/1073740873.db2.gz NIAVNPGMBSRYBT-QWHCGFSZSA-N 1 0 383.412 -1.067 20 0 GAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001118285404 1073740943 /nfs/dbraw/zinc/74/09/43/1073740943.db2.gz MSQAHMAPUYXUFY-DBYLTBGSSA-N 1 0 384.502 -1.223 20 0 GAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001118285406 1073741100 /nfs/dbraw/zinc/74/11/00/1073741100.db2.gz MSQAHMAPUYXUFY-BXXOBLTESA-N 1 0 384.502 -1.223 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001118285407 1073740840 /nfs/dbraw/zinc/74/08/40/1073740840.db2.gz MSQAHMAPUYXUFY-MIBVRESMSA-N 1 0 384.502 -1.223 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001118285410 1073740888 /nfs/dbraw/zinc/74/08/88/1073740888.db2.gz MSQAHMAPUYXUFY-JKBMYWNGSA-N 1 0 384.502 -1.223 20 0 GAADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001118285816 1073740977 /nfs/dbraw/zinc/74/09/77/1073740977.db2.gz NMMNRRJXNGMDFG-UHFFFAOYSA-N 1 0 391.494 -2.337 20 0 GAADRO CCO[N-]C(=O)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001118287153 1073741033 /nfs/dbraw/zinc/74/10/33/1073741033.db2.gz YQSATRWRBXVUTK-UHFFFAOYSA-N 1 0 392.460 -1.106 20 0 GAADRO CS(=O)(=O)C1(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC[NH2+]CC1 ZINC001118287312 1073741086 /nfs/dbraw/zinc/74/10/86/1073741086.db2.gz VLASZLYOIFPCHS-UHFFFAOYSA-N 1 0 395.485 -1.004 20 0 GAADRO O=C(NCCN1CCCC1=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001118288406 1073741584 /nfs/dbraw/zinc/74/15/84/1073741584.db2.gz XQBQNOXIFZTOBX-HNNXBMFYSA-N 1 0 381.477 -1.752 20 0 GAADRO O=C(NCCN1CCCC1=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001118288407 1073741606 /nfs/dbraw/zinc/74/16/06/1073741606.db2.gz XQBQNOXIFZTOBX-OAHLLOKOSA-N 1 0 381.477 -1.752 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1=O ZINC001118292737 1073741573 /nfs/dbraw/zinc/74/15/73/1073741573.db2.gz VZBXHFXJBYEOHY-CYBMUJFWSA-N 1 0 381.477 -1.266 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1=O ZINC001118292738 1073741520 /nfs/dbraw/zinc/74/15/20/1073741520.db2.gz VZBXHFXJBYEOHY-ZDUSSCGKSA-N 1 0 381.477 -1.266 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)CC1=O ZINC001118293998 1073742096 /nfs/dbraw/zinc/74/20/96/1073742096.db2.gz OJRHPFOPXMDUIR-UHFFFAOYSA-N 1 0 388.490 -1.840 20 0 GAADRO CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001118300498 1073743262 /nfs/dbraw/zinc/74/32/62/1073743262.db2.gz VIUGSBNSHOSNMU-CYBMUJFWSA-N 1 0 386.478 -1.125 20 0 GAADRO CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118300499 1073743304 /nfs/dbraw/zinc/74/33/04/1073743304.db2.gz VIUGSBNSHOSNMU-ZDUSSCGKSA-N 1 0 386.478 -1.125 20 0 GAADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001118300622 1073743281 /nfs/dbraw/zinc/74/32/81/1073743281.db2.gz 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C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1=O ZINC001118315662 1073744865 /nfs/dbraw/zinc/74/48/65/1073744865.db2.gz FETAHKUSSMPUCN-CQSZACIVSA-N 1 0 379.461 -1.512 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)CC1=O ZINC001118318980 1073744988 /nfs/dbraw/zinc/74/49/88/1073744988.db2.gz FTUPTBYYQSGVAV-UHFFFAOYSA-N 1 0 379.461 -1.653 20 0 GAADRO CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001118319221 1073745032 /nfs/dbraw/zinc/74/50/32/1073745032.db2.gz LPFZJCHIDZUSQI-UHFFFAOYSA-N 1 0 377.467 -2.774 20 0 GAADRO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001118320363 1073744800 /nfs/dbraw/zinc/74/48/00/1073744800.db2.gz VSYDHMJIWHYKBE-CYBMUJFWSA-N 1 0 390.506 -1.500 20 0 GAADRO CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001118320364 1073745089 /nfs/dbraw/zinc/74/50/89/1073745089.db2.gz VSYDHMJIWHYKBE-ZDUSSCGKSA-N 1 0 390.506 -1.500 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)CC1=O 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[NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001118510774 1073764070 /nfs/dbraw/zinc/76/40/70/1073764070.db2.gz LYHJTIOSZLOCIV-SOUVJXGZSA-N 1 0 393.488 -1.040 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC001118533190 1073766314 /nfs/dbraw/zinc/76/63/14/1073766314.db2.gz NUFUJNCHVWICJT-UHFFFAOYSA-N 1 0 389.522 -1.263 20 0 GAADRO COC(=O)N(C)CCN(C)C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001118542252 1073766692 /nfs/dbraw/zinc/76/66/92/1073766692.db2.gz PNRAOPDHLRNLPK-UHFFFAOYSA-N 1 0 379.421 -1.019 20 0 GAADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC[C@H]1F ZINC001118542285 1073766645 /nfs/dbraw/zinc/76/66/45/1073766645.db2.gz QVIQUPPGIVLUAC-VXGBXAGGSA-N 1 0 382.396 -1.422 20 0 GAADRO O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC001118543240 1073766842 /nfs/dbraw/zinc/76/68/42/1073766842.db2.gz YVPONBZMQBIIPI-CYBMUJFWSA-N 1 0 375.385 -1.046 20 0 GAADRO O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC001118543242 1073766762 /nfs/dbraw/zinc/76/67/62/1073766762.db2.gz YVPONBZMQBIIPI-ZDUSSCGKSA-N 1 0 375.385 -1.046 20 0 GAADRO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC001118545949 1073766829 /nfs/dbraw/zinc/76/68/29/1073766829.db2.gz KJBDQQWCHBAGRN-AWEZNQCLSA-N 1 0 397.453 -1.131 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001118546983 1073766732 /nfs/dbraw/zinc/76/67/32/1073766732.db2.gz RBZMDSZOLWEHRB-UHFFFAOYSA-N 1 0 376.483 -3.042 20 0 GAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cn1C ZINC001118547405 1073766836 /nfs/dbraw/zinc/76/68/36/1073766836.db2.gz ZCODAXZJIJDCJR-UHFFFAOYSA-N 1 0 382.450 -1.575 20 0 GAADRO C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC001118547531 1073766743 /nfs/dbraw/zinc/76/67/43/1073766743.db2.gz XXNLFMDQZWSSPF-OLZOCXBDSA-N 1 0 376.479 -1.650 20 0 GAADRO [NH3+]C1(CNC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCCC1 ZINC001118548506 1073766674 /nfs/dbraw/zinc/76/66/74/1073766674.db2.gz NBJURGLBKUGGRI-CYBMUJFWSA-N 1 0 390.506 -1.021 20 0 GAADRO [NH3+]C1(CNC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCCC1 ZINC001118548507 1073766723 /nfs/dbraw/zinc/76/67/23/1073766723.db2.gz NBJURGLBKUGGRI-ZDUSSCGKSA-N 1 0 390.506 -1.021 20 0 GAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCN(C(=O)N3CCOCC3)CC2)n1 ZINC001118548906 1073766818 /nfs/dbraw/zinc/76/68/18/1073766818.db2.gz UIIMVTAFCUXJGN-UHFFFAOYSA-N 1 0 379.421 -1.080 20 0 GAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(C3CCOCC3)CC2)n1 ZINC001118553348 1073767245 /nfs/dbraw/zinc/76/72/45/1073767245.db2.gz AMJRIFXRWIZHAT-UHFFFAOYSA-N 1 0 378.433 -1.420 20 0 GAADRO Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)N[C@H]3CC[NH2+]C3)no2)cn1 ZINC001118553513 1073767168 /nfs/dbraw/zinc/76/71/68/1073767168.db2.gz UFFDAKFWBUYYQT-NWDGAFQWSA-N 1 0 375.389 -1.152 20 0 GAADRO Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)N[C@H]3CC[NH2+]C3)no2)cn1 ZINC001118553514 1073767157 /nfs/dbraw/zinc/76/71/57/1073767157.db2.gz UFFDAKFWBUYYQT-RYUDHWBXSA-N 1 0 375.389 -1.152 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC001118553670 1073767408 /nfs/dbraw/zinc/76/74/08/1073767408.db2.gz IQTRPVVYIYBACQ-NEPJUHHUSA-N 1 0 376.479 -1.618 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC001118553671 1073767141 /nfs/dbraw/zinc/76/71/41/1073767141.db2.gz IQTRPVVYIYBACQ-NWDGAFQWSA-N 1 0 376.479 -1.618 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC001118553672 1073767276 /nfs/dbraw/zinc/76/72/76/1073767276.db2.gz IQTRPVVYIYBACQ-RYUDHWBXSA-N 1 0 376.479 -1.618 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC001118553673 1073767317 /nfs/dbraw/zinc/76/73/17/1073767317.db2.gz IQTRPVVYIYBACQ-VXGBXAGGSA-N 1 0 376.479 -1.618 20 0 GAADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001118556017 1073767202 /nfs/dbraw/zinc/76/72/02/1073767202.db2.gz KFWJXODCGGUNAQ-AWEZNQCLSA-N 1 0 389.522 -1.072 20 0 GAADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001118556018 1073767286 /nfs/dbraw/zinc/76/72/86/1073767286.db2.gz KFWJXODCGGUNAQ-CQSZACIVSA-N 1 0 389.522 -1.072 20 0 GAADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001118556288 1073767993 /nfs/dbraw/zinc/76/79/93/1073767993.db2.gz MOPKCKZKDUMRSP-UHFFFAOYSA-N 1 0 389.522 -1.072 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC001118560121 1073768438 /nfs/dbraw/zinc/76/84/38/1073768438.db2.gz BJLMBMWWUFIFEI-UHFFFAOYSA-N 1 0 375.495 -1.463 20 0 GAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC001118560247 1073768277 /nfs/dbraw/zinc/76/82/77/1073768277.db2.gz FYJZVNBGJJULQV-CYBMUJFWSA-N 1 0 391.494 -2.226 20 0 GAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC001118560248 1073768559 /nfs/dbraw/zinc/76/85/59/1073768559.db2.gz FYJZVNBGJJULQV-ZDUSSCGKSA-N 1 0 391.494 -2.226 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC001118569904 1073769472 /nfs/dbraw/zinc/76/94/72/1073769472.db2.gz QZXFRTZDGZJULU-UHFFFAOYSA-N 1 0 375.495 -1.476 20 0 GAADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC001118571671 1073769606 /nfs/dbraw/zinc/76/96/06/1073769606.db2.gz HONFEVDMTUZUDJ-UHFFFAOYSA-N 1 0 377.489 -1.051 20 0 GAADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[C@H]1F ZINC001118571834 1073769532 /nfs/dbraw/zinc/76/95/32/1073769532.db2.gz JIMKXKXTUJEBKF-CHWSQXEVSA-N 1 0 383.424 -1.823 20 0 GAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[C@H]1[NH3+] ZINC001118574011 1073769465 /nfs/dbraw/zinc/76/94/65/1073769465.db2.gz NFUKOVWBXTXTBV-CHWSQXEVSA-N 1 0 375.495 -1.477 20 0 GAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[C@@H]1[NH3+] ZINC001118574014 1073769628 /nfs/dbraw/zinc/76/96/28/1073769628.db2.gz NFUKOVWBXTXTBV-OLZOCXBDSA-N 1 0 375.495 -1.477 20 0 GAADRO CC[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[C@H]1[NH3+] ZINC001118574015 1073769458 /nfs/dbraw/zinc/76/94/58/1073769458.db2.gz NFUKOVWBXTXTBV-QWHCGFSZSA-N 1 0 375.495 -1.477 20 0 GAADRO CC[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[C@@H]1[NH3+] ZINC001118574016 1073770088 /nfs/dbraw/zinc/77/00/88/1073770088.db2.gz NFUKOVWBXTXTBV-STQMWFEESA-N 1 0 375.495 -1.477 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(N)=O ZINC001118574440 1073770105 /nfs/dbraw/zinc/77/01/05/1073770105.db2.gz ICAVVFUUMASITC-HIFRSBDPSA-N 1 0 391.476 -1.095 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(N)=O ZINC001118574443 1073770166 /nfs/dbraw/zinc/77/01/66/1073770166.db2.gz ICAVVFUUMASITC-ZFWWWQNUSA-N 1 0 391.476 -1.095 20 0 GAADRO O=C(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[C@H](CN2CCCC2=O)C1 ZINC001118574728 1073770159 /nfs/dbraw/zinc/77/01/59/1073770159.db2.gz KSNYSGMPPCLTPJ-CVEARBPZSA-N 1 0 377.489 -1.037 20 0 GAADRO O=C(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC001118574729 1073770097 /nfs/dbraw/zinc/77/00/97/1073770097.db2.gz KSNYSGMPPCLTPJ-HOTGVXAUSA-N 1 0 377.489 -1.037 20 0 GAADRO O=C(C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[C@H](CN2CCCC2=O)C1 ZINC001118574730 1073770175 /nfs/dbraw/zinc/77/01/75/1073770175.db2.gz KSNYSGMPPCLTPJ-HZPDHXFCSA-N 1 0 377.489 -1.037 20 0 GAADRO O=C(C(=O)N1CC[C@@H](CN2CCCC2=O)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118574731 1073770016 /nfs/dbraw/zinc/77/00/16/1073770016.db2.gz KSNYSGMPPCLTPJ-JKSUJKDBSA-N 1 0 377.489 -1.037 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CCN1S(C)(=O)=O ZINC001118574850 1073769992 /nfs/dbraw/zinc/76/99/92/1073769992.db2.gz YBPIEMRLAZSSJA-CYBMUJFWSA-N 1 0 390.506 -1.165 20 0 GAADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001118588389 1073770614 /nfs/dbraw/zinc/77/06/14/1073770614.db2.gz SOBCWQFEKULBDZ-KBPBESRZSA-N 1 0 390.506 -1.943 20 0 GAADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001118588393 1073770643 /nfs/dbraw/zinc/77/06/43/1073770643.db2.gz SOBCWQFEKULBDZ-KGLIPLIRSA-N 1 0 390.506 -1.943 20 0 GAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001118588395 1073770635 /nfs/dbraw/zinc/77/06/35/1073770635.db2.gz SOBCWQFEKULBDZ-UONOGXRCSA-N 1 0 390.506 -1.943 20 0 GAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001118588397 1073770583 /nfs/dbraw/zinc/77/05/83/1073770583.db2.gz SOBCWQFEKULBDZ-ZIAGYGMSSA-N 1 0 390.506 -1.943 20 0 GAADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001118599999 1073771573 /nfs/dbraw/zinc/77/15/73/1073771573.db2.gz RYPPZVCJVMZSDZ-BFHYXJOUSA-N 1 0 390.506 -2.086 20 0 GAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001118600016 1073771612 /nfs/dbraw/zinc/77/16/12/1073771612.db2.gz RYPPZVCJVMZSDZ-HZSPNIEDSA-N 1 0 390.506 -2.086 20 0 GAADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001118600208 1073771670 /nfs/dbraw/zinc/77/16/70/1073771670.db2.gz RYPPZVCJVMZSDZ-MELADBBJSA-N 1 0 390.506 -2.086 20 0 GAADRO 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C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)CNC2=O)CCO1 ZINC001118612900 1073772691 /nfs/dbraw/zinc/77/26/91/1073772691.db2.gz USZYNSVZRFXDHP-CYBMUJFWSA-N 1 0 383.449 -1.386 20 0 GAADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCCN2C(=O)CNC2=O)CCO1 ZINC001118612901 1073772669 /nfs/dbraw/zinc/77/26/69/1073772669.db2.gz USZYNSVZRFXDHP-ZDUSSCGKSA-N 1 0 383.449 -1.386 20 0 GAADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001118617947 1073773260 /nfs/dbraw/zinc/77/32/60/1073773260.db2.gz FFBFBNGMBKHLSY-UHFFFAOYSA-N 1 0 375.495 -1.463 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001118619985 1073773368 /nfs/dbraw/zinc/77/33/68/1073773368.db2.gz OUMSLBQCMSZCQF-CYBMUJFWSA-N 1 0 387.506 -1.463 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001118619986 1073773284 /nfs/dbraw/zinc/77/32/84/1073773284.db2.gz OUMSLBQCMSZCQF-ZDUSSCGKSA-N 1 0 387.506 -1.463 20 0 GAADRO CN(CCCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)S(C)(=O)=O ZINC001118622282 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COC(=O)[C@]1(N2CCN(C(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)CC2)CCOC1 ZINC001118831153 1073791120 /nfs/dbraw/zinc/79/11/20/1073791120.db2.gz PXVBBNISZOSSHE-KXBFYZLASA-N 1 0 396.488 -1.127 20 0 GAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001118833164 1073791629 /nfs/dbraw/zinc/79/16/29/1073791629.db2.gz IRQYWQOQRJAJSY-QWHCGFSZSA-N 1 0 386.474 -2.100 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H](C)O1 ZINC001118833167 1073791649 /nfs/dbraw/zinc/79/16/49/1073791649.db2.gz IVZSVUGAMOLTCW-OLZOCXBDSA-N 1 0 384.433 -1.992 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)CC1=O ZINC001118833404 1073791687 /nfs/dbraw/zinc/79/16/87/1073791687.db2.gz KBILEVQDGUNNDS-HDICACEKSA-N 1 0 384.477 -1.942 20 0 GAADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC001118840854 1073793235 /nfs/dbraw/zinc/79/32/35/1073793235.db2.gz HJISYGSJHMYZBE-CYBMUJFWSA-N 1 0 388.490 -1.411 20 0 GAADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC001118840855 1073793226 /nfs/dbraw/zinc/79/32/26/1073793226.db2.gz HJISYGSJHMYZBE-ZDUSSCGKSA-N 1 0 388.490 -1.411 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)S(N)(=O)=O ZINC001118861699 1073794187 /nfs/dbraw/zinc/79/41/87/1073794187.db2.gz AIPMPLLYELZAIN-AAEUAGOBSA-N 1 0 376.479 -1.603 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)S(N)(=O)=O ZINC001118861700 1073794134 /nfs/dbraw/zinc/79/41/34/1073794134.db2.gz AIPMPLLYELZAIN-DGCLKSJQSA-N 1 0 376.479 -1.603 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)S(N)(=O)=O ZINC001118861701 1073794399 /nfs/dbraw/zinc/79/43/99/1073794399.db2.gz AIPMPLLYELZAIN-WCQYABFASA-N 1 0 376.479 -1.603 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)S(N)(=O)=O ZINC001118861702 1073794230 /nfs/dbraw/zinc/79/42/30/1073794230.db2.gz AIPMPLLYELZAIN-YPMHNXCESA-N 1 0 376.479 -1.603 20 0 GAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC001118861775 1073794199 /nfs/dbraw/zinc/79/41/99/1073794199.db2.gz CUTVVNZQZLPRSW-UHFFFAOYSA-N 1 0 392.416 -1.735 20 0 GAADRO Cn1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC001118861837 1073794320 /nfs/dbraw/zinc/79/43/20/1073794320.db2.gz QBGOWSDGKPTPNM-NEPJUHHUSA-N 1 0 375.429 -1.143 20 0 GAADRO Cn1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC001118861841 1073794149 /nfs/dbraw/zinc/79/41/49/1073794149.db2.gz QBGOWSDGKPTPNM-NWDGAFQWSA-N 1 0 375.429 -1.143 20 0 GAADRO Cn1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC001118861844 1073794238 /nfs/dbraw/zinc/79/42/38/1073794238.db2.gz QBGOWSDGKPTPNM-RYUDHWBXSA-N 1 0 375.429 -1.143 20 0 GAADRO Cn1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC001118861845 1073794343 /nfs/dbraw/zinc/79/43/43/1073794343.db2.gz QBGOWSDGKPTPNM-VXGBXAGGSA-N 1 0 375.429 -1.143 20 0 GAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC001118862128 1073794292 /nfs/dbraw/zinc/79/42/92/1073794292.db2.gz IUURZLQPZUMWGH-UHFFFAOYSA-N 1 0 396.448 -1.625 20 0 GAADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)cnc2n(C)c1=O ZINC001118862567 1073794366 /nfs/dbraw/zinc/79/43/66/1073794366.db2.gz QZSMXWGAZSWTRJ-JTQLQIEISA-N 1 0 376.373 -2.325 20 0 GAADRO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)cnc2n(C)c1=O ZINC001118862568 1073794268 /nfs/dbraw/zinc/79/42/68/1073794268.db2.gz QZSMXWGAZSWTRJ-SNVBAGLBSA-N 1 0 376.373 -2.325 20 0 GAADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC001118862770 1073794116 /nfs/dbraw/zinc/79/41/16/1073794116.db2.gz XBXZMFCJUWJLJR-CYBMUJFWSA-N 1 0 396.473 -1.420 20 0 GAADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC001118864836 1073794743 /nfs/dbraw/zinc/79/47/43/1073794743.db2.gz GAWWHGVMCCGRQS-GFCCVEGCSA-N 1 0 386.474 -1.279 20 0 GAADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 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VISITAXIZPMQHE-DNVCBOLYSA-N 1 0 394.472 -1.183 20 0 GAADRO O=C(NC[C@]12COCCN1C(=O)COC2)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001119153797 1073820565 /nfs/dbraw/zinc/82/05/65/1073820565.db2.gz VISITAXIZPMQHE-HNAYVOBHSA-N 1 0 394.472 -1.183 20 0 GAADRO O=C(NC[C@@]12COCCN1C(=O)COC2)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001119153798 1073820576 /nfs/dbraw/zinc/82/05/76/1073820576.db2.gz VISITAXIZPMQHE-KXBFYZLASA-N 1 0 394.472 -1.183 20 0 GAADRO CCN1CC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1=O ZINC001119173223 1073820208 /nfs/dbraw/zinc/82/02/08/1073820208.db2.gz BXWVITKNUWOJJY-HNNXBMFYSA-N 1 0 395.504 -1.364 20 0 GAADRO CCN1CC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1=O ZINC001119173226 1073820649 /nfs/dbraw/zinc/82/06/49/1073820649.db2.gz BXWVITKNUWOJJY-OAHLLOKOSA-N 1 0 395.504 -1.364 20 0 GAADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001119181430 1073820227 /nfs/dbraw/zinc/82/02/27/1073820227.db2.gz QGZNDZOWMKVAQC-UHFFFAOYSA-N 1 0 376.479 -1.683 20 0 GAADRO 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ZINC001119203813 1073821108 /nfs/dbraw/zinc/82/11/08/1073821108.db2.gz ZZATVECGSLNVLW-UHFFFAOYSA-N 1 0 376.527 -1.196 20 0 GAADRO CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC001119240803 1073821286 /nfs/dbraw/zinc/82/12/86/1073821286.db2.gz RYCCTPVYALBATD-AWEZNQCLSA-N 1 0 379.461 -1.512 20 0 GAADRO CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC001119240804 1073820885 /nfs/dbraw/zinc/82/08/85/1073820885.db2.gz RYCCTPVYALBATD-CQSZACIVSA-N 1 0 379.461 -1.512 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC001119293764 1073821619 /nfs/dbraw/zinc/82/16/19/1073821619.db2.gz WUUKUBKVBPCUFU-UHFFFAOYSA-N 1 0 387.506 -1.318 20 0 GAADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 ZINC001119293852 1073821873 /nfs/dbraw/zinc/82/18/73/1073821873.db2.gz IFVIGOJWDIMPGV-CYBMUJFWSA-N 1 0 377.511 -1.169 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC001119294267 1073821930 /nfs/dbraw/zinc/82/19/30/1073821930.db2.gz RCPZETIJCXMKGE-AWEZNQCLSA-N 1 0 389.522 -1.025 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC001119294268 1073821723 /nfs/dbraw/zinc/82/17/23/1073821723.db2.gz RCPZETIJCXMKGE-CQSZACIVSA-N 1 0 389.522 -1.025 20 0 GAADRO C[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001119294753 1073821742 /nfs/dbraw/zinc/82/17/42/1073821742.db2.gz IMVKAQGHVGFODQ-NSHDSACASA-N 1 0 386.478 -1.457 20 0 GAADRO C[S@@](=O)C1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC001119295077 1073821824 /nfs/dbraw/zinc/82/18/24/1073821824.db2.gz CFAJFLQKJMMYCC-AREMUKBSSA-N 1 0 384.502 -1.220 20 0 GAADRO C[S@](=O)C1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC001119295078 1073822369 /nfs/dbraw/zinc/82/23/69/1073822369.db2.gz CFAJFLQKJMMYCC-SANMLTNESA-N 1 0 384.502 -1.220 20 0 GAADRO C[S@@](=O)C1(C(=O)NCCS(=O)(=O)N2CCSCC2)CC[NH2+]CC1 ZINC001119295297 1074899103 /nfs/dbraw/zinc/89/91/03/1074899103.db2.gz HCQAWABLKKGMOF-JOCHJYFZSA-N 1 0 383.561 -1.018 20 0 GAADRO C[S@](=O)C1(C(=O)NCCS(=O)(=O)N2CCSCC2)CC[NH2+]CC1 ZINC001119295299 1074898917 /nfs/dbraw/zinc/89/89/17/1074898917.db2.gz HCQAWABLKKGMOF-QFIPXVFZSA-N 1 0 383.561 -1.018 20 0 GAADRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC001119295563 1073822514 /nfs/dbraw/zinc/82/25/14/1073822514.db2.gz VPRFIOOMNLPDPJ-AWEZNQCLSA-N 1 0 391.476 -1.185 20 0 GAADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 ZINC001119297592 1073822195 /nfs/dbraw/zinc/82/21/95/1073822195.db2.gz QLTQDXMOJMEGFB-UONOGXRCSA-N 1 0 389.522 -1.026 20 0 GAADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001119306621 1073822339 /nfs/dbraw/zinc/82/23/39/1073822339.db2.gz SHOJRAWVXICGEN-UHFFFAOYSA-N 1 0 389.522 -1.768 20 0 GAADRO COC(=O)[C@H]1CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC[N@H+](C)C1 ZINC001119312988 1073822552 /nfs/dbraw/zinc/82/25/52/1073822552.db2.gz PBAHQLUJZCVZAY-CYBMUJFWSA-N 1 0 390.506 -1.437 20 0 GAADRO COC(=O)[C@@H]1CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC[N@H+](C)C1 ZINC001119312989 1073822128 /nfs/dbraw/zinc/82/21/28/1073822128.db2.gz PBAHQLUJZCVZAY-ZDUSSCGKSA-N 1 0 390.506 -1.437 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(C(=O)NCCO)CC2)CC1 ZINC001119328733 1073823121 /nfs/dbraw/zinc/82/31/21/1073823121.db2.gz UYVIIDRWXJDYCK-UHFFFAOYSA-N 1 0 383.493 -1.961 20 0 GAADRO COCC[NH2+]CCc1cn(CC(=O)N2CCN(CC(=O)N(C)C)CC2)nn1 ZINC001119332965 1073823201 /nfs/dbraw/zinc/82/32/01/1073823201.db2.gz JWGVQGOJNSXXJT-UHFFFAOYSA-N 1 0 381.481 -1.711 20 0 GAADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119343841 1073822852 /nfs/dbraw/zinc/82/28/52/1073822852.db2.gz QATHJGSOUVUYGC-CABCVRRESA-N 1 0 386.518 -1.036 20 0 GAADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119343842 1073823172 /nfs/dbraw/zinc/82/31/72/1073823172.db2.gz QATHJGSOUVUYGC-GJZGRUSLSA-N 1 0 386.518 -1.036 20 0 GAADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001119343843 1073822948 /nfs/dbraw/zinc/82/29/48/1073822948.db2.gz QATHJGSOUVUYGC-HUUCEWRRSA-N 1 0 386.518 -1.036 20 0 GAADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001119343844 1073823025 /nfs/dbraw/zinc/82/30/25/1073823025.db2.gz QATHJGSOUVUYGC-LSDHHAIUSA-N 1 0 386.518 -1.036 20 0 GAADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001119347171 1073822931 /nfs/dbraw/zinc/82/29/31/1073822931.db2.gz KFQJYWFJGIOXEN-OAHLLOKOSA-N 1 0 393.488 -1.120 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC001119350527 1073822919 /nfs/dbraw/zinc/82/29/19/1073822919.db2.gz CBBDAGJGSYETKY-CHWSQXEVSA-N 1 0 377.511 -1.041 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC001119350528 1073822897 /nfs/dbraw/zinc/82/28/97/1073822897.db2.gz CBBDAGJGSYETKY-OLZOCXBDSA-N 1 0 377.511 -1.041 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC001119350529 1073823161 /nfs/dbraw/zinc/82/31/61/1073823161.db2.gz CBBDAGJGSYETKY-QWHCGFSZSA-N 1 0 377.511 -1.041 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC001119350530 1073823145 /nfs/dbraw/zinc/82/31/45/1073823145.db2.gz CBBDAGJGSYETKY-STQMWFEESA-N 1 0 377.511 -1.041 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC001119350576 1073823016 /nfs/dbraw/zinc/82/30/16/1073823016.db2.gz DFLJIOGKCQUKMS-ZDUSSCGKSA-N 1 0 375.495 -1.415 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC001119351392 1073823054 /nfs/dbraw/zinc/82/30/54/1073823054.db2.gz TYJYXQDCJJTLRG-UHFFFAOYSA-N 1 0 389.522 -1.025 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC001119351578 1073823005 /nfs/dbraw/zinc/82/30/05/1073823005.db2.gz XEDPPAAEWVQJPX-CYBMUJFWSA-N 1 0 377.511 -1.311 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC001119351579 1073822880 /nfs/dbraw/zinc/82/28/80/1073822880.db2.gz XEDPPAAEWVQJPX-ZDUSSCGKSA-N 1 0 377.511 -1.311 20 0 GAADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001119352070 1073823104 /nfs/dbraw/zinc/82/31/04/1073823104.db2.gz IHRVACRKLKIBBM-JTQLQIEISA-N 1 0 387.462 -1.022 20 0 GAADRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001119352630 1073822973 /nfs/dbraw/zinc/82/29/73/1073822973.db2.gz OIAFUQRUOVYAHE-ZDUSSCGKSA-N 1 0 390.510 -2.524 20 0 GAADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001119353172 1073823717 /nfs/dbraw/zinc/82/37/17/1073823717.db2.gz UYQHTVQREJOQNQ-ZDUSSCGKSA-N 1 0 378.495 -1.261 20 0 GAADRO CCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC001119362912 1073823902 /nfs/dbraw/zinc/82/39/02/1073823902.db2.gz RKKMVFRWYPJYSZ-GHMZBOCLSA-N 1 0 379.383 -1.324 20 0 GAADRO CCN1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC001119362913 1073823793 /nfs/dbraw/zinc/82/37/93/1073823793.db2.gz RKKMVFRWYPJYSZ-MNOVXSKESA-N 1 0 379.383 -1.324 20 0 GAADRO 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WKQJMZJMCARZGI-AEGPPILISA-N 1 0 386.518 -1.037 20 0 GAADRO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001120421293 1073837353 /nfs/dbraw/zinc/83/73/53/1073837353.db2.gz WKQJMZJMCARZGI-YUELXQCFSA-N 1 0 386.518 -1.037 20 0 GAADRO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001120428572 1073837683 /nfs/dbraw/zinc/83/76/83/1073837683.db2.gz UWQBCOAZDHPHJD-CABCVRRESA-N 1 0 384.502 -1.426 20 0 GAADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001120428834 1073837761 /nfs/dbraw/zinc/83/77/61/1073837761.db2.gz LHDCOOMEAVMQBN-CABCVRRESA-N 1 0 384.502 -1.426 20 0 GAADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCOC[C@H]1CCO ZINC001120431677 1073837797 /nfs/dbraw/zinc/83/77/97/1073837797.db2.gz ATHNXSWKODKQNQ-NEPJUHHUSA-N 1 0 382.383 -1.452 20 0 GAADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCOC[C@@H]1CCO ZINC001120431681 1073837737 /nfs/dbraw/zinc/83/77/37/1073837737.db2.gz ATHNXSWKODKQNQ-NWDGAFQWSA-N 1 0 382.383 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O=C(C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001120444849 1073838217 /nfs/dbraw/zinc/83/82/17/1073838217.db2.gz FKDZADFUUWSWAX-KGLIPLIRSA-N 1 0 385.490 -1.709 20 0 GAADRO O=C(C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001120444850 1073838497 /nfs/dbraw/zinc/83/84/97/1073838497.db2.gz FKDZADFUUWSWAX-UONOGXRCSA-N 1 0 385.490 -1.709 20 0 GAADRO O=C(C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001120444851 1073838410 /nfs/dbraw/zinc/83/84/10/1073838410.db2.gz FKDZADFUUWSWAX-ZIAGYGMSSA-N 1 0 385.490 -1.709 20 0 GAADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001120450074 1073838482 /nfs/dbraw/zinc/83/84/82/1073838482.db2.gz LYOLGPCYHZPPOJ-CYBMUJFWSA-N 1 0 375.495 -1.463 20 0 GAADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001120450075 1073838287 /nfs/dbraw/zinc/83/82/87/1073838287.db2.gz LYOLGPCYHZPPOJ-ZDUSSCGKSA-N 1 0 375.495 -1.463 20 0 GAADRO O=C(NCCNS(=O)(=O)Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 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/nfs/dbraw/zinc/83/97/19/1073839719.db2.gz PJCADFWMARAGBQ-UHFFFAOYSA-N 1 0 391.472 -1.414 20 0 GAADRO CN(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001120510227 1073839669 /nfs/dbraw/zinc/83/96/69/1073839669.db2.gz ZRVVPQZHEGTUAM-CABCVRRESA-N 1 0 381.477 -1.130 20 0 GAADRO CN(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001120510228 1073839695 /nfs/dbraw/zinc/83/96/95/1073839695.db2.gz ZRVVPQZHEGTUAM-GJZGRUSLSA-N 1 0 381.477 -1.130 20 0 GAADRO CN(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001120510229 1073839639 /nfs/dbraw/zinc/83/96/39/1073839639.db2.gz ZRVVPQZHEGTUAM-HUUCEWRRSA-N 1 0 381.477 -1.130 20 0 GAADRO CN(C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001120510230 1073840399 /nfs/dbraw/zinc/84/03/99/1073840399.db2.gz ZRVVPQZHEGTUAM-LSDHHAIUSA-N 1 0 381.477 -1.130 20 0 GAADRO O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001120510231 1073840309 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AUHJMNUXCQPHBV-UHFFFAOYSA-N 1 0 390.444 -1.195 20 0 GAADRO [NH3+]C1CCN(CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC001120649942 1073840913 /nfs/dbraw/zinc/84/09/13/1073840913.db2.gz VJSOQKUZWQAMRR-UHFFFAOYSA-N 1 0 382.509 -1.405 20 0 GAADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001120698546 1073840846 /nfs/dbraw/zinc/84/08/46/1073840846.db2.gz OMZKJECAQGIVDI-UHFFFAOYSA-N 1 0 380.445 -1.490 20 0 GAADRO O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1)N1CCCCC1 ZINC001121900030 1073842996 /nfs/dbraw/zinc/84/29/96/1073842996.db2.gz ACAYFNZUKYEJEJ-HNNXBMFYSA-N 1 0 377.489 -1.037 20 0 GAADRO O=C(CN1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1)N1CCCCC1 ZINC001121900036 1073842955 /nfs/dbraw/zinc/84/29/55/1073842955.db2.gz ACAYFNZUKYEJEJ-OAHLLOKOSA-N 1 0 377.489 -1.037 20 0 GAADRO O=C(CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1)N1CCCC1 ZINC001121901656 1073842828 /nfs/dbraw/zinc/84/28/28/1073842828.db2.gz RPMRKZZXQVEEHX-YOEHRIQHSA-N 1 0 384.502 -1.613 20 0 GAADRO 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-2.271 20 0 GAADRO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129850220 1075020495 /nfs/dbraw/zinc/02/04/95/1075020495.db2.gz SJAXDXMFOPNMLW-TUVASFSCSA-N 1 0 380.449 -1.457 20 0 GAADRO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129855710 1075020825 /nfs/dbraw/zinc/02/08/25/1075020825.db2.gz QBTYECQJIAMZBL-XFMPKHEZSA-N 1 0 393.448 -1.124 20 0 GAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129858489 1075020987 /nfs/dbraw/zinc/02/09/87/1075020987.db2.gz XZQYDCPYEBVNRV-KRXQYRFLSA-N 1 0 392.460 -1.191 20 0 GAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129863704 1075020876 /nfs/dbraw/zinc/02/08/76/1075020876.db2.gz GWUGEVIPDYHYRI-DFGXFYAUSA-N 1 0 392.460 -1.191 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129864006 1075020836 /nfs/dbraw/zinc/02/08/36/1075020836.db2.gz NLJVUNWXERFHKW-XFMPKHEZSA-N 1 0 384.462 -1.795 20 0 GAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129864020 1075021026 /nfs/dbraw/zinc/02/10/26/1075021026.db2.gz NSRLVBYEWUNIMV-KRXQYRFLSA-N 1 0 392.460 -1.191 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129864062 1075020954 /nfs/dbraw/zinc/02/09/54/1075020954.db2.gz ORIHOVVUPAVFPI-BUWBCJGYSA-N 1 0 377.405 -1.888 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129864218 1075021010 /nfs/dbraw/zinc/02/10/10/1075021010.db2.gz UWBDCRHGCODVMI-LKQDWFRTSA-N 1 0 391.432 -1.498 20 0 GAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 ZINC001129897536 1075021512 /nfs/dbraw/zinc/02/15/12/1075021512.db2.gz AETGNKXSEQQMJT-FQLMCAECSA-N 1 0 380.449 -1.098 20 0 GAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 ZINC001129897541 1075021288 /nfs/dbraw/zinc/02/12/88/1075021288.db2.gz AKFXXJPZONSEKR-FQLMCAECSA-N 1 0 380.449 -1.052 20 0 GAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129897837 1075021306 /nfs/dbraw/zinc/02/13/06/1075021306.db2.gz JSZMGPTZOCNOSU-GUSZCTEKSA-N 1 0 392.460 -1.050 20 0 GAADRO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129898065 1075021774 /nfs/dbraw/zinc/02/17/74/1075021774.db2.gz LPIZRRRJKNLTMP-NMKXLXIOSA-N 1 0 379.421 -1.370 20 0 GAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129898380 1075021855 /nfs/dbraw/zinc/02/18/55/1075021855.db2.gz SGIJQFODBZRUAY-NOHGZBONSA-N 1 0 381.393 -2.382 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001129898432 1075021876 /nfs/dbraw/zinc/02/18/76/1075021876.db2.gz VHULGGCNCVIGBZ-WFFHOREQSA-N 1 0 387.404 -1.659 20 0 GAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129898563 1075021796 /nfs/dbraw/zinc/02/17/96/1075021796.db2.gz XFIPDLPOXDYWOY-AEIGPULVSA-N 1 0 378.433 -1.298 20 0 GAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129898578 1075021760 /nfs/dbraw/zinc/02/17/60/1075021760.db2.gz XTTLGKPBRSVGGJ-UKMLZYKCSA-N 1 0 392.460 -1.050 20 0 GAADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129898586 1075021767 /nfs/dbraw/zinc/02/17/67/1075021767.db2.gz YFJDTBDXMHDPCX-CRWXNKLISA-N 1 0 387.462 -1.532 20 0 GAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 ZINC001129898644 1075021807 /nfs/dbraw/zinc/02/18/07/1075021807.db2.gz ZZLIJFSIGLZNCX-FQLMCAECSA-N 1 0 380.449 -1.050 20 0 GAADRO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129899838 1075021784 /nfs/dbraw/zinc/02/17/84/1075021784.db2.gz OEJKVRRWTADXDB-CXTNEJHOSA-N 1 0 393.448 -1.110 20 0 GAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912373 1075020917 /nfs/dbraw/zinc/02/09/17/1075020917.db2.gz BIRUCPSBVUSFON-LVQVYYBASA-N 1 0 393.492 -1.183 20 0 GAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NC3CC3)[C@@H](n3ccnn3)C2)O1 ZINC001129912385 1075021499 /nfs/dbraw/zinc/02/14/99/1075021499.db2.gz CBEKNTITFZSRTD-DMRZNYOFSA-N 1 0 391.476 -1.383 20 0 GAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912455 1075021421 /nfs/dbraw/zinc/02/14/21/1075021421.db2.gz HDELVONHYSAOOG-LVQVYYBASA-N 1 0 393.492 -1.135 20 0 GAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912459 1075021390 /nfs/dbraw/zinc/02/13/90/1075021390.db2.gz HHGUICQTMYEXQV-APIJFGDWSA-N 1 0 379.465 -1.525 20 0 GAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912478 1075021317 /nfs/dbraw/zinc/02/13/17/1075021317.db2.gz JIZYEEVVXGEDKW-LVQVYYBASA-N 1 0 393.492 -1.137 20 0 GAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)O1 ZINC001129912492 1075021492 /nfs/dbraw/zinc/02/14/92/1075021492.db2.gz KNUGPQPPSFAHSO-LVQVYYBASA-N 1 0 382.465 -1.652 20 0 GAADRO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n3ccnn3)C2)O1 ZINC001129912560 1075021265 /nfs/dbraw/zinc/02/12/65/1075021265.db2.gz OGVUIYZHJKOXQK-APIJFGDWSA-N 1 0 379.465 -1.573 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1n1ccnn1 ZINC001129930434 1075022181 /nfs/dbraw/zinc/02/21/81/1075022181.db2.gz HESWTGKFBDVBAP-ZHRONYKTSA-N 1 0 391.432 -1.226 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129937853 1075021817 /nfs/dbraw/zinc/02/18/17/1075021817.db2.gz IGSUKFWOQQKRSF-BLSKBVOTSA-N 1 0 389.416 -1.762 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)O1 ZINC001129938263 1075021721 /nfs/dbraw/zinc/02/17/21/1075021721.db2.gz UFROROSSTZEWNB-KBXIAJHMSA-N 1 0 380.449 -1.185 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001129938379 1075021705 /nfs/dbraw/zinc/02/17/05/1075021705.db2.gz WDQXRUVMGGPKIP-MQYQWHSLSA-N 1 0 393.448 -1.821 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001129938459 1075021694 /nfs/dbraw/zinc/02/16/94/1075021694.db2.gz ZMSKCRODYZTJJZ-CXTNEJHOSA-N 1 0 391.432 -1.370 20 0 GAADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129939394 1075021828 /nfs/dbraw/zinc/02/18/28/1075021828.db2.gz DRNANFXQEXTPNH-ZOFXXKQRSA-N 1 0 395.460 -1.320 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001129939711 1075021836 /nfs/dbraw/zinc/02/18/36/1075021836.db2.gz SRAOGXASQOYJSR-JHZZJYKESA-N 1 0 378.433 -1.583 20 0 GAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001129939744 1075021865 /nfs/dbraw/zinc/02/18/65/1075021865.db2.gz UYQDSGFIUNRISV-KSXIZUIISA-N 1 0 392.460 -1.241 20 0 GAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001129939757 1075022307 /nfs/dbraw/zinc/02/23/07/1075022307.db2.gz VWBVDOOSAIRZMI-KSXIZUIISA-N 1 0 392.460 -1.193 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1 ZINC001129939854 1075022236 /nfs/dbraw/zinc/02/22/36/1075022236.db2.gz ZNFURVPURPGVMJ-DKBOKBLXSA-N 1 0 391.432 -1.370 20 0 GAADRO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129941117 1075022260 /nfs/dbraw/zinc/02/22/60/1075022260.db2.gz KHQOZNKKOLVHIW-MQYQWHSLSA-N 1 0 393.448 -1.110 20 0 GAADRO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129941231 1075022217 /nfs/dbraw/zinc/02/22/17/1075022217.db2.gz POPIEQUDHARNQU-NDBYEHHHSA-N 1 0 379.421 -1.370 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H]1n1ccnn1 ZINC001130006130 1075022607 /nfs/dbraw/zinc/02/26/07/1075022607.db2.gz UNISRRVETBKEIE-ZOBORPQBSA-N 1 0 393.448 -1.999 20 0 GAADRO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H]1n1ccnn1 ZINC001130006207 1075022533 /nfs/dbraw/zinc/02/25/33/1075022533.db2.gz XTUPBBKTUXIZAO-CBBWQLFWSA-N 1 0 380.449 -1.098 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001130007127 1075022598 /nfs/dbraw/zinc/02/25/98/1075022598.db2.gz ASDYMEKNTCSUGC-RQJABVFESA-N 1 0 375.433 -1.733 20 0 GAADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)O1 ZINC001130007134 1075022638 /nfs/dbraw/zinc/02/26/38/1075022638.db2.gz BDZJANRRYUQMDK-CBBWQLFWSA-N 1 0 380.449 -1.362 20 0 GAADRO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007194 1075022643 /nfs/dbraw/zinc/02/26/43/1075022643.db2.gz CWVIYXWSDNPXBC-RQJABVFESA-N 1 0 393.448 -2.106 20 0 GAADRO CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007196 1075022588 /nfs/dbraw/zinc/02/25/88/1075022588.db2.gz DDLIQKUTUICGAC-RQJABVFESA-N 1 0 377.449 -1.487 20 0 GAADRO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007209 1075022672 /nfs/dbraw/zinc/02/26/72/1075022672.db2.gz DSFVFCCATGEGJV-RQJABVFESA-N 1 0 393.448 -2.106 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007216 1075022519 /nfs/dbraw/zinc/02/25/19/1075022519.db2.gz DWHSNNVAPOXAGK-KXNHARMFSA-N 1 0 385.450 -2.710 20 0 GAADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007248 1075022629 /nfs/dbraw/zinc/02/26/29/1075022629.db2.gz GJRZSPTXNZGONC-RQJABVFESA-N 1 0 392.464 -1.551 20 0 GAADRO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007256 1075022581 /nfs/dbraw/zinc/02/25/81/1075022581.db2.gz GMWOQCAHWOABAB-BARDWOONSA-N 1 0 393.448 -2.106 20 0 GAADRO CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007267 1075022503 /nfs/dbraw/zinc/02/25/03/1075022503.db2.gz GYDPVCHRWAZYJD-RQJABVFESA-N 1 0 377.449 -1.343 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001130007273 1075022650 /nfs/dbraw/zinc/02/26/50/1075022650.db2.gz HGIQUVWPZPZLDY-BARDWOONSA-N 1 0 389.460 -1.247 20 0 GAADRO CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1)C1CC1 ZINC001130007278 1075022555 /nfs/dbraw/zinc/02/25/55/1075022555.db2.gz HJHFAONYLWEFNZ-BARDWOONSA-N 1 0 389.460 -1.248 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001130007329 1075023047 /nfs/dbraw/zinc/02/30/47/1075023047.db2.gz IZSJCDRWNQNCPY-BARDWOONSA-N 1 0 389.460 -1.200 20 0 GAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001130007332 1075023057 /nfs/dbraw/zinc/02/30/57/1075023057.db2.gz JBEJAGHQSYZGNP-ZOBORPQBSA-N 1 0 393.448 -1.823 20 0 GAADRO CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007334 1075022934 /nfs/dbraw/zinc/02/29/34/1075022934.db2.gz JHZGQTNTZLTQFJ-RQJABVFESA-N 1 0 377.449 -1.391 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007578 1075023093 /nfs/dbraw/zinc/02/30/93/1075023093.db2.gz LQUJORNMRWTJFT-KXNHARMFSA-N 1 0 392.420 -2.413 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130007592 1075022958 /nfs/dbraw/zinc/02/29/58/1075022958.db2.gz MGJCSCHOEKOKEH-RQJABVFESA-N 1 0 375.433 -1.733 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)Nc2ccon2)[C@@H](n2ccnn2)C1 ZINC001130007599 1075023075 /nfs/dbraw/zinc/02/30/75/1075023075.db2.gz MQKFKQKFLMIPMN-KXNHARMFSA-N 1 0 388.388 -1.632 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NC3CC3)[C@@H](n3ccnn3)C2)O1 ZINC001130007603 1075023105 /nfs/dbraw/zinc/02/31/05/1075023105.db2.gz MTIAEYCAPAVJBZ-ZOBORPQBSA-N 1 0 391.432 -2.069 20 0 GAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001130007635 1075022971 /nfs/dbraw/zinc/02/29/71/1075022971.db2.gz OIGSVAQLBMGIRL-ZOBORPQBSA-N 1 0 393.448 -1.869 20 0 GAADRO CN(CC1CC1)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007645 1075023064 /nfs/dbraw/zinc/02/30/64/1075023064.db2.gz OQWDAHDNOWCCBA-BARDWOONSA-N 1 0 389.460 -1.391 20 0 GAADRO CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007669 1075023112 /nfs/dbraw/zinc/02/31/12/1075023112.db2.gz QDDAUTWGLOGWLH-RQJABVFESA-N 1 0 377.449 -1.392 20 0 GAADRO CS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007682 1075023021 /nfs/dbraw/zinc/02/30/21/1075023021.db2.gz QQIPNDMHPQUYBY-XQHKEYJVSA-N 1 0 384.462 -1.824 20 0 GAADRO CN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1)C1CC1 ZINC001130007719 1075023084 /nfs/dbraw/zinc/02/30/84/1075023084.db2.gz SCALCDHVYYCLBB-RQJABVFESA-N 1 0 375.433 -1.638 20 0 GAADRO CC(C)(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130007740 1075023000 /nfs/dbraw/zinc/02/30/00/1075023000.db2.gz SZHYZCIQJOTZHZ-RQJABVFESA-N 1 0 391.476 -1.097 20 0 GAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001130007744 1075023037 /nfs/dbraw/zinc/02/30/37/1075023037.db2.gz SZVHQJABVUAHGP-MROQNXINSA-N 1 0 379.421 -2.259 20 0 GAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001130007821 1075023100 /nfs/dbraw/zinc/02/31/00/1075023100.db2.gz VFFZANUQGJRDMV-MROQNXINSA-N 1 0 379.421 -2.211 20 0 GAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001130008048 1075022918 /nfs/dbraw/zinc/02/29/18/1075022918.db2.gz WDBXWUXXENVBQE-ZOBORPQBSA-N 1 0 393.448 -1.821 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130008119 1075022985 /nfs/dbraw/zinc/02/29/85/1075022985.db2.gz YKSBFZCCWLLQSE-YTWAJWBKSA-N 1 0 378.393 -2.803 20 0 GAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 ZINC001130009171 1075023446 /nfs/dbraw/zinc/02/34/46/1075023446.db2.gz AFKCOXMFKORPQO-BARDWOONSA-N 1 0 391.476 -1.001 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001130009246 1075023369 /nfs/dbraw/zinc/02/33/69/1075023369.db2.gz FAXYTEDTMUAMHN-OSRDXIQISA-N 1 0 389.460 -1.200 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)O1 ZINC001130009261 1075023260 /nfs/dbraw/zinc/02/32/60/1075023260.db2.gz FTFBJTKOLBUTOK-ZOBORPQBSA-N 1 0 382.421 -2.339 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130009302 1075023424 /nfs/dbraw/zinc/02/34/24/1075023424.db2.gz HVOFGWGUJSGUJK-BARDWOONSA-N 1 0 380.449 -1.470 20 0 GAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130009348 1075023351 /nfs/dbraw/zinc/02/33/51/1075023351.db2.gz KOPNRIVNKJLYRR-BARDWOONSA-N 1 0 380.449 -1.647 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130009351 1075023378 /nfs/dbraw/zinc/02/33/78/1075023378.db2.gz KQPQBZPONQTQLP-BARDWOONSA-N 1 0 389.460 -1.343 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 ZINC001130009433 1075023339 /nfs/dbraw/zinc/02/33/39/1075023339.db2.gz OPVVNEDTKYXTIP-KXNHARMFSA-N 1 0 392.420 -2.284 20 0 GAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130009438 1075023282 /nfs/dbraw/zinc/02/32/82/1075023282.db2.gz OVEHULNTXZQRHI-RQJABVFESA-N 1 0 377.449 -1.568 20 0 GAADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001130009611 1075023454 /nfs/dbraw/zinc/02/34/54/1075023454.db2.gz XNUBPACKKFCNTE-XQHKEYJVSA-N 1 0 377.449 -1.344 20 0 GAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 ZINC001130009629 1075023271 /nfs/dbraw/zinc/02/32/71/1075023271.db2.gz YKJFQIPRUUSPSB-RQJABVFESA-N 1 0 377.449 -1.391 20 0 GAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130009645 1075023329 /nfs/dbraw/zinc/02/33/29/1075023329.db2.gz ZFPQWYVFJWKCDV-KXNHARMFSA-N 1 0 392.420 -2.461 20 0 GAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 ZINC001130009653 1075023399 /nfs/dbraw/zinc/02/33/99/1075023399.db2.gz ZPTNUEXTJYVDQK-RQJABVFESA-N 1 0 377.449 -1.343 20 0 GAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130009656 1075023294 /nfs/dbraw/zinc/02/32/94/1075023294.db2.gz ZTHAXWFGCMVVDA-BARDWOONSA-N 1 0 391.476 -1.130 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 ZINC001130014215 1075022254 /nfs/dbraw/zinc/02/22/54/1075022254.db2.gz FNZJZAMZSFKBTL-POQQGIQPSA-N 1 0 391.432 -1.357 20 0 GAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001130014233 1075022284 /nfs/dbraw/zinc/02/22/84/1075022284.db2.gz FVUODPGXQPSYGN-BARDWOONSA-N 1 0 389.460 -1.378 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001130014327 1075022271 /nfs/dbraw/zinc/02/22/71/1075022271.db2.gz ICLPPLKZIUTCLD-FVCCEPFGSA-N 1 0 379.421 -1.357 20 0 GAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130014451 1075022195 /nfs/dbraw/zinc/02/21/95/1075022195.db2.gz NEABJSHKTCBDOW-BARDWOONSA-N 1 0 391.476 -1.132 20 0 GAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130014482 1075022246 /nfs/dbraw/zinc/02/22/46/1075022246.db2.gz OCJLSRAJIKVFCK-BARDWOONSA-N 1 0 391.476 -1.178 20 0 GAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130014540 1075022241 /nfs/dbraw/zinc/02/22/41/1075022241.db2.gz REQJHHGYDNYIKX-RQJABVFESA-N 1 0 377.449 -1.520 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 ZINC001130014617 1075022228 /nfs/dbraw/zinc/02/22/28/1075022228.db2.gz VYZFBGSPLJDGEK-KVSVUVNWSA-N 1 0 377.405 -1.618 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 ZINC001130014619 1075022266 /nfs/dbraw/zinc/02/22/66/1075022266.db2.gz WBWBDZAZDCYYNS-ZSAUSMIDSA-N 1 0 398.489 -1.264 20 0 GAADRO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H](n3ccnn3)C2)O1 ZINC001130014652 1075022681 /nfs/dbraw/zinc/02/26/81/1075022681.db2.gz YDAYMGAXLBKXGR-YIYPIFLZSA-N 1 0 386.478 -1.264 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130014752 1075022572 /nfs/dbraw/zinc/02/25/72/1075022572.db2.gz CXDPOYOSORXLNW-CXTNEJHOSA-N 1 0 393.448 -1.110 20 0 GAADRO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001130014780 1075022690 /nfs/dbraw/zinc/02/26/90/1075022690.db2.gz FKEKXQAHZJTJFM-MQYQWHSLSA-N 1 0 386.478 -1.406 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130014783 1075022665 /nfs/dbraw/zinc/02/26/65/1075022665.db2.gz FLFSNFPNGRDLOH-NMKXLXIOSA-N 1 0 379.421 -1.500 20 0 GAADRO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001130209490 1075024461 /nfs/dbraw/zinc/02/44/61/1075024461.db2.gz COLWBOHAUVFEDO-UWCDFFNFSA-N 1 0 378.433 -1.335 20 0 GAADRO C[C@H]1CC(=O)N[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)n[nH]2)C1 ZINC001130212981 1075024505 /nfs/dbraw/zinc/02/45/05/1075024505.db2.gz NNSSSJKENNPICW-KXNHARMFSA-N 1 0 393.448 -1.717 20 0 GAADRO C[C@H]1CC(=O)N[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCO)[nH]2)C1 ZINC001130213017 1075024488 /nfs/dbraw/zinc/02/44/88/1075024488.db2.gz PKGAPSZBCBPFTL-XQHKEYJVSA-N 1 0 380.449 -1.210 20 0 GAADRO C[C@@H]1OCCO[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n[nH]1 ZINC001130216383 1075024703 /nfs/dbraw/zinc/02/47/03/1075024703.db2.gz VVVUAZUTAOFLLN-RMIALFOJSA-N 1 0 382.421 -1.828 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)O1 ZINC001130237744 1075024910 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1075026018 /nfs/dbraw/zinc/02/60/18/1075026018.db2.gz DSXKUVYTOUFJFE-ORMQQPANSA-N 1 0 376.417 -1.465 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1c1cn(C)cn1 ZINC001130596984 1075026060 /nfs/dbraw/zinc/02/60/60/1075026060.db2.gz WZGULKJYUWQRQF-LFPKGMGHSA-N 1 0 390.444 -1.204 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614877 1075026134 /nfs/dbraw/zinc/02/61/34/1075026134.db2.gz FYHFNAMLRRUVDM-OCVGTWLNSA-N 1 0 378.477 -1.231 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cn(C)cn1 ZINC001130671891 1075026484 /nfs/dbraw/zinc/02/64/84/1075026484.db2.gz AURGNXYVNUZGAX-AHLTXXRQSA-N 1 0 378.433 -1.917 20 0 GAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cn(C)cn1 ZINC001130671906 1075026508 /nfs/dbraw/zinc/02/65/08/1075026508.db2.gz BQKJSUBTIXKFIE-PMOUVXMZSA-N 1 0 392.460 -1.575 20 0 GAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cn(C)cn1 ZINC001130671947 1075026571 /nfs/dbraw/zinc/02/65/71/1075026571.db2.gz DLGYRMJLFBMTNM-PMOUVXMZSA-N 1 0 392.460 -1.527 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672516 1075026408 /nfs/dbraw/zinc/02/64/08/1075026408.db2.gz RAHSXWPOABYBOW-UKTARXLSSA-N 1 0 376.461 -1.226 20 0 GAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2[NH2+]CC(=O)NC(N)=O)c1 ZINC001130675153 1075026866 /nfs/dbraw/zinc/02/68/66/1075026866.db2.gz OUKAZBJDDLKGGI-FYLLDIAZSA-N 1 0 377.405 -2.380 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130675635 1075026876 /nfs/dbraw/zinc/02/68/76/1075026876.db2.gz ZKPZIRPJCCYTGB-MPPDQPJWSA-N 1 0 391.432 -2.119 20 0 GAADRO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001130677618 1075026844 /nfs/dbraw/zinc/02/68/44/1075026844.db2.gz ALGVJCVZWWXQOQ-OICBVUGWSA-N 1 0 378.433 -1.076 20 0 GAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130677629 1075026959 /nfs/dbraw/zinc/02/69/59/1075026959.db2.gz BBKJEWGPTGVYCE-UKTARXLSSA-N 1 0 376.461 -1.050 20 0 GAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2[NH2+]CC(=O)NCC2CC2)c1 ZINC001130677774 1075026932 /nfs/dbraw/zinc/02/69/32/1075026932.db2.gz HAVNKKIRHISGJI-ORIJERBGSA-N 1 0 388.472 -1.048 20 0 GAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130677969 1075026949 /nfs/dbraw/zinc/02/69/49/1075026949.db2.gz KDNCKWYVQLRVGC-UKTARXLSSA-N 1 0 376.461 -1.096 20 0 GAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2[NH2+]CCNC(=O)C2CC2)c1 ZINC001130677988 1075026856 /nfs/dbraw/zinc/02/68/56/1075026856.db2.gz LEPFOCRLMLMXFQ-ORIJERBGSA-N 1 0 388.472 -1.048 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cn(C)cn1 ZINC001130678155 1075026476 /nfs/dbraw/zinc/02/64/76/1075026476.db2.gz PKVQYDHKENOYRZ-UKTARXLSSA-N 1 0 376.461 -1.048 20 0 GAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130678389 1075026417 /nfs/dbraw/zinc/02/64/17/1075026417.db2.gz YOWFQGNTMCZRFH-UKTARXLSSA-N 1 0 376.461 -1.048 20 0 GAADRO Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2[NH2+]CCS(C)(=O)=O)c1 ZINC001130678419 1075026491 /nfs/dbraw/zinc/02/64/91/1075026491.db2.gz ZXXLOESJUFFGON-OWTLIXCDSA-N 1 0 383.474 -1.530 20 0 GAADRO C[C@@H]1CN(C)C[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCO)O3)n[nH]2)O1 ZINC001130790150 1075027751 /nfs/dbraw/zinc/02/77/51/1075027751.db2.gz KFTJBHDHJFPWAG-XJFOESAGSA-N 1 0 382.465 -1.058 20 0 GAADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130804570 1075027641 /nfs/dbraw/zinc/02/76/41/1075027641.db2.gz LJQBBNYUOQUJDL-WUHRBBMRSA-N 1 0 380.449 -1.053 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCO)O3)n[nH]2)O1 ZINC001130809070 1075028147 /nfs/dbraw/zinc/02/81/47/1075028147.db2.gz FZNIPPUCTXFRIK-NNYUYHANSA-N 1 0 382.421 -1.744 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GAADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cncn1C ZINC001131070138 1075029623 /nfs/dbraw/zinc/02/96/23/1075029623.db2.gz HTYLCBZJARFHEY-RJZRQDKASA-N 1 0 392.460 -1.575 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cncn1C ZINC001131070162 1075029989 /nfs/dbraw/zinc/02/99/89/1075029989.db2.gz IWLKKFOFIQXAML-MHDGFBEUSA-N 1 0 378.433 -1.917 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cncn1C ZINC001131070404 1075029871 /nfs/dbraw/zinc/02/98/71/1075029871.db2.gz UJNOPGBKYUTHJD-XJFOESAGSA-N 1 0 376.461 -1.048 20 0 GAADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cncn1C ZINC001131070529 1075030001 /nfs/dbraw/zinc/03/00/01/1075030001.db2.gz ZXBRAOIMMLPRRS-RJZRQDKASA-N 1 0 392.460 -1.527 20 0 GAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001131073501 1075030017 /nfs/dbraw/zinc/03/00/17/1075030017.db2.gz FAFAUJZSILRMPH-LXTVHRRPSA-N 1 0 388.472 -1.048 20 0 GAADRO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cncn1C ZINC001131073551 1075030070 /nfs/dbraw/zinc/03/00/70/1075030070.db2.gz GZLFYKRTTQKAOS-XJFOESAGSA-N 1 0 376.461 -1.050 20 0 GAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cncn1C ZINC001131073616 1075029897 /nfs/dbraw/zinc/02/98/97/1075029897.db2.gz KJJQDRVDRHREMJ-XJFOESAGSA-N 1 0 376.461 -1.096 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cncn1C ZINC001131073620 1075029980 /nfs/dbraw/zinc/02/99/80/1075029980.db2.gz KRYRSYZUQZSCIM-WRWGMCAJSA-N 1 0 391.432 -2.119 20 0 GAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001131074001 1075030032 /nfs/dbraw/zinc/03/00/32/1075030032.db2.gz TWGBUMHIIZMBCY-LMLFDSFASA-N 1 0 377.405 -2.380 20 0 GAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001131074141 1075030047 /nfs/dbraw/zinc/03/00/47/1075030047.db2.gz WKIGDVZYQBYAQO-LXTVHRRPSA-N 1 0 388.472 -1.048 20 0 GAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cncn1C ZINC001131074161 1075029918 /nfs/dbraw/zinc/02/99/18/1075029918.db2.gz WZPVVKKZHZNLLY-XJFOESAGSA-N 1 0 376.461 -1.048 20 0 GAADRO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001131074214 1075030384 /nfs/dbraw/zinc/03/03/84/1075030384.db2.gz ZFZJLMSRMJLTGH-YVECIDJPSA-N 1 0 383.474 -1.530 20 0 GAADRO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001131075961 1075030368 /nfs/dbraw/zinc/03/03/68/1075030368.db2.gz BKLFWYNTAAHFJY-BLTAXRJOSA-N 1 0 378.433 -1.076 20 0 GAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC[C@@H]1CCS(=O)(=O)C1 ZINC001131517304 1075031859 /nfs/dbraw/zinc/03/18/59/1075031859.db2.gz RUFKXXZHYWDDOD-GNIPQWQFSA-N 1 0 385.486 -1.334 20 0 GAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC[C@H]1CCS(=O)(=O)C1 ZINC001131517305 1075031922 /nfs/dbraw/zinc/03/19/22/1075031922.db2.gz RUFKXXZHYWDDOD-ULSDXFBPSA-N 1 0 385.486 -1.334 20 0 GAADRO CNC(=O)Cn1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cn1 ZINC001131517552 1075031895 /nfs/dbraw/zinc/03/18/95/1075031895.db2.gz TZQTZCPZXXFJMC-RBUCKAEESA-N 1 0 390.444 -1.303 20 0 GAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCS(=O)(=O)C1 ZINC001131524127 1075032413 /nfs/dbraw/zinc/03/24/13/1075032413.db2.gz AXUMOGQAKZRYSJ-GNIPQWQFSA-N 1 0 385.486 -1.239 20 0 GAADRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCS(=O)(=O)C1 ZINC001131524129 1075032372 /nfs/dbraw/zinc/03/23/72/1075032372.db2.gz AXUMOGQAKZRYSJ-ULSDXFBPSA-N 1 0 385.486 -1.239 20 0 GAADRO Cn1cc(S(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cn1 ZINC001131524955 1075032307 /nfs/dbraw/zinc/03/23/07/1075032307.db2.gz YFEXFLCYZSBPNA-SEBNEYGDSA-N 1 0 383.474 -1.172 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001131561732 1075032750 /nfs/dbraw/zinc/03/27/50/1075032750.db2.gz AWFUUBALPZLARX-CTASWTNQSA-N 1 0 382.461 -1.249 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001131567698 1075032696 /nfs/dbraw/zinc/03/26/96/1075032696.db2.gz OYAOJBGVKXTDID-CZXHOFHRSA-N 1 0 381.433 -1.712 20 0 GAADRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001131645448 1075033096 /nfs/dbraw/zinc/03/30/96/1075033096.db2.gz YHAPXYXKFPUEFZ-OFQRWUPVSA-N 1 0 382.461 -1.532 20 0 GAADRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001131648241 1075033058 /nfs/dbraw/zinc/03/30/58/1075033058.db2.gz RMBDSQRSKSIKLY-YQQAZPJKSA-N 1 0 382.461 -1.566 20 0 GAADRO O=C(C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCC(=O)N1CCCC1 ZINC001131648408 1075033147 /nfs/dbraw/zinc/03/31/47/1075033147.db2.gz WMBOSQGERXCDGO-GRDNDAEWSA-N 1 0 382.461 -1.518 20 0 GAADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001131648509 1075033173 /nfs/dbraw/zinc/03/31/73/1075033173.db2.gz 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C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001141661712 1073873969 /nfs/dbraw/zinc/87/39/69/1073873969.db2.gz JLTXWHGCZYLCLH-ZDUSSCGKSA-N 1 0 384.458 -1.059 20 0 GAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)Cn1cccnc1=O)CC2 ZINC001141935578 1073876828 /nfs/dbraw/zinc/87/68/28/1073876828.db2.gz DNBSGNXPLZXIRE-UHFFFAOYSA-N 1 0 390.488 -1.060 20 0 GAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CN1CC(=O)NC1=O)CC2 ZINC001142088372 1073878527 /nfs/dbraw/zinc/87/85/27/1073878527.db2.gz CGGNIEOHDSSYAA-UHFFFAOYSA-N 1 0 378.389 -1.598 20 0 GAADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CN2CC(=O)NC2=O)CC3)CC1 ZINC001142088987 1073879194 /nfs/dbraw/zinc/87/91/94/1073879194.db2.gz QEWOGSPKYYRIOF-UHFFFAOYSA-N 1 0 375.433 -1.476 20 0 GAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CN1CC(=O)NC1=O)CC2 ZINC001142089452 1073879780 /nfs/dbraw/zinc/87/97/80/1073879780.db2.gz ZTKHQFMTEFHRSX-UHFFFAOYSA-N 1 0 394.476 -1.765 20 0 GAADRO O=C(CN1CC(=O)NC1=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001142096666 1073879666 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390.444 -1.069 20 0 GAADRO COCCC1([NH3+])CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC001142392332 1073885877 /nfs/dbraw/zinc/88/58/77/1073885877.db2.gz MIBKWKRZHLAMEX-UHFFFAOYSA-N 1 0 378.433 -1.210 20 0 GAADRO Cn1c2ncn(CC(=O)NCCN(CC[NH3+])N(O)N=O)c2c(=O)n(C)c1=O ZINC001142392485 1073885719 /nfs/dbraw/zinc/88/57/19/1073885719.db2.gz UAAUEKJZEXZXLK-UHFFFAOYSA-N 1 0 383.369 -2.902 20 0 GAADRO CC[NH+]1CCN(CC(C)(C)NC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001142402005 1073886768 /nfs/dbraw/zinc/88/67/68/1073886768.db2.gz IIMZRDOAARUQNE-UHFFFAOYSA-N 1 0 394.476 -1.030 20 0 GAADRO CCOCCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001142525673 1074334473 /nfs/dbraw/zinc/33/44/73/1074334473.db2.gz JNCBSTXVYVEQEA-NKNIEXMISA-N 1 0 382.377 -2.180 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1=COCC1 ZINC001142560499 1073887508 /nfs/dbraw/zinc/88/75/08/1073887508.db2.gz PQNXLYASTPFOLK-BPTATDOASA-N 1 0 378.345 -2.303 20 0 GAADRO COC1CC(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001142569197 1073887540 /nfs/dbraw/zinc/88/75/40/1073887540.db2.gz XKDKVVUZABXPIZ-OWZWCMHQSA-N 1 0 394.388 -2.182 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1CC(F)C1 ZINC001142580062 1074393440 /nfs/dbraw/zinc/39/34/40/1074393440.db2.gz ZQYXIUGOJATDHP-SZWGDGCISA-N 1 0 382.352 -1.859 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)[C@@H](O)C(=O)N2C)cn1 ZINC001142586078 1073887493 /nfs/dbraw/zinc/88/74/93/1073887493.db2.gz VKYSCNOHQFNNQX-ZJIFWQFVSA-N 1 0 379.461 -1.127 20 0 GAADRO CC(C)N(C)CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001142590355 1074396196 /nfs/dbraw/zinc/39/61/96/1074396196.db2.gz VKSVJWIGIXQOKW-SJAJALHSSA-N 1 0 395.420 -2.267 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1C[NH+](C)C1)C(=O)NCC(N)=O ZINC001142594638 1074397628 /nfs/dbraw/zinc/39/76/28/1074397628.db2.gz SXSZQDNVYYUDNQ-KBPBESRZSA-N 1 0 381.477 -1.329 20 0 GAADRO CN1CC(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001142600292 1074398460 /nfs/dbraw/zinc/39/84/60/1074398460.db2.gz ORHDZUNLUUHAQB-BPTATDOASA-N 1 0 379.377 -3.045 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)C2C[NH+](C)C2)[C@H]1O ZINC001142600595 1074397999 /nfs/dbraw/zinc/39/79/99/1074397999.db2.gz BWFMXERPZSLIOY-YAMOITTJSA-N 1 0 391.432 -1.811 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001142645036 1074411804 /nfs/dbraw/zinc/41/18/04/1074411804.db2.gz VULVYFLSEJTXLV-MIQUEOOOSA-N 1 0 392.372 -2.714 20 0 GAADRO CC/C=C(\C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001142673202 1073889214 /nfs/dbraw/zinc/88/92/14/1073889214.db2.gz FKQKNHRKKZOUKC-AETBZFSHSA-N 1 0 378.389 -1.250 20 0 GAADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001142744778 1073889433 /nfs/dbraw/zinc/88/94/33/1073889433.db2.gz GHMGREDDFOQRPA-QLFBSQMISA-N 1 0 387.502 -1.015 20 0 GAADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001142744786 1073889068 /nfs/dbraw/zinc/88/90/68/1073889068.db2.gz GHMGREDDFOQRPA-RBSFLKMASA-N 1 0 387.502 -1.015 20 0 GAADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001142744788 1073889240 /nfs/dbraw/zinc/88/92/40/1073889240.db2.gz GHMGREDDFOQRPA-RRFJBIMHSA-N 1 0 387.502 -1.015 20 0 GAADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001142744790 1073889830 /nfs/dbraw/zinc/88/98/30/1073889830.db2.gz GHMGREDDFOQRPA-SOUVJXGZSA-N 1 0 387.502 -1.015 20 0 GAADRO CC(=O)CCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001142753578 1073890052 /nfs/dbraw/zinc/89/00/52/1073890052.db2.gz INVBWKJMXBQSJB-NKNIEXMISA-N 1 0 380.361 -2.238 20 0 GAADRO CC(=O)NCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001142801604 1073890025 /nfs/dbraw/zinc/89/00/25/1073890025.db2.gz IGLKBQHCFDJYSP-UONOGXRCSA-N 1 0 393.469 -1.046 20 0 GAADRO CC(=O)NCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001142807890 1073889986 /nfs/dbraw/zinc/88/99/86/1073889986.db2.gz RPWRGIYWJDUDAR-UHFFFAOYSA-N 1 0 384.418 -1.099 20 0 GAADRO CN1CCn2nc(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2S1(=O)=O ZINC001142904604 1073891194 /nfs/dbraw/zinc/89/11/94/1073891194.db2.gz GYTWVSZNQXACOS-GFCCVEGCSA-N 1 0 398.489 -1.166 20 0 GAADRO CN1CCn2nc(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2S1(=O)=O ZINC001142904605 1073891131 /nfs/dbraw/zinc/89/11/31/1073891131.db2.gz GYTWVSZNQXACOS-LBPRGKRZSA-N 1 0 398.489 -1.166 20 0 GAADRO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)CC[NH+]2CCCCC2)c(=O)n1 ZINC001142923648 1073891174 /nfs/dbraw/zinc/89/11/74/1073891174.db2.gz HUGQKAVXBLWPNC-RAEVTNRLSA-N 1 0 381.433 -1.320 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1CCOCC1 ZINC001143024118 1073891203 /nfs/dbraw/zinc/89/12/03/1073891203.db2.gz QRZWGUNQLVFARA-XBMUNGEKSA-N 1 0 394.388 -2.180 20 0 GAADRO CC(=O)N1C[C@H](O)C[C@H]1C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001143028365 1073891722 /nfs/dbraw/zinc/89/17/22/1073891722.db2.gz XVYLEYBKWQQRLI-PBHICJAKSA-N 1 0 377.445 -1.075 20 0 GAADRO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001143030112 1073891761 /nfs/dbraw/zinc/89/17/61/1073891761.db2.gz AEDSGDVMXFYLDQ-SJORKVTESA-N 1 0 390.488 -1.046 20 0 GAADRO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001143030493 1073891839 /nfs/dbraw/zinc/89/18/39/1073891839.db2.gz FYENFCRBMPBOSK-OCCSQVGLSA-N 1 0 393.444 -1.168 20 0 GAADRO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001143031017 1073892407 /nfs/dbraw/zinc/89/24/07/1073892407.db2.gz NAZUTLIINDUMQZ-MFKMUULPSA-N 1 0 386.430 -1.410 20 0 GAADRO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001143039484 1073892362 /nfs/dbraw/zinc/89/23/62/1073892362.db2.gz FHQDVBOCSLTQKP-CVEARBPZSA-N 1 0 396.469 -1.086 20 0 GAADRO C[NH+]1CCN(CCC(=O)n2c(N)c3ncn(COCCO)c3nc2=N)CC1 ZINC001143224841 1073894834 /nfs/dbraw/zinc/89/48/34/1073894834.db2.gz FDMYSWHJEQRTIJ-UHFFFAOYSA-N 1 0 378.437 -1.461 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)CCN1CC[NH+](C)CC1)C2 ZINC001143231313 1073895042 /nfs/dbraw/zinc/89/50/42/1073895042.db2.gz TWPNVAKGYPMALV-UHFFFAOYSA-N 1 0 393.492 -1.137 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)CC[NH+]3CCN(C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001143236805 1073894636 /nfs/dbraw/zinc/89/46/36/1073894636.db2.gz AMFRWTQCXOSERJ-SQWLQELKSA-N 1 0 395.460 -1.341 20 0 GAADRO CN1CC[NH+](CCC(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001143238205 1073895012 /nfs/dbraw/zinc/89/50/12/1073895012.db2.gz ZCQMVULNSLRFGO-RAEVTNRLSA-N 1 0 396.448 -2.559 20 0 GAADRO CN1CC[NH+](CCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001143238552 1073894727 /nfs/dbraw/zinc/89/47/27/1073894727.db2.gz ZOIPAXGGSWBFPS-INIZCTEOSA-N 1 0 375.473 -1.047 20 0 GAADRO CN(C)C(=O)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001143268720 1073895575 /nfs/dbraw/zinc/89/55/75/1073895575.db2.gz GFYCVXKCOOVDHR-QWHCGFSZSA-N 1 0 393.469 -1.094 20 0 GAADRO CN(C)C(=O)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001143282453 1073895608 /nfs/dbraw/zinc/89/56/08/1073895608.db2.gz PHBKDVIFHIRLGA-NBRKEZPRSA-N 1 0 381.349 -3.519 20 0 GAADRO CN(C)C(=O)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001143283596 1073895468 /nfs/dbraw/zinc/89/54/68/1073895468.db2.gz GYLDHWOLZKRJAJ-UHFFFAOYSA-N 1 0 384.418 -1.147 20 0 GAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CNC(=O)C2)c2nonc21 ZINC001143302851 1073896167 /nfs/dbraw/zinc/89/61/67/1073896167.db2.gz DSDGCJJFBKYIPK-SECBINFHSA-N 1 0 396.429 -1.099 20 0 GAADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CNC(=O)C2)c2nonc21 ZINC001143302854 1073896240 /nfs/dbraw/zinc/89/62/40/1073896240.db2.gz DSDGCJJFBKYIPK-VIFPVBQESA-N 1 0 396.429 -1.099 20 0 GAADRO COC(C)(C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001143330236 1073896767 /nfs/dbraw/zinc/89/67/67/1073896767.db2.gz WXJONLPLTNLMMY-GRIPGOBMSA-N 1 0 382.377 -2.182 20 0 GAADRO C[NH+]1CCC(CC(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001143360189 1073897226 /nfs/dbraw/zinc/89/72/26/1073897226.db2.gz BWTKXKFRNXGVCD-RAEVTNRLSA-N 1 0 381.433 -1.465 20 0 GAADRO CC(C)OCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001143379425 1073463995 /nfs/dbraw/zinc/46/39/95/1073463995.db2.gz WHKOCEUUGXDOMB-NKNIEXMISA-N 1 0 382.377 -2.182 20 0 GAADRO CC1(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)COC1 ZINC001143391123 1073554813 /nfs/dbraw/zinc/55/48/13/1073554813.db2.gz LARIHNRUZFRSFX-GRIPGOBMSA-N 1 0 380.361 -2.570 20 0 GAADRO CCC1(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)COC1 ZINC001143461751 1073714805 /nfs/dbraw/zinc/71/48/05/1073714805.db2.gz CPYGSLUECHMLSD-ISDYYCSASA-N 1 0 394.388 -2.180 20 0 GAADRO CCCC(=O)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001144042817 1075054653 /nfs/dbraw/zinc/05/46/53/1075054653.db2.gz FWTZYMBODDAPGN-BPTATDOASA-N 1 0 380.361 -2.238 20 0 GAADRO CSCCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001144059178 1075054516 /nfs/dbraw/zinc/05/45/16/1075054516.db2.gz VDHHQCHRIFQOPX-CLOKMRPHSA-N 1 0 384.418 -1.854 20 0 GAADRO COC(=O)/C=C/C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001144104525 1075055001 /nfs/dbraw/zinc/05/50/01/1075055001.db2.gz XRGQLQOAQIBLDP-HZAQKDOKSA-N 1 0 394.344 -2.878 20 0 GAADRO CN(CC(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1)C(N)=[NH2+] ZINC001144129819 1075054946 /nfs/dbraw/zinc/05/49/46/1075054946.db2.gz FIPUTCKZZDOCGJ-UHFFFAOYSA-N 1 0 392.464 -1.025 20 0 GAADRO CN(CC(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1)C(N)=[NH2+] ZINC001144131144 1075054884 /nfs/dbraw/zinc/05/48/84/1075054884.db2.gz UDGAFQDHQWYDPY-UHFFFAOYSA-N 1 0 376.465 -1.482 20 0 GAADRO CN(CC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1)C(N)=[NH2+] ZINC001144132007 1075054968 /nfs/dbraw/zinc/05/49/68/1075054968.db2.gz AOZYHYKNDCNGJI-GFCCVEGCSA-N 1 0 385.432 -1.113 20 0 GAADRO CN(CC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1)C(N)=[NH2+] ZINC001144132008 1075054908 /nfs/dbraw/zinc/05/49/08/1075054908.db2.gz AOZYHYKNDCNGJI-LBPRGKRZSA-N 1 0 385.432 -1.113 20 0 GAADRO CN(CC(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1)C(N)=[NH2+] ZINC001144132098 1075055024 /nfs/dbraw/zinc/05/50/24/1075055024.db2.gz DYYYBFNQFVPFHH-MELADBBJSA-N 1 0 377.449 -1.161 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN(C)C(N)=[NH2+])C(=O)NCC(N)=O ZINC001144132199 1075054912 /nfs/dbraw/zinc/05/49/12/1075054912.db2.gz IMYDBFOYFAKLAS-RYUDHWBXSA-N 1 0 397.480 -2.065 20 0 GAADRO CN(CC(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1)C(N)=[NH2+] ZINC001144132663 1075054930 /nfs/dbraw/zinc/05/49/30/1075054930.db2.gz ZXLLQJDNFBMWGF-UHFFFAOYSA-N 1 0 387.448 -1.243 20 0 GAADRO CC(=O)O[C@@H](C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001144162314 1075055031 /nfs/dbraw/zinc/05/50/31/1075055031.db2.gz ZGDQBZOLGCTLJD-IQKMCBHZSA-N 1 0 396.360 -2.655 20 0 GAADRO C[N@@H+]1CCCN(CCCNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001144226802 1075055253 /nfs/dbraw/zinc/05/52/53/1075055253.db2.gz OQCUJCAEJIBNTG-UHFFFAOYSA-N 1 0 380.449 -1.418 20 0 GAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 ZINC001144325876 1075056283 /nfs/dbraw/zinc/05/62/83/1075056283.db2.gz LPQGFKMIKPJXJA-JTQLQIEISA-N 1 0 378.389 -1.551 20 0 GAADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC3)CC1 ZINC001144326019 1075056266 /nfs/dbraw/zinc/05/62/66/1075056266.db2.gz NGVNSFFEALAGJT-ZDUSSCGKSA-N 1 0 375.433 -1.429 20 0 GAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 ZINC001144333015 1075055890 /nfs/dbraw/zinc/05/58/90/1075055890.db2.gz ODMWMPRFOMGKBI-ZDUSSCGKSA-N 1 0 394.476 -1.719 20 0 GAADRO O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001144338481 1075056502 /nfs/dbraw/zinc/05/65/02/1075056502.db2.gz DWTKIKFRVBANTD-LBPRGKRZSA-N 1 0 381.414 -1.469 20 0 GAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CCCS(N)(=O)=O ZINC001144583070 1075059789 /nfs/dbraw/zinc/05/97/89/1075059789.db2.gz RMJLTNVIKCDTHY-UHFFFAOYSA-N 1 0 380.448 -1.323 20 0 GAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CCCS(N)(=O)=O)CC2 ZINC001144583397 1075059766 /nfs/dbraw/zinc/05/97/66/1075059766.db2.gz WJQGTWQMCRVTJO-UHFFFAOYSA-N 1 0 387.462 -1.081 20 0 GAADRO Nc1cn(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)ccc1=[NH+]CCN1CCOCC1 ZINC001144893690 1075074943 /nfs/dbraw/zinc/07/49/43/1075074943.db2.gz NIMVIEIBDCZCGX-QLFBSQMISA-N 1 0 398.416 -3.413 20 0 GAADRO Nc1cn(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccc1=[NH+]CCN1CCOCC1 ZINC001144893691 1075074937 /nfs/dbraw/zinc/07/49/37/1075074937.db2.gz NIMVIEIBDCZCGX-RBSFLKMASA-N 1 0 398.416 -3.413 20 0 GAADRO Nc1cn(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)ccc1=[NH+]CCN1CCOCC1 ZINC001144893693 1075074941 /nfs/dbraw/zinc/07/49/41/1075074941.db2.gz NIMVIEIBDCZCGX-RRFJBIMHSA-N 1 0 398.416 -3.413 20 0 GAADRO Nc1cn(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)ccc1=[NH+]CCN1CCOCC1 ZINC001144893695 1075074980 /nfs/dbraw/zinc/07/49/80/1075074980.db2.gz NIMVIEIBDCZCGX-SOUVJXGZSA-N 1 0 398.416 -3.413 20 0 GAADRO CC(C)(C)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001144895100 1075062772 /nfs/dbraw/zinc/06/27/72/1075062772.db2.gz KEDXKZFSJZCGKN-AAVRWANBSA-N 1 0 388.461 -1.831 20 0 GAADRO CC(C)(C)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001144895102 1075062695 /nfs/dbraw/zinc/06/26/95/1075062695.db2.gz KEDXKZFSJZCGKN-IGQOVBAYSA-N 1 0 388.461 -1.831 20 0 GAADRO CC(C)(C)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001144895104 1075062686 /nfs/dbraw/zinc/06/26/86/1075062686.db2.gz KEDXKZFSJZCGKN-REWJHTLYSA-N 1 0 388.461 -1.831 20 0 GAADRO CC(C)(C)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001144895107 1075062682 /nfs/dbraw/zinc/06/26/82/1075062682.db2.gz KEDXKZFSJZCGKN-XJFOESAGSA-N 1 0 388.461 -1.831 20 0 GAADRO O=C(C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895117 1075062667 /nfs/dbraw/zinc/06/26/67/1075062667.db2.gz KHOVURWFLAQVJZ-CWQOZTLDSA-N 1 0 392.452 -1.247 20 0 GAADRO O=C(C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895118 1075062717 /nfs/dbraw/zinc/06/27/17/1075062717.db2.gz KHOVURWFLAQVJZ-DISONHOPSA-N 1 0 392.452 -1.247 20 0 GAADRO O=C(C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895119 1075062701 /nfs/dbraw/zinc/06/27/01/1075062701.db2.gz KHOVURWFLAQVJZ-MDMSPXHWSA-N 1 0 392.452 -1.247 20 0 GAADRO O=C(C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895120 1075062751 /nfs/dbraw/zinc/06/27/51/1075062751.db2.gz KHOVURWFLAQVJZ-RSJGLCBASA-N 1 0 392.452 -1.247 20 0 GAADRO O=C(C(=O)N1CCC(COCC[NH+]2CCCC2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895803 1075063449 /nfs/dbraw/zinc/06/34/49/1075063449.db2.gz XGHXHTUGUJVQGD-ARFHVFGLSA-N 1 0 388.461 -2.019 20 0 GAADRO O=C(C(=O)N1CCC(COCC[NH+]2CCCC2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895804 1075063502 /nfs/dbraw/zinc/06/35/02/1075063502.db2.gz XGHXHTUGUJVQGD-BZUAXINKSA-N 1 0 388.461 -2.019 20 0 GAADRO O=C(C(=O)N1CCC(COCC[NH+]2CCCC2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895805 1075063394 /nfs/dbraw/zinc/06/33/94/1075063394.db2.gz XGHXHTUGUJVQGD-HRCADAONSA-N 1 0 388.461 -2.019 20 0 GAADRO O=C(C(=O)N1CCC(COCC[NH+]2CCCC2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895806 1075063475 /nfs/dbraw/zinc/06/34/75/1075063475.db2.gz XGHXHTUGUJVQGD-OWCLPIDISA-N 1 0 388.461 -2.019 20 0 GAADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC[C@@H]2C1 ZINC001144895888 1075063452 /nfs/dbraw/zinc/06/34/52/1075063452.db2.gz OTJMHZPTANGMLX-ARILJUKYSA-N 1 0 390.433 -3.174 20 0 GAADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@@H]2C1 ZINC001144895889 1075063461 /nfs/dbraw/zinc/06/34/61/1075063461.db2.gz OTJMHZPTANGMLX-KJWHEZOQSA-N 1 0 390.433 -3.174 20 0 GAADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC[C@@H]2C1 ZINC001144895890 1075063484 /nfs/dbraw/zinc/06/34/84/1075063484.db2.gz OTJMHZPTANGMLX-QKGCVVFFSA-N 1 0 390.433 -3.174 20 0 GAADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC[C@@H]2C1 ZINC001144895891 1075063396 /nfs/dbraw/zinc/06/33/96/1075063396.db2.gz OTJMHZPTANGMLX-XLWJZTARSA-N 1 0 390.433 -3.174 20 0 GAADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144896355 1075063999 /nfs/dbraw/zinc/06/39/99/1075063999.db2.gz QSADKONXPBOCKM-FPMFFAJLSA-N 1 0 387.433 -3.167 20 0 GAADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144896370 1075063983 /nfs/dbraw/zinc/06/39/83/1075063983.db2.gz QSADKONXPBOCKM-IACUBPJLSA-N 1 0 387.433 -3.167 20 0 GAADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144896375 1075064006 /nfs/dbraw/zinc/06/40/06/1075064006.db2.gz QSADKONXPBOCKM-KWCYVHTRSA-N 1 0 387.433 -3.167 20 0 GAADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144896378 1075063991 /nfs/dbraw/zinc/06/39/91/1075063991.db2.gz QSADKONXPBOCKM-MRVWCRGKSA-N 1 0 387.433 -3.167 20 0 GAADRO CC(C)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1ncnc2c1CC[NH2+]CC2 ZINC001144897404 1075064986 /nfs/dbraw/zinc/06/49/86/1075064986.db2.gz ZWPSFQDMKKEXMX-BFHYXJOUSA-N 1 0 382.417 -2.450 20 0 GAADRO CC(C)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1ncnc2c1CC[NH2+]CC2 ZINC001144897405 1075065067 /nfs/dbraw/zinc/06/50/67/1075065067.db2.gz ZWPSFQDMKKEXMX-HZSPNIEDSA-N 1 0 382.417 -2.450 20 0 GAADRO CC(C)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ncnc2c1CC[NH2+]CC2 ZINC001144897406 1075065048 /nfs/dbraw/zinc/06/50/48/1075065048.db2.gz ZWPSFQDMKKEXMX-MELADBBJSA-N 1 0 382.417 -2.450 20 0 GAADRO CC(C)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1ncnc2c1CC[NH2+]CC2 ZINC001144897407 1075064990 /nfs/dbraw/zinc/06/49/90/1075064990.db2.gz ZWPSFQDMKKEXMX-MGPQQGTHSA-N 1 0 382.417 -2.450 20 0 GAADRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144898475 1075065037 /nfs/dbraw/zinc/06/50/37/1075065037.db2.gz AWPNRSZDBWKQIJ-BRWVUGGUSA-N 1 0 398.431 -1.107 20 0 GAADRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144898476 1075064961 /nfs/dbraw/zinc/06/49/61/1075064961.db2.gz AWPNRSZDBWKQIJ-GVDBMIGSSA-N 1 0 398.431 -1.107 20 0 GAADRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144898477 1075065099 /nfs/dbraw/zinc/06/50/99/1075065099.db2.gz AWPNRSZDBWKQIJ-IXDOHACOSA-N 1 0 398.431 -1.107 20 0 GAADRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144898479 1075064974 /nfs/dbraw/zinc/06/49/74/1075064974.db2.gz AWPNRSZDBWKQIJ-YESZJQIVSA-N 1 0 398.431 -1.107 20 0 GAADRO O=C(C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899408 1075066263 /nfs/dbraw/zinc/06/62/63/1075066263.db2.gz JUFDYGIQRQDHFP-FGTMMUONSA-N 1 0 392.452 -1.320 20 0 GAADRO O=C(C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899409 1075066310 /nfs/dbraw/zinc/06/63/10/1075066310.db2.gz JUFDYGIQRQDHFP-KZNAEPCWSA-N 1 0 392.452 -1.320 20 0 GAADRO O=C(C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899410 1075066283 /nfs/dbraw/zinc/06/62/83/1075066283.db2.gz JUFDYGIQRQDHFP-OKZBNKHCSA-N 1 0 392.452 -1.320 20 0 GAADRO O=C(C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899411 1075066338 /nfs/dbraw/zinc/06/63/38/1075066338.db2.gz JUFDYGIQRQDHFP-RCCFBDPRSA-N 1 0 392.452 -1.320 20 0 GAADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900043 1075067507 /nfs/dbraw/zinc/06/75/07/1075067507.db2.gz PROXJKBKKIXROK-OGCZYDBJSA-N 1 0 394.468 -1.001 20 0 GAADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900047 1075067527 /nfs/dbraw/zinc/06/75/27/1075067527.db2.gz PROXJKBKKIXROK-PEJOBZMASA-N 1 0 394.468 -1.001 20 0 GAADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900050 1075067562 /nfs/dbraw/zinc/06/75/62/1075067562.db2.gz PROXJKBKKIXROK-PFPDTZPXSA-N 1 0 394.468 -1.001 20 0 GAADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900054 1075067485 /nfs/dbraw/zinc/06/74/85/1075067485.db2.gz PROXJKBKKIXROK-XEIOYGOASA-N 1 0 394.468 -1.001 20 0 GAADRO CC[NH+]1CCC(CC2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)CC1 ZINC001144900798 1075068087 /nfs/dbraw/zinc/06/80/87/1075068087.db2.gz UUKKZWGLWGBRJY-BRWVUGGUSA-N 1 0 386.489 -1.009 20 0 GAADRO CC[NH+]1CCC(CC2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)CC1 ZINC001144900799 1075068035 /nfs/dbraw/zinc/06/80/35/1075068035.db2.gz UUKKZWGLWGBRJY-GVDBMIGSSA-N 1 0 386.489 -1.009 20 0 GAADRO CC[NH+]1CCC(CC2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)CC1 ZINC001144900800 1075068048 /nfs/dbraw/zinc/06/80/48/1075068048.db2.gz UUKKZWGLWGBRJY-IXDOHACOSA-N 1 0 386.489 -1.009 20 0 GAADRO CC[NH+]1CCC(CC2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)CC1 ZINC001144900801 1075068043 /nfs/dbraw/zinc/06/80/43/1075068043.db2.gz UUKKZWGLWGBRJY-YESZJQIVSA-N 1 0 386.489 -1.009 20 0 GAADRO COc1cc(C)nc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2CC[NH2+]CC2)n1 ZINC001144901034 1075068264 /nfs/dbraw/zinc/06/82/64/1075068264.db2.gz XWNSNNBWEQJIOO-FPMFFAJLSA-N 1 0 398.416 -2.477 20 0 GAADRO COc1cc(C)nc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2CC[NH2+]CC2)n1 ZINC001144901035 1075068289 /nfs/dbraw/zinc/06/82/89/1075068289.db2.gz XWNSNNBWEQJIOO-IACUBPJLSA-N 1 0 398.416 -2.477 20 0 GAADRO COc1cc(C)nc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2CC[NH2+]CC2)n1 ZINC001144901036 1075068299 /nfs/dbraw/zinc/06/82/99/1075068299.db2.gz XWNSNNBWEQJIOO-KWCYVHTRSA-N 1 0 398.416 -2.477 20 0 GAADRO COc1cc(C)nc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2CC[NH2+]CC2)n1 ZINC001144901037 1075068269 /nfs/dbraw/zinc/06/82/69/1075068269.db2.gz XWNSNNBWEQJIOO-MRVWCRGKSA-N 1 0 398.416 -2.477 20 0 GAADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc2F)CC1 ZINC001144901414 1075069008 /nfs/dbraw/zinc/06/90/08/1075069008.db2.gz CPBCUEKBOPMRQZ-ARFHVFGLSA-N 1 0 399.419 -1.450 20 0 GAADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc2F)CC1 ZINC001144901415 1075068962 /nfs/dbraw/zinc/06/89/62/1075068962.db2.gz CPBCUEKBOPMRQZ-BZUAXINKSA-N 1 0 399.419 -1.450 20 0 GAADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc2F)CC1 ZINC001144901416 1075069040 /nfs/dbraw/zinc/06/90/40/1075069040.db2.gz CPBCUEKBOPMRQZ-HRCADAONSA-N 1 0 399.419 -1.450 20 0 GAADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc2F)CC1 ZINC001144901417 1075069001 /nfs/dbraw/zinc/06/90/01/1075069001.db2.gz CPBCUEKBOPMRQZ-OWCLPIDISA-N 1 0 399.419 -1.450 20 0 GAADRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144901499 1075069349 /nfs/dbraw/zinc/06/93/49/1075069349.db2.gz DNDREPMDEURCIE-BRWVUGGUSA-N 1 0 398.431 -1.107 20 0 GAADRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144901501 1075069318 /nfs/dbraw/zinc/06/93/18/1075069318.db2.gz DNDREPMDEURCIE-GVDBMIGSSA-N 1 0 398.431 -1.107 20 0 GAADRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144901503 1075069387 /nfs/dbraw/zinc/06/93/87/1075069387.db2.gz DNDREPMDEURCIE-IXDOHACOSA-N 1 0 398.431 -1.107 20 0 GAADRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144901505 1075069289 /nfs/dbraw/zinc/06/92/89/1075069289.db2.gz DNDREPMDEURCIE-YESZJQIVSA-N 1 0 398.431 -1.107 20 0 GAADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc2)CC1 ZINC001144901974 1075069560 /nfs/dbraw/zinc/06/95/60/1075069560.db2.gz GSRBKKGBWSHBEL-BRWVUGGUSA-N 1 0 395.456 -1.593 20 0 GAADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc2)CC1 ZINC001144901975 1075069535 /nfs/dbraw/zinc/06/95/35/1075069535.db2.gz GSRBKKGBWSHBEL-GVDBMIGSSA-N 1 0 395.456 -1.593 20 0 GAADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc2)CC1 ZINC001144901976 1075069528 /nfs/dbraw/zinc/06/95/28/1075069528.db2.gz GSRBKKGBWSHBEL-IXDOHACOSA-N 1 0 395.456 -1.593 20 0 GAADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc2)CC1 ZINC001144901977 1075069587 /nfs/dbraw/zinc/06/95/87/1075069587.db2.gz GSRBKKGBWSHBEL-YESZJQIVSA-N 1 0 395.456 -1.593 20 0 GAADRO [NH3+]CCN=c1ccc(Br)cn1C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903191 1075070541 /nfs/dbraw/zinc/07/05/41/1075070541.db2.gz JHAWNMJCEUVKGL-DVVUODLYSA-N 1 0 392.206 -2.606 20 0 GAADRO [NH3+]CCN=c1ccc(Br)cn1C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903192 1075070577 /nfs/dbraw/zinc/07/05/77/1075070577.db2.gz JHAWNMJCEUVKGL-FBIMIBRVSA-N 1 0 392.206 -2.606 20 0 GAADRO [NH3+]CCN=c1ccc(Br)cn1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903193 1075070559 /nfs/dbraw/zinc/07/05/59/1075070559.db2.gz JHAWNMJCEUVKGL-INTQDDNPSA-N 1 0 392.206 -2.606 20 0 GAADRO [NH3+]CCN=c1ccc(Br)cn1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903194 1075070573 /nfs/dbraw/zinc/07/05/73/1075070573.db2.gz JHAWNMJCEUVKGL-JMJZKYOTSA-N 1 0 392.206 -2.606 20 0 GAADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144903535 1075070551 /nfs/dbraw/zinc/07/05/51/1075070551.db2.gz LCKCAIASYCWSGI-LUKYLMHMSA-N 1 0 380.441 -1.341 20 0 GAADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144903536 1075070596 /nfs/dbraw/zinc/07/05/96/1075070596.db2.gz LCKCAIASYCWSGI-MWDXBVQZSA-N 1 0 380.441 -1.341 20 0 GAADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144903537 1075070534 /nfs/dbraw/zinc/07/05/34/1075070534.db2.gz LCKCAIASYCWSGI-VVLHAWIVSA-N 1 0 380.441 -1.341 20 0 GAADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144903538 1075070588 /nfs/dbraw/zinc/07/05/88/1075070588.db2.gz LCKCAIASYCWSGI-YLFCFFPRSA-N 1 0 380.441 -1.341 20 0 GAADRO CS(=O)(=O)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903815 1075070783 /nfs/dbraw/zinc/07/07/83/1075070783.db2.gz MUDYLLCCJUBJHA-GRYCIOLGSA-N 1 0 376.387 -2.918 20 0 GAADRO CS(=O)(=O)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903817 1075070818 /nfs/dbraw/zinc/07/08/18/1075070818.db2.gz MUDYLLCCJUBJHA-IJLUTSLNSA-N 1 0 376.387 -2.918 20 0 GAADRO CS(=O)(=O)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903819 1075070808 /nfs/dbraw/zinc/07/08/08/1075070808.db2.gz MUDYLLCCJUBJHA-QJPTWQEYSA-N 1 0 376.387 -2.918 20 0 GAADRO CS(=O)(=O)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccc(C[NH3+])cc1 ZINC001144903822 1075070755 /nfs/dbraw/zinc/07/07/55/1075070755.db2.gz MUDYLLCCJUBJHA-SDDRHHMPSA-N 1 0 376.387 -2.918 20 0 GAADRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144904276 1075071228 /nfs/dbraw/zinc/07/12/28/1075071228.db2.gz MUJNNJGCKNMXNU-ARFHVFGLSA-N 1 0 382.413 -1.256 20 0 GAADRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144904278 1075071223 /nfs/dbraw/zinc/07/12/23/1075071223.db2.gz MUJNNJGCKNMXNU-BZUAXINKSA-N 1 0 382.413 -1.256 20 0 GAADRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144904280 1075071203 /nfs/dbraw/zinc/07/12/03/1075071203.db2.gz MUJNNJGCKNMXNU-HRCADAONSA-N 1 0 382.413 -1.256 20 0 GAADRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144904284 1075071209 /nfs/dbraw/zinc/07/12/09/1075071209.db2.gz MUJNNJGCKNMXNU-OWCLPIDISA-N 1 0 382.413 -1.256 20 0 GAADRO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905027 1075071427 /nfs/dbraw/zinc/07/14/27/1075071427.db2.gz PGHKJMLPRVJHIV-FGTMMUONSA-N 1 0 394.468 -1.299 20 0 GAADRO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905056 1075071495 /nfs/dbraw/zinc/07/14/95/1075071495.db2.gz PGHKJMLPRVJHIV-KZNAEPCWSA-N 1 0 394.468 -1.299 20 0 GAADRO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905059 1075071450 /nfs/dbraw/zinc/07/14/50/1075071450.db2.gz PGHKJMLPRVJHIV-OKZBNKHCSA-N 1 0 394.468 -1.299 20 0 GAADRO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905060 1075071516 /nfs/dbraw/zinc/07/15/16/1075071516.db2.gz PGHKJMLPRVJHIV-RCCFBDPRSA-N 1 0 394.468 -1.299 20 0 GAADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905659 1075071730 /nfs/dbraw/zinc/07/17/30/1075071730.db2.gz RMTIYYKOMZRQIK-ARFHVFGLSA-N 1 0 381.429 -1.946 20 0 GAADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905660 1075071736 /nfs/dbraw/zinc/07/17/36/1075071736.db2.gz RMTIYYKOMZRQIK-BZUAXINKSA-N 1 0 381.429 -1.946 20 0 GAADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905661 1075071740 /nfs/dbraw/zinc/07/17/40/1075071740.db2.gz RMTIYYKOMZRQIK-HRCADAONSA-N 1 0 381.429 -1.946 20 0 GAADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905662 1075071719 /nfs/dbraw/zinc/07/17/19/1075071719.db2.gz RMTIYYKOMZRQIK-OWCLPIDISA-N 1 0 381.429 -1.946 20 0 GAADRO C[NH+]1CCN(c2cccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2)CC1 ZINC001144906359 1075071945 /nfs/dbraw/zinc/07/19/45/1075071945.db2.gz SQDHBMIHPFNKDC-ARFHVFGLSA-N 1 0 381.429 -2.301 20 0 GAADRO C[NH+]1CCN(c2cccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2)CC1 ZINC001144906364 1075071952 /nfs/dbraw/zinc/07/19/52/1075071952.db2.gz SQDHBMIHPFNKDC-BZUAXINKSA-N 1 0 381.429 -2.301 20 0 GAADRO C[NH+]1CCN(c2cccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c2)CC1 ZINC001144906367 1075071904 /nfs/dbraw/zinc/07/19/04/1075071904.db2.gz SQDHBMIHPFNKDC-HRCADAONSA-N 1 0 381.429 -2.301 20 0 GAADRO C[NH+]1CCN(c2cccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2)CC1 ZINC001144906371 1075071924 /nfs/dbraw/zinc/07/19/24/1075071924.db2.gz SQDHBMIHPFNKDC-OWCLPIDISA-N 1 0 381.429 -2.301 20 0 GAADRO COc1ccnc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2CC[NH2+]CC2)c1 ZINC001144907320 1075072692 /nfs/dbraw/zinc/07/26/92/1075072692.db2.gz VHULCWIAGZTFBP-AEGPPILISA-N 1 0 383.401 -2.181 20 0 GAADRO COc1ccnc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2CC[NH2+]CC2)c1 ZINC001144907325 1075072674 /nfs/dbraw/zinc/07/26/74/1075072674.db2.gz VHULCWIAGZTFBP-BPLDGKMQSA-N 1 0 383.401 -2.181 20 0 GAADRO COc1ccnc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2CC[NH2+]CC2)c1 ZINC001144907326 1075072678 /nfs/dbraw/zinc/07/26/78/1075072678.db2.gz VHULCWIAGZTFBP-NWANDNLSSA-N 1 0 383.401 -2.181 20 0 GAADRO COc1ccnc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2CC[NH2+]CC2)c1 ZINC001144907327 1075072690 /nfs/dbraw/zinc/07/26/90/1075072690.db2.gz VHULCWIAGZTFBP-VHDGCEQUSA-N 1 0 383.401 -2.181 20 0 GAADRO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907484 1075072904 /nfs/dbraw/zinc/07/29/04/1075072904.db2.gz YDBSKHZCDIXEDY-KHHDSSOXSA-N 1 0 392.452 -1.058 20 0 GAADRO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907485 1075072990 /nfs/dbraw/zinc/07/29/90/1075072990.db2.gz YDBSKHZCDIXEDY-LVZMMCSGSA-N 1 0 392.452 -1.058 20 0 GAADRO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907486 1075072950 /nfs/dbraw/zinc/07/29/50/1075072950.db2.gz YDBSKHZCDIXEDY-MCEUPANISA-N 1 0 392.452 -1.058 20 0 GAADRO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907487 1075072935 /nfs/dbraw/zinc/07/29/35/1075072935.db2.gz YDBSKHZCDIXEDY-OOOWVJFSSA-N 1 0 392.452 -1.058 20 0 GAADRO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144907913 1075073113 /nfs/dbraw/zinc/07/31/13/1075073113.db2.gz QCHIVQFHMQTQCU-DGXTUMSLSA-N 1 0 381.429 -1.676 20 0 GAADRO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144907915 1075073162 /nfs/dbraw/zinc/07/31/62/1075073162.db2.gz QCHIVQFHMQTQCU-OXGONZEZSA-N 1 0 381.429 -1.676 20 0 GAADRO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144907916 1075073123 /nfs/dbraw/zinc/07/31/23/1075073123.db2.gz QCHIVQFHMQTQCU-RFBLXINOSA-N 1 0 381.429 -1.676 20 0 GAADRO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144907917 1075073139 /nfs/dbraw/zinc/07/31/39/1075073139.db2.gz QCHIVQFHMQTQCU-UVPYHEFZSA-N 1 0 381.429 -1.676 20 0 GAADRO COc1cccc(C2([NH3+])CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)c1 ZINC001144908109 1075073442 /nfs/dbraw/zinc/07/34/42/1075073442.db2.gz SGZDYNDVUFCOSI-QLFBSQMISA-N 1 0 382.413 -1.884 20 0 GAADRO COc1cccc(C2([NH3+])CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)c1 ZINC001144908110 1075073402 /nfs/dbraw/zinc/07/34/02/1075073402.db2.gz SGZDYNDVUFCOSI-RBSFLKMASA-N 1 0 382.413 -1.884 20 0 GAADRO COc1cccc(C2([NH3+])CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)c1 ZINC001144908111 1075073465 /nfs/dbraw/zinc/07/34/65/1075073465.db2.gz SGZDYNDVUFCOSI-RRFJBIMHSA-N 1 0 382.413 -1.884 20 0 GAADRO COc1cccc(C2([NH3+])CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)c1 ZINC001144908112 1075073391 /nfs/dbraw/zinc/07/33/91/1075073391.db2.gz SGZDYNDVUFCOSI-SOUVJXGZSA-N 1 0 382.413 -1.884 20 0 GAADRO COc1cc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2CC[NH2+]CC2)ccn1 ZINC001144908196 1075073469 /nfs/dbraw/zinc/07/34/69/1075073469.db2.gz ZOKHLMVPUIUMRG-AEGPPILISA-N 1 0 383.401 -2.181 20 0 GAADRO COc1cc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2CC[NH2+]CC2)ccn1 ZINC001144908197 1075073386 /nfs/dbraw/zinc/07/33/86/1075073386.db2.gz ZOKHLMVPUIUMRG-BPLDGKMQSA-N 1 0 383.401 -2.181 20 0 GAADRO COc1cc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2CC[NH2+]CC2)ccn1 ZINC001144908198 1075073381 /nfs/dbraw/zinc/07/33/81/1075073381.db2.gz ZOKHLMVPUIUMRG-NWANDNLSSA-N 1 0 383.401 -2.181 20 0 GAADRO COc1cc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2CC[NH2+]CC2)ccn1 ZINC001144908199 1075073356 /nfs/dbraw/zinc/07/33/56/1075073356.db2.gz ZOKHLMVPUIUMRG-VHDGCEQUSA-N 1 0 383.401 -2.181 20 0 GAADRO COc1cccc(C[C@@H]([NH3+])C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC001144942989 1075077190 /nfs/dbraw/zinc/07/71/90/1075077190.db2.gz DMBGDAUXENRJKX-RVDTVVLCSA-N 1 0 384.429 -1.475 20 0 GAADRO COc1cccc(C[C@H]([NH3+])C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC001144942990 1075077180 /nfs/dbraw/zinc/07/71/80/1075077180.db2.gz DMBGDAUXENRJKX-VTJRLQQZSA-N 1 0 384.429 -1.475 20 0 GAADRO CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001146247565 1075080587 /nfs/dbraw/zinc/08/05/87/1075080587.db2.gz NKCLWFRLQBPGCP-UHFFFAOYSA-N 1 0 377.402 -1.708 20 0 GAADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)O1 ZINC001146267327 1075081123 /nfs/dbraw/zinc/08/11/23/1075081123.db2.gz STSNFUSRVUYUND-TUJOMHJISA-N 1 0 389.474 -1.039 20 0 GAADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)O1 ZINC001146267328 1075081070 /nfs/dbraw/zinc/08/10/70/1075081070.db2.gz STSNFUSRVUYUND-XUWHGSIVSA-N 1 0 389.474 -1.039 20 0 GAADRO CC1(C)[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)N2C(=O)C[C@H]2S1(=O)=O ZINC001146267498 1075081083 /nfs/dbraw/zinc/08/10/83/1075081083.db2.gz WYKHMIFQNVSWDE-ZJUUUORDSA-N 1 0 378.411 -2.215 20 0 GAADRO CC(C)(C)OC(=O)NCCNC(=O)/C=C/C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001146353427 1075081177 /nfs/dbraw/zinc/08/11/77/1075081177.db2.gz KQMLIHXEXMIHAI-AATRIKPKSA-N 1 0 378.451 -1.070 20 0 GAADRO Nc1cn(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)ccc1=[NH+]CCN1CCOCC1 ZINC001146616943 1075081289 /nfs/dbraw/zinc/08/12/89/1075081289.db2.gz QCXMXYAUUDBEKK-BRWVUGGUSA-N 1 0 378.429 -1.644 20 0 GAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146617699 1075081357 /nfs/dbraw/zinc/08/13/57/1075081357.db2.gz BWIBDEWSORNJLF-YRGRVCCFSA-N 1 0 387.414 -1.979 20 0 GAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2 ZINC001146617718 1075081385 /nfs/dbraw/zinc/08/13/85/1075081385.db2.gz CQBHAHAIJPKRPZ-XJKCOSOUSA-N 1 0 394.428 -1.737 20 0 GAADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001146618752 1075081630 /nfs/dbraw/zinc/08/16/30/1075081630.db2.gz MTAADQLGLOWNIV-SBDQITGQSA-N 1 0 390.440 -1.153 20 0 GAADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC3)CC1 ZINC001146620308 1075081909 /nfs/dbraw/zinc/08/19/09/1075081909.db2.gz ZRGORTRJESEYHU-JFIYKMOQSA-N 1 0 391.472 -1.615 20 0 GAADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001146622054 1075081872 /nfs/dbraw/zinc/08/18/72/1075081872.db2.gz WWJCUQOWQQWCKF-BFYDXBDKSA-N 1 0 381.473 -1.056 20 0 GAADRO O=C(NCC(=O)N1CC[NH+](C2CCCCC2)CC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146628991 1075081330 /nfs/dbraw/zinc/08/13/30/1075081330.db2.gz RLXHHJJHOBTWHE-JFIYKMOQSA-N 1 0 381.473 -1.008 20 0 GAADRO O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146631763 1075082233 /nfs/dbraw/zinc/08/22/33/1075082233.db2.gz HUDYVONCIBLATG-BZUAXINKSA-N 1 0 397.453 -1.655 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1CC=CC1 ZINC001146702747 1075082062 /nfs/dbraw/zinc/08/20/62/1075082062.db2.gz VJRODIQQOFWXEC-XBMUNGEKSA-N 1 0 376.373 -1.641 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C1=CCCCC1 ZINC001146725765 1075082169 /nfs/dbraw/zinc/08/21/69/1075082169.db2.gz XIWFUHIVADLSCU-NKTGWMFESA-N 1 0 390.400 -1.106 20 0 GAADRO CC[NH+]1CCC(C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001146787076 1075082190 /nfs/dbraw/zinc/08/21/90/1075082190.db2.gz HSOKODCCIUNNQP-XKVFNRALSA-N 1 0 381.433 -1.465 20 0 GAADRO Cn1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1 ZINC001147014373 1075082654 /nfs/dbraw/zinc/08/26/54/1075082654.db2.gz XVUGGRJDCPXZCB-XBMUNGEKSA-N 1 0 389.372 -2.220 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccco1 ZINC001147096561 1075083048 /nfs/dbraw/zinc/08/30/48/1075083048.db2.gz INAKLTJBGPHOBX-BPTATDOASA-N 1 0 376.329 -1.965 20 0 GAADRO C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1C[N@H+](C)CCN1C ZINC001147353285 1075083067 /nfs/dbraw/zinc/08/30/67/1075083067.db2.gz VNVGRAZHCFKGMQ-CWCFIDOXSA-N 1 0 378.477 -1.339 20 0 GAADRO C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001147353286 1075083100 /nfs/dbraw/zinc/08/31/00/1075083100.db2.gz VNVGRAZHCFKGMQ-DPZJBDQQSA-N 1 0 378.477 -1.339 20 0 GAADRO C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1C[N@H+](C)CCN1C ZINC001147353287 1075082980 /nfs/dbraw/zinc/08/29/80/1075082980.db2.gz VNVGRAZHCFKGMQ-JPIRQXTESA-N 1 0 378.477 -1.339 20 0 GAADRO C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001147353288 1075083016 /nfs/dbraw/zinc/08/30/16/1075083016.db2.gz VNVGRAZHCFKGMQ-RBRCJPGISA-N 1 0 378.477 -1.339 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cscn1 ZINC001147369663 1075083029 /nfs/dbraw/zinc/08/30/29/1075083029.db2.gz IZJQXFJXESKYHF-HTFXMJNNSA-N 1 0 393.385 -2.102 20 0 GAADRO Nc1cn(C(=O)c2cc3n(n2)CCNC3=O)ccc1=[NH+]CCN1CCOCC1 ZINC001147538426 1075083723 /nfs/dbraw/zinc/08/37/23/1075083723.db2.gz CEWURMDWRHGVOC-UHFFFAOYSA-N 1 0 385.428 -1.068 20 0 GAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1cc2n(n1)CCNC2=O ZINC001147544468 1075083656 /nfs/dbraw/zinc/08/36/56/1075083656.db2.gz UQBCKMMTCOCDHJ-UHFFFAOYSA-N 1 0 394.413 -1.138 20 0 GAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)c1nccnc1C(N)=O ZINC001147752208 1075084512 /nfs/dbraw/zinc/08/45/12/1075084512.db2.gz LNIQGJXANYPSAS-UHFFFAOYSA-N 1 0 380.386 -1.189 20 0 GAADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001147831739 1075084694 /nfs/dbraw/zinc/08/46/94/1075084694.db2.gz UDNUXYZPMUGVPR-KBPBESRZSA-N 1 0 387.502 -1.015 20 0 GAADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001147831740 1075084788 /nfs/dbraw/zinc/08/47/88/1075084788.db2.gz UDNUXYZPMUGVPR-KGLIPLIRSA-N 1 0 387.502 -1.015 20 0 GAADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001147831741 1075084682 /nfs/dbraw/zinc/08/46/82/1075084682.db2.gz UDNUXYZPMUGVPR-UONOGXRCSA-N 1 0 387.502 -1.015 20 0 GAADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001147831742 1075084751 /nfs/dbraw/zinc/08/47/51/1075084751.db2.gz UDNUXYZPMUGVPR-ZIAGYGMSSA-N 1 0 387.502 -1.015 20 0 GAADRO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147974631 1075085063 /nfs/dbraw/zinc/08/50/63/1075085063.db2.gz BRWFVQOYNIEUJV-HBPKQKSZSA-N 1 0 381.429 -1.750 20 0 GAADRO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147974640 1075084997 /nfs/dbraw/zinc/08/49/97/1075084997.db2.gz BRWFVQOYNIEUJV-XSDHEKCYSA-N 1 0 381.429 -1.750 20 0 GAADRO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001148186896 1075085311 /nfs/dbraw/zinc/08/53/11/1075085311.db2.gz JSOCHYFFPFSUGN-AGIUHOORSA-N 1 0 380.401 -1.599 20 0 GAADRO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC001148186897 1075085289 /nfs/dbraw/zinc/08/52/89/1075085289.db2.gz JSOCHYFFPFSUGN-AVGNSLFASA-N 1 0 380.401 -1.599 20 0 GAADRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)cc2)CC1 ZINC001149010516 1075085604 /nfs/dbraw/zinc/08/56/04/1075085604.db2.gz JNRNICCFMCKXHJ-VDCDIQELSA-N 1 0 395.456 -1.642 20 0 GAADRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001149010523 1075085561 /nfs/dbraw/zinc/08/55/61/1075085561.db2.gz JNRNICCFMCKXHJ-VYIWNADRSA-N 1 0 395.456 -1.642 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)C(N)=O ZINC001149108509 1073897475 /nfs/dbraw/zinc/89/74/75/1073897475.db2.gz KUNJECWTIJOUER-OLZOCXBDSA-N 1 0 376.479 -1.666 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)C(N)=O ZINC001149108510 1073897275 /nfs/dbraw/zinc/89/72/75/1073897275.db2.gz KUNJECWTIJOUER-STQMWFEESA-N 1 0 376.479 -1.666 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1=CN2NC=CC=C2N1 ZINC001149448367 1073898161 /nfs/dbraw/zinc/89/81/61/1073898161.db2.gz LBLMCTQJOFNLOX-JSGCOSHPSA-N 1 0 398.427 -1.467 20 0 GAADRO [NH3+]CCN(CCNC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1)N(O)N=O ZINC001149839751 1073899495 /nfs/dbraw/zinc/89/94/95/1073899495.db2.gz ZBXBTBQLQCCGFT-UHFFFAOYSA-N 1 0 375.349 -1.151 20 0 GAADRO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCC[NH2+]CCO)cn32)C1 ZINC001150457792 1073903326 /nfs/dbraw/zinc/90/33/26/1073903326.db2.gz QHAGINLRHKFBQB-GFCCVEGCSA-N 1 0 396.473 -1.210 20 0 GAADRO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCC[NH2+]CCO)cn32)C1 ZINC001150457798 1073903218 /nfs/dbraw/zinc/90/32/18/1073903218.db2.gz QHAGINLRHKFBQB-LBPRGKRZSA-N 1 0 396.473 -1.210 20 0 GAADRO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NC4(C[NH3+])COC4)cn32)C1 ZINC001150459250 1073903284 /nfs/dbraw/zinc/90/32/84/1073903284.db2.gz ZCLLYWVNCUJQKE-LLVKDONJSA-N 1 0 394.457 -1.064 20 0 GAADRO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)NC4(C[NH3+])COC4)cn32)C1 ZINC001150459251 1073903320 /nfs/dbraw/zinc/90/33/20/1073903320.db2.gz ZCLLYWVNCUJQKE-NSHDSACASA-N 1 0 394.457 -1.064 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001151862204 1073905837 /nfs/dbraw/zinc/90/58/37/1073905837.db2.gz VUFPSPRATNNERW-GXTWGEPZSA-N 1 0 391.432 -1.235 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001151862209 1073905721 /nfs/dbraw/zinc/90/57/21/1073905721.db2.gz VUFPSPRATNNERW-JSGCOSHPSA-N 1 0 391.432 -1.235 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001151862211 1073905986 /nfs/dbraw/zinc/90/59/86/1073905986.db2.gz VUFPSPRATNNERW-OCCSQVGLSA-N 1 0 391.432 -1.235 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001151862214 1073905922 /nfs/dbraw/zinc/90/59/22/1073905922.db2.gz VUFPSPRATNNERW-TZMCWYRMSA-N 1 0 391.432 -1.235 20 0 GAADRO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)c(=O)n1 ZINC001151909655 1073905891 /nfs/dbraw/zinc/90/58/91/1073905891.db2.gz XAUIRWDTARVULF-XKVFNRALSA-N 1 0 386.368 -1.235 20 0 GAADRO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2ccc3c[nH+]cn3c2)c(=O)n1 ZINC001152206056 1073907189 /nfs/dbraw/zinc/90/71/89/1073907189.db2.gz CKKURUCRRLOXBU-XKVFNRALSA-N 1 0 386.368 -1.235 20 0 GAADRO C[NH+]1CCN(c2cc(C(=O)NC3(C(N)=O)CCS(=O)(=O)CC3)ccn2)CC1 ZINC001152337133 1073907020 /nfs/dbraw/zinc/90/70/20/1073907020.db2.gz ZMBQEBGBZLCNTB-UHFFFAOYSA-N 1 0 395.485 -1.004 20 0 GAADRO C[NH+](C)C[C@]1(O)CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001152645121 1073907736 /nfs/dbraw/zinc/90/77/36/1073907736.db2.gz QWAIASPGFRCRAJ-BLLLJJGKSA-N 1 0 386.474 -1.323 20 0 GAADRO C[NH+](C)C[C@@]1(O)CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001152645122 1073907645 /nfs/dbraw/zinc/90/76/45/1073907645.db2.gz QWAIASPGFRCRAJ-LRDDRELGSA-N 1 0 386.474 -1.323 20 0 GAADRO C[NH+](C)C[C@]1(O)CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001152645123 1073907631 /nfs/dbraw/zinc/90/76/31/1073907631.db2.gz QWAIASPGFRCRAJ-MLGOLLRUSA-N 1 0 386.474 -1.323 20 0 GAADRO C[NH+](C)C[C@@]1(O)CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC001152645124 1073907641 /nfs/dbraw/zinc/90/76/41/1073907641.db2.gz QWAIASPGFRCRAJ-WBMJQRKESA-N 1 0 386.474 -1.323 20 0 GAADRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ncn4c3nnn(C)c4=O)CC[C@@H]2C1 ZINC001152744623 1073908205 /nfs/dbraw/zinc/90/82/05/1073908205.db2.gz DCLVGVWRTWEENA-CHWSQXEVSA-N 1 0 391.432 -1.368 20 0 GAADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ncn3c1nnn(C)c3=O)CC2 ZINC001152745104 1073908941 /nfs/dbraw/zinc/90/89/41/1073908941.db2.gz NRKXAWBQXTWEJO-UHFFFAOYSA-N 1 0 388.432 -1.360 20 0 GAADRO Cn1nnc2c(C(=O)n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)ncn2c1=O ZINC001152747430 1073908980 /nfs/dbraw/zinc/90/89/80/1073908980.db2.gz RGWUYKQEMZNGPY-UHFFFAOYSA-N 1 0 399.415 -1.872 20 0 GAADRO Cn1nnc2c(C(=O)N(c3ccc(C[NH3+])cc3)S(C)(=O)=O)ncn2c1=O ZINC001152756654 1073909991 /nfs/dbraw/zinc/90/99/91/1073909991.db2.gz VVQIFMGCVSBRLI-UHFFFAOYSA-N 1 0 377.386 -1.112 20 0 GAADRO Cn1nnc2c(C(=O)n3cc(Br)ccc3=NCC[NH3+])ncn2c1=O ZINC001152760435 1073909904 /nfs/dbraw/zinc/90/99/04/1073909904.db2.gz YWSSRKNCSLGWQW-UHFFFAOYSA-N 1 0 393.205 -1.065 20 0 GAADRO Cn1nnc2c(C(=O)N[C@H]3CC[C@H](NC(=O)C[NH+](C)C)CC3)ncn2c1=O ZINC001152762201 1073909937 /nfs/dbraw/zinc/90/99/37/1073909937.db2.gz OWENFDPLYSLBCL-XYPYZODXSA-N 1 0 376.421 -1.458 20 0 GAADRO CN1CCn2nc(C(=O)NCC[N@H+](C)CCOCCO)cc2S1(=O)=O ZINC001153232324 1073911468 /nfs/dbraw/zinc/91/14/68/1073911468.db2.gz IFUMBDVPPDCJPC-UHFFFAOYSA-N 1 0 375.451 -1.812 20 0 GAADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001153332539 1073911484 /nfs/dbraw/zinc/91/14/84/1073911484.db2.gz GWMHEUCLVHZSIO-KBPBESRZSA-N 1 0 387.502 -1.015 20 0 GAADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001153332547 1073912075 /nfs/dbraw/zinc/91/20/75/1073912075.db2.gz GWMHEUCLVHZSIO-KGLIPLIRSA-N 1 0 387.502 -1.015 20 0 GAADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001153332551 1073912202 /nfs/dbraw/zinc/91/22/02/1073912202.db2.gz GWMHEUCLVHZSIO-UONOGXRCSA-N 1 0 387.502 -1.015 20 0 GAADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001153332555 1073912134 /nfs/dbraw/zinc/91/21/34/1073912134.db2.gz GWMHEUCLVHZSIO-ZIAGYGMSSA-N 1 0 387.502 -1.015 20 0 GAADRO C[NH+](C)CCn1nccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC001153995587 1073913284 /nfs/dbraw/zinc/91/32/84/1073913284.db2.gz VPHMYIIGESQAJW-UHFFFAOYSA-N 1 0 382.450 -1.291 20 0 GAADRO CCn1c2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc2[nH]c(=O)c1=O ZINC001154258636 1073914617 /nfs/dbraw/zinc/91/46/17/1073914617.db2.gz VPNBAZQATKLRNN-UHFFFAOYSA-N 1 0 379.377 -1.012 20 0 GAADRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001154748379 1073915842 /nfs/dbraw/zinc/91/58/42/1073915842.db2.gz ZEUMGLAOHWUSFB-HNNXBMFYSA-N 1 0 392.508 -1.328 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])c1cc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001154766365 1073915975 /nfs/dbraw/zinc/91/59/75/1073915975.db2.gz VMRMEOKDFPMMEF-UHFFFAOYSA-N 1 0 386.478 -1.126 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001154766460 1073915887 /nfs/dbraw/zinc/91/58/87/1073915887.db2.gz ZXSRSXJDPXANHT-UHFFFAOYSA-N 1 0 387.466 -1.731 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001154771219 1073915984 /nfs/dbraw/zinc/91/59/84/1073915984.db2.gz VPOXZDRXKNSTMN-UHFFFAOYSA-N 1 0 376.460 -1.323 20 0 GAADRO COC(=O)[C@H]1CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CCN1C ZINC001155214395 1073917965 /nfs/dbraw/zinc/91/79/65/1073917965.db2.gz HMQSICPNSHAZMI-CYBMUJFWSA-N 1 0 383.474 -1.138 20 0 GAADRO COC(=O)[C@@H]1CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CCN1C ZINC001155214399 1073917830 /nfs/dbraw/zinc/91/78/30/1073917830.db2.gz HMQSICPNSHAZMI-ZDUSSCGKSA-N 1 0 383.474 -1.138 20 0 GAADRO COC(=O)[C@@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(C)(C)[NH3+] ZINC001155368141 1073917841 /nfs/dbraw/zinc/91/78/41/1073917841.db2.gz AZQCXRAHFSLJOZ-GFCCVEGCSA-N 1 0 395.464 -1.343 20 0 GAADRO C1[NH2+]CC12CCOC[C@@H]2Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001155460861 1073917812 /nfs/dbraw/zinc/91/78/12/1073917812.db2.gz CJMJDOPQAOLVLK-AWEZNQCLSA-N 1 0 391.476 -1.243 20 0 GAADRO C1[NH2+]CC12CCOC[C@H]2Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001155460862 1073917656 /nfs/dbraw/zinc/91/76/56/1073917656.db2.gz CJMJDOPQAOLVLK-CQSZACIVSA-N 1 0 391.476 -1.243 20 0 GAADRO C(Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155483065 1073917712 /nfs/dbraw/zinc/91/77/12/1073917712.db2.gz NAIAFTZYMTZGMD-RBSFLKMASA-N 1 0 391.476 -1.387 20 0 GAADRO C1OC[C@H]2[NH2+]C[C@@H](Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)[C@@H]12 ZINC001155502624 1073917687 /nfs/dbraw/zinc/91/76/87/1073917687.db2.gz JZGKRKPDNGJVML-MGPQQGTHSA-N 1 0 377.449 -1.635 20 0 GAADRO C(Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001155510339 1073917774 /nfs/dbraw/zinc/91/77/74/1073917774.db2.gz UBNOVXQYZVYKLB-KSSFIOAISA-N 1 0 391.476 -1.385 20 0 GAADRO C(Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155537511 1073918503 /nfs/dbraw/zinc/91/85/03/1073918503.db2.gz NCHAWWAJVSEFTN-CXAGYDPISA-N 1 0 377.449 -1.491 20 0 GAADRO O=C1C[C@H]2[NH2+]CC[C@@]2([N-]c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)N1 ZINC001155571019 1073918478 /nfs/dbraw/zinc/91/84/78/1073918478.db2.gz QTDLVDCLBCVZEK-PXAZEXFGSA-N 1 0 390.448 -1.465 20 0 GAADRO O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)N1 ZINC001155571020 1073918571 /nfs/dbraw/zinc/91/85/71/1073918571.db2.gz QTDLVDCLBCVZEK-SJCJKPOMSA-N 1 0 390.448 -1.465 20 0 GAADRO O=C1C[C@H]2[NH2+]CC[C@]2([N-]c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)N1 ZINC001155571021 1073918535 /nfs/dbraw/zinc/91/85/35/1073918535.db2.gz QTDLVDCLBCVZEK-SJKOYZFVSA-N 1 0 390.448 -1.465 20 0 GAADRO O=C1C[C@@H]2[NH2+]CC[C@]2([N-]c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)N1 ZINC001155571022 1073918558 /nfs/dbraw/zinc/91/85/58/1073918558.db2.gz QTDLVDCLBCVZEK-YVEFUNNKSA-N 1 0 390.448 -1.465 20 0 GAADRO O=C(c1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc1)N1CCS(=O)(=O)CC1 ZINC001155580590 1073918471 /nfs/dbraw/zinc/91/84/71/1073918471.db2.gz MISBEPKRRCIHQH-BLLLJJGKSA-N 1 0 379.442 -1.058 20 0 GAADRO O=C(c1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc1)N1CCS(=O)(=O)CC1 ZINC001155580591 1073918604 /nfs/dbraw/zinc/91/86/04/1073918604.db2.gz MISBEPKRRCIHQH-LRDDRELGSA-N 1 0 379.442 -1.058 20 0 GAADRO O=C(c1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc1)N1CCS(=O)(=O)CC1 ZINC001155580592 1073918495 /nfs/dbraw/zinc/91/84/95/1073918495.db2.gz MISBEPKRRCIHQH-MLGOLLRUSA-N 1 0 379.442 -1.058 20 0 GAADRO O=C(c1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc1)N1CCS(=O)(=O)CC1 ZINC001155580593 1073918490 /nfs/dbraw/zinc/91/84/90/1073918490.db2.gz MISBEPKRRCIHQH-WBMJQRKESA-N 1 0 379.442 -1.058 20 0 GAADRO C1C[C@H]2[NH2+]C[C@H](Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)[C@H]2O1 ZINC001155634480 1073918592 /nfs/dbraw/zinc/91/85/92/1073918592.db2.gz CLMNXWQMRGFHAN-RDBSUJKOSA-N 1 0 377.449 -1.492 20 0 GAADRO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cccc3c[nH+]cn32)c(=O)n1 ZINC001155800419 1073919101 /nfs/dbraw/zinc/91/91/01/1073919101.db2.gz ZZZBJWLMEDHVOM-XKVFNRALSA-N 1 0 386.368 -1.235 20 0 GAADRO COC(=O)c1cnc(N(CC[NH3+])CCO)c(S(=O)(=O)N2CCOCC2)c1 ZINC001155954175 1073919826 /nfs/dbraw/zinc/91/98/26/1073919826.db2.gz XLNQXFFEPNPIES-UHFFFAOYSA-N 1 0 388.446 -1.354 20 0 GAADRO O=S1(=O)C=C[C@@H](Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001156061571 1073919879 /nfs/dbraw/zinc/91/98/79/1073919879.db2.gz PLEGEPWGNPKDMF-GFCCVEGCSA-N 1 0 382.446 -1.311 20 0 GAADRO O=S1(=O)C=C[C@H](Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001156061591 1073919858 /nfs/dbraw/zinc/91/98/58/1073919858.db2.gz PLEGEPWGNPKDMF-LBPRGKRZSA-N 1 0 382.446 -1.311 20 0 GAADRO CN(c1nc(N2CCOCC2)nc(N2CCOCC2)n1)S(=O)(=O)CC[NH3+] ZINC001156231496 1073920827 /nfs/dbraw/zinc/92/08/27/1073920827.db2.gz IVKKQBJXJJETNS-UHFFFAOYSA-N 1 0 387.466 -1.731 20 0 GAADRO CN(c1cc(N2CCOCC2)nc(N2CCOCC2)n1)S(=O)(=O)CC[NH3+] ZINC001156232295 1073920853 /nfs/dbraw/zinc/92/08/53/1073920853.db2.gz VLVGDXWAUGDZMB-UHFFFAOYSA-N 1 0 386.478 -1.126 20 0 GAADRO CN(c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)S(=O)(=O)CC[NH3+] ZINC001156240656 1073921183 /nfs/dbraw/zinc/92/11/83/1073921183.db2.gz TXLJFGMXKRQZHC-UHFFFAOYSA-N 1 0 376.460 -1.323 20 0 GAADRO O=c1[nH][nH]cc1CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001156278225 1073921163 /nfs/dbraw/zinc/92/11/63/1073921163.db2.gz MLBBWJILOZFZMB-CYBMUJFWSA-N 1 0 390.448 -1.109 20 0 GAADRO O=c1[nH][nH]cc1CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001156278226 1073920915 /nfs/dbraw/zinc/92/09/15/1073920915.db2.gz MLBBWJILOZFZMB-ZDUSSCGKSA-N 1 0 390.448 -1.109 20 0 GAADRO CN1C[C@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCC1=O ZINC001156562529 1073921144 /nfs/dbraw/zinc/92/11/44/1073921144.db2.gz MCNBXALMZWMWPZ-CYBMUJFWSA-N 1 0 377.449 -1.001 20 0 GAADRO CN1C[C@@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CCC1=O ZINC001156562532 1073921040 /nfs/dbraw/zinc/92/10/40/1073921040.db2.gz MCNBXALMZWMWPZ-ZDUSSCGKSA-N 1 0 377.449 -1.001 20 0 GAADRO Cn1c(=O)cc(Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)n(C)c1=O ZINC001156952770 1073923036 /nfs/dbraw/zinc/92/30/36/1073923036.db2.gz JRNLUXZCJWNDAK-UHFFFAOYSA-N 1 0 380.430 -1.291 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001156962946 1073923083 /nfs/dbraw/zinc/92/30/83/1073923083.db2.gz VJAYAOICOQGKSG-UHFFFAOYSA-N 1 0 391.538 -1.474 20 0 GAADRO COC(=O)c1cnc(-n2nnc(CC[NH3+])n2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001156990202 1073923108 /nfs/dbraw/zinc/92/31/08/1073923108.db2.gz WCVPAUIPBKDRSW-UHFFFAOYSA-N 1 0 397.417 -1.634 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157081624 1073923059 /nfs/dbraw/zinc/92/30/59/1073923059.db2.gz BYVSWRAVLQOKQG-AAEUAGOBSA-N 1 0 378.433 -1.264 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cc2n(n1)CCCO2 ZINC001157083557 1073922956 /nfs/dbraw/zinc/92/29/56/1073922956.db2.gz VTFKDKUCAWYZKJ-UHFFFAOYSA-N 1 0 381.393 -3.411 20 0 GAADRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001157114159 1073923718 /nfs/dbraw/zinc/92/37/18/1073923718.db2.gz BTTNLMDPLVTNMG-CYBMUJFWSA-N 1 0 395.464 -1.341 20 0 GAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001157193215 1073923747 /nfs/dbraw/zinc/92/37/47/1073923747.db2.gz BDMCWHPBFBKLDB-FUDCBSFHSA-N 1 0 392.464 -1.622 20 0 GAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157302905 1073923658 /nfs/dbraw/zinc/92/36/58/1073923658.db2.gz BIQNIXDHJGCMKO-KBPBESRZSA-N 1 0 375.429 -1.735 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001157303385 1073923802 /nfs/dbraw/zinc/92/38/02/1073923802.db2.gz GSQBSKDVJRVCEQ-ZDUSSCGKSA-N 1 0 399.473 -2.464 20 0 GAADRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001157303431 1073923699 /nfs/dbraw/zinc/92/36/99/1073923699.db2.gz HSFMRNYKZKUFMG-GJZGRUSLSA-N 1 0 391.472 -1.195 20 0 GAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157303433 1073923902 /nfs/dbraw/zinc/92/39/02/1073923902.db2.gz HUVKWBMLRWSVJN-KBPBESRZSA-N 1 0 375.429 -2.354 20 0 GAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157303439 1073923781 /nfs/dbraw/zinc/92/37/81/1073923781.db2.gz HUVKWBMLRWSVJN-UONOGXRCSA-N 1 0 375.429 -2.354 20 0 GAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157304520 1073923809 /nfs/dbraw/zinc/92/38/09/1073923809.db2.gz ZKBTWOFTIDHCJZ-GJZGRUSLSA-N 1 0 389.456 -1.345 20 0 GAADRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001157308906 1073924440 /nfs/dbraw/zinc/92/44/40/1073924440.db2.gz ADFYCSAADDWWMD-HOTGVXAUSA-N 1 0 391.472 -1.051 20 0 GAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001157308930 1073924311 /nfs/dbraw/zinc/92/43/11/1073924311.db2.gz AWFUSWQKNLJTQM-CVEARBPZSA-N 1 0 390.488 -1.934 20 0 GAADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001157308931 1073924253 /nfs/dbraw/zinc/92/42/53/1073924253.db2.gz AWFUSWQKNLJTQM-HOTGVXAUSA-N 1 0 390.488 -1.934 20 0 GAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001157309117 1073924339 /nfs/dbraw/zinc/92/43/39/1073924339.db2.gz DFUJXSLLCJOJDS-JDFRZJQESA-N 1 0 391.472 -1.195 20 0 GAADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)C[C@@H](O)C[NH3+])ccc12 ZINC001157364745 1073924577 /nfs/dbraw/zinc/92/45/77/1073924577.db2.gz HIXUJFCQKPXQIT-GFCCVEGCSA-N 1 0 390.396 -1.018 20 0 GAADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)C[C@H](O)C[NH3+])ccc12 ZINC001157364746 1073924395 /nfs/dbraw/zinc/92/43/95/1073924395.db2.gz HIXUJFCQKPXQIT-LBPRGKRZSA-N 1 0 390.396 -1.018 20 0 GAADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC[NH3+])ccc12 ZINC001157364918 1073924472 /nfs/dbraw/zinc/92/44/72/1073924472.db2.gz NNIBQRSOBHNDEC-ZDUSSCGKSA-N 1 0 389.412 -1.052 20 0 GAADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H](N)C[NH3+])ccc12 ZINC001157365246 1073924493 /nfs/dbraw/zinc/92/44/93/1073924493.db2.gz VVQAOEGPDKXPRK-LBPRGKRZSA-N 1 0 375.385 -1.442 20 0 GAADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378934 1073925210 /nfs/dbraw/zinc/92/52/10/1073925210.db2.gz GQYSBFMNEJLJNR-KBPBESRZSA-N 1 0 385.465 -2.164 20 0 GAADRO Cn1nnc2c(C(=O)N[C@@H](CCCC[NH3+])C(=O)N3CCCC3)ncn2c1=O ZINC001157404277 1073925026 /nfs/dbraw/zinc/92/50/26/1073925026.db2.gz OLLDQQDLGJDAJW-NSHDSACASA-N 1 0 376.421 -1.327 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421692 1073925140 /nfs/dbraw/zinc/92/51/40/1073925140.db2.gz AJWUFXSZSHFCNK-CMNJCQDJSA-N 1 0 380.441 -1.311 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC(=N)n1nnc2ccccc21 ZINC001157421914 1073924976 /nfs/dbraw/zinc/92/49/76/1073924976.db2.gz CKOLEPUKLDESDG-GWCFXTLKSA-N 1 0 386.416 -1.215 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157422463 1073925183 /nfs/dbraw/zinc/92/51/83/1073925183.db2.gz GIJOPPPTDGBCKV-BBDLJKNJSA-N 1 0 386.367 -1.123 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157422464 1073924997 /nfs/dbraw/zinc/92/49/97/1073924997.db2.gz GIJOPPPTDGBCKV-BTHHDRIZSA-N 1 0 386.367 -1.123 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CC[C@H](C(F)(F)F)C[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157422465 1073925251 /nfs/dbraw/zinc/92/52/51/1073925251.db2.gz GIJOPPPTDGBCKV-LVLQYJHRSA-N 1 0 386.367 -1.123 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157422466 1073924913 /nfs/dbraw/zinc/92/49/13/1073924913.db2.gz GIJOPPPTDGBCKV-RACQDCERSA-N 1 0 386.367 -1.123 20 0 GAADRO C[NH2+][C@H](C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)OC(C)(C)C ZINC001157423130 1073925083 /nfs/dbraw/zinc/92/50/83/1073925083.db2.gz KPXFXPCGFPFINW-LHGYAUNYSA-N 1 0 378.466 -1.262 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)CN2CCCC[C@H]([NH3+])C2=O)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423150 1073925107 /nfs/dbraw/zinc/92/51/07/1073925107.db2.gz KRKFIJICLYTZBR-HGADGRJFSA-N 1 0 375.422 -2.714 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423207 1073924931 /nfs/dbraw/zinc/92/49/31/1073924931.db2.gz LNMQFJYCYGFMLH-BBDLJKNJSA-N 1 0 386.367 -1.123 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423742 1073925126 /nfs/dbraw/zinc/92/51/26/1073925126.db2.gz ONEYLLHIQBJZOU-YVCXHOHASA-N 1 0 376.450 -1.508 20 0 GAADRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001157423752 1073924957 /nfs/dbraw/zinc/92/49/57/1073924957.db2.gz OTSXVTCMDRUDHD-HGADGRJFSA-N 1 0 392.449 -1.734 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423790 1073925259 /nfs/dbraw/zinc/92/52/59/1073925259.db2.gz QHBFQHGAZQINSW-ZYJFBCHUSA-N 1 0 385.439 -3.833 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157424178 1073925775 /nfs/dbraw/zinc/92/57/75/1073925775.db2.gz QXKZHTLARDXIGO-BDKIRYERSA-N 1 0 388.461 -1.505 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157424272 1073925703 /nfs/dbraw/zinc/92/57/03/1073925703.db2.gz QXKZHTLARDXIGO-DHNDPKGQSA-N 1 0 388.461 -1.505 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157424273 1073925843 /nfs/dbraw/zinc/92/58/43/1073925843.db2.gz QXKZHTLARDXIGO-KEAYZLOZSA-N 1 0 388.461 -1.505 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157424274 1073925860 /nfs/dbraw/zinc/92/58/60/1073925860.db2.gz QXKZHTLARDXIGO-YYCZLEPPSA-N 1 0 388.461 -1.505 20 0 GAADRO C[NH2+][C@@H](COCc1ccccc1)C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001157424323 1073925904 /nfs/dbraw/zinc/92/59/04/1073925904.db2.gz RSCGTTMENAHAOT-HGOLCKAWSA-N 1 0 398.456 -1.249 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157424347 1073925782 /nfs/dbraw/zinc/92/57/82/1073925782.db2.gz SBUFKCVXGHUTLF-WIALDJIHSA-N 1 0 392.449 -1.604 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157425039 1073925917 /nfs/dbraw/zinc/92/59/17/1073925917.db2.gz YVFAQGIYWCMMMM-AOMHAQMOSA-N 1 0 387.477 -1.979 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157425042 1073925768 /nfs/dbraw/zinc/92/57/68/1073925768.db2.gz YVFAQGIYWCMMMM-DWJKSEGXSA-N 1 0 387.477 -1.979 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157425043 1073925692 /nfs/dbraw/zinc/92/56/92/1073925692.db2.gz YVFAQGIYWCMMMM-YHIZCSNESA-N 1 0 387.477 -1.979 20 0 GAADRO C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157425045 1073925661 /nfs/dbraw/zinc/92/56/61/1073925661.db2.gz YVFAQGIYWCMMMM-YOSHUYMLSA-N 1 0 387.477 -1.979 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCCNC(=O)C(F)(F)Br ZINC001157432419 1073925750 /nfs/dbraw/zinc/92/57/50/1073925750.db2.gz BQHBENNAFRRKFE-UHFFFAOYSA-N 1 0 395.226 -1.573 20 0 GAADRO CS(=O)(=O)c1nc2c(c(NC3CN(S(C)(=O)=O)C3)n1)CC[NH2+]CC2 ZINC001157437847 1073925927 /nfs/dbraw/zinc/92/59/27/1073925927.db2.gz CSYOUYQBXWNLQH-UHFFFAOYSA-N 1 0 375.476 -1.376 20 0 GAADRO CCOC(=O)c1c[nH]nc1CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157449057 1073925796 /nfs/dbraw/zinc/92/57/96/1073925796.db2.gz QMHZELKJZPJZFT-GWCFXTLKSA-N 1 0 394.432 -1.343 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCN(C)C(=O)C1 ZINC001157484970 1073925829 /nfs/dbraw/zinc/92/58/29/1073925829.db2.gz JFAHSRMJKBQKPS-KBPBESRZSA-N 1 0 381.477 -1.314 20 0 GAADRO CNC(=O)C1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001157495914 1073925674 /nfs/dbraw/zinc/92/56/74/1073925674.db2.gz ODTWUXJFVYCSBV-HOTGVXAUSA-N 1 0 392.456 -1.276 20 0 GAADRO COC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001157507958 1073926444 /nfs/dbraw/zinc/92/64/44/1073926444.db2.gz MPUZTEISIJWPHB-GJZGRUSLSA-N 1 0 394.428 -1.350 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521763 1073926613 /nfs/dbraw/zinc/92/66/13/1073926613.db2.gz LBLQJWFEZRXCNC-BQBZGAKWSA-N 1 0 377.327 -1.654 20 0 GAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545374 1073926550 /nfs/dbraw/zinc/92/65/50/1073926550.db2.gz RMWNPCBGYIHSQY-QPSCCSFWSA-N 1 0 397.451 -1.388 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001157568075 1073926488 /nfs/dbraw/zinc/92/64/88/1073926488.db2.gz QVXUBDFKADBGOM-NEPJUHHUSA-N 1 0 381.433 -2.346 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001157568076 1073926383 /nfs/dbraw/zinc/92/63/83/1073926383.db2.gz QVXUBDFKADBGOM-NWDGAFQWSA-N 1 0 381.433 -2.346 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001157568077 1073926574 /nfs/dbraw/zinc/92/65/74/1073926574.db2.gz QVXUBDFKADBGOM-RYUDHWBXSA-N 1 0 381.433 -2.346 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001157568078 1073926469 /nfs/dbraw/zinc/92/64/69/1073926469.db2.gz QVXUBDFKADBGOM-VXGBXAGGSA-N 1 0 381.433 -2.346 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001157628611 1073926989 /nfs/dbraw/zinc/92/69/89/1073926989.db2.gz HBTPFTXDQLCCNG-JSGCOSHPSA-N 1 0 378.429 -1.116 20 0 GAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC(C)([NH3+])C1 ZINC001157652123 1073927182 /nfs/dbraw/zinc/92/71/82/1073927182.db2.gz WEZVEJGKPRWWPV-KBPBESRZSA-N 1 0 379.461 -1.336 20 0 GAADRO C[C@@H]1c2ccccc2CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157693869 1073927162 /nfs/dbraw/zinc/92/71/62/1073927162.db2.gz HRMZAXZZXHRUQD-GFCCVEGCSA-N 1 0 375.429 -1.560 20 0 GAADRO C[C@H]1c2ccccc2CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157693870 1073927259 /nfs/dbraw/zinc/92/72/59/1073927259.db2.gz HRMZAXZZXHRUQD-LBPRGKRZSA-N 1 0 375.429 -1.560 20 0 GAADRO COC(=O)[C@]1(F)CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001157715531 1073927101 /nfs/dbraw/zinc/92/71/01/1073927101.db2.gz FYMKSWBMWDYPQU-DEYYWGMASA-N 1 0 397.403 -1.147 20 0 GAADRO COC(=O)[C@@]1(F)CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001157715532 1073927038 /nfs/dbraw/zinc/92/70/38/1073927038.db2.gz FYMKSWBMWDYPQU-SUNYJGFJSA-N 1 0 397.403 -1.147 20 0 GAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157729083 1073927795 /nfs/dbraw/zinc/92/77/95/1073927795.db2.gz COVLDHQYZUQDKI-SDADXPQNSA-N 1 0 383.420 -1.082 20 0 GAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157729084 1073927961 /nfs/dbraw/zinc/92/79/61/1073927961.db2.gz COVLDHQYZUQDKI-VDERGJSUSA-N 1 0 383.420 -1.082 20 0 GAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157729085 1073927928 /nfs/dbraw/zinc/92/79/28/1073927928.db2.gz COVLDHQYZUQDKI-VRKREXBASA-N 1 0 383.420 -1.082 20 0 GAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157729086 1073927978 /nfs/dbraw/zinc/92/79/78/1073927978.db2.gz COVLDHQYZUQDKI-XRGAULLZSA-N 1 0 383.420 -1.082 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157731545 1073927825 /nfs/dbraw/zinc/92/78/25/1073927825.db2.gz YYCBPEYSZKSWJW-SECBINFHSA-N 1 0 379.364 -3.088 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157731554 1073927781 /nfs/dbraw/zinc/92/77/81/1073927781.db2.gz YYCBPEYSZKSWJW-VIFPVBQESA-N 1 0 379.364 -3.088 20 0 GAADRO COC(=O)[C@H]1CN(C)CCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157766551 1073927990 /nfs/dbraw/zinc/92/79/90/1073927990.db2.gz KBMHUZNFWRQVMD-CYBMUJFWSA-N 1 0 383.474 -1.138 20 0 GAADRO COC(=O)[C@@H]1CN(C)CCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157766552 1073927901 /nfs/dbraw/zinc/92/79/01/1073927901.db2.gz KBMHUZNFWRQVMD-ZDUSSCGKSA-N 1 0 383.474 -1.138 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157780617 1073927734 /nfs/dbraw/zinc/92/77/34/1073927734.db2.gz HMGGNKNDVDCSCA-HNNXBMFYSA-N 1 0 375.401 -2.993 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@](O)(CF)CC1 ZINC001157780619 1073927768 /nfs/dbraw/zinc/92/77/68/1073927768.db2.gz HMGGNKNDVDCSCA-OAHLLOKOSA-N 1 0 375.401 -2.993 20 0 GAADRO C[C@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC1(F)F ZINC001157850269 1073927947 /nfs/dbraw/zinc/92/79/47/1073927947.db2.gz XOHVEVOTQXXMMC-JTQLQIEISA-N 1 0 377.392 -1.813 20 0 GAADRO C[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC1(F)F ZINC001157850275 1073927909 /nfs/dbraw/zinc/92/79/09/1073927909.db2.gz XOHVEVOTQXXMMC-SNVBAGLBSA-N 1 0 377.392 -1.813 20 0 GAADRO CN(Cc1cnc(Cl)s1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157853467 1073927753 /nfs/dbraw/zinc/92/77/53/1073927753.db2.gz DCQUQMGRPOPKCF-UHFFFAOYSA-N 1 0 390.853 -1.938 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862507 1073927832 /nfs/dbraw/zinc/92/78/32/1073927832.db2.gz GYAUTTIGVFTPJN-JQWIXIFHSA-N 1 0 379.417 -2.199 20 0 GAADRO CC(=O)CN(C)C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001157862949 1073927936 /nfs/dbraw/zinc/92/79/36/1073927936.db2.gz NAYSBXFEEKHZGZ-HUBLWGQQSA-N 1 0 388.440 -1.065 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157863142 1073927861 /nfs/dbraw/zinc/92/78/61/1073927861.db2.gz VCWZUFOKKCNDJD-UHFFFAOYSA-N 1 0 382.377 -4.347 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157877536 1073928599 /nfs/dbraw/zinc/92/85/99/1073928599.db2.gz HKIIANUSNUAOMZ-BDAKNGLRSA-N 1 0 397.354 -3.077 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157877647 1073928618 /nfs/dbraw/zinc/92/86/18/1073928618.db2.gz MAJHOJYMRQBIBQ-UWVGGRQHSA-N 1 0 383.840 -1.514 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157877943 1073928498 /nfs/dbraw/zinc/92/84/98/1073928498.db2.gz UAEUPTJWCLHFOX-UHFFFAOYSA-N 1 0 376.870 -1.001 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCCNC(=O)C1 ZINC001157889058 1073928573 /nfs/dbraw/zinc/92/85/73/1073928573.db2.gz IGCGCDJHBUHBHX-KBPBESRZSA-N 1 0 381.477 -1.266 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001157889505 1073928540 /nfs/dbraw/zinc/92/85/40/1073928540.db2.gz JJLOWZHSLWBCIW-CYBMUJFWSA-N 1 0 399.345 -1.956 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001157889506 1073928477 /nfs/dbraw/zinc/92/84/77/1073928477.db2.gz JJLOWZHSLWBCIW-ZDUSSCGKSA-N 1 0 399.345 -1.956 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900740 1073928460 /nfs/dbraw/zinc/92/84/60/1073928460.db2.gz QJMUIIYAALDFFB-SRVKXCTJSA-N 1 0 376.404 -1.083 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900741 1073928586 /nfs/dbraw/zinc/92/85/86/1073928586.db2.gz QJMUIIYAALDFFB-TUAOUCFPSA-N 1 0 376.404 -1.083 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157905512 1073928553 /nfs/dbraw/zinc/92/85/53/1073928553.db2.gz USDOEDCPGKTUHO-FXUDXRNXSA-N 1 0 398.504 -1.413 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157905513 1073928423 /nfs/dbraw/zinc/92/84/23/1073928423.db2.gz USDOEDCPGKTUHO-UGUYLWEFSA-N 1 0 398.504 -1.413 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157905514 1073928563 /nfs/dbraw/zinc/92/85/63/1073928563.db2.gz USDOEDCPGKTUHO-VGWMRTNUSA-N 1 0 398.504 -1.413 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157905515 1073928391 /nfs/dbraw/zinc/92/83/91/1073928391.db2.gz USDOEDCPGKTUHO-YHUYYLMFSA-N 1 0 398.504 -1.413 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157934058 1073929067 /nfs/dbraw/zinc/92/90/67/1073929067.db2.gz GNGJXXFLVUEMDG-HNNXBMFYSA-N 1 0 375.401 -2.993 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@](F)(CO)CC1 ZINC001157934059 1073929017 /nfs/dbraw/zinc/92/90/17/1073929017.db2.gz GNGJXXFLVUEMDG-OAHLLOKOSA-N 1 0 375.401 -2.993 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157934961 1073929314 /nfs/dbraw/zinc/92/93/14/1073929314.db2.gz PSDDUFDJXXZIOB-DWURIKNASA-N 1 0 386.346 -1.052 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157934962 1073929278 /nfs/dbraw/zinc/92/92/78/1073929278.db2.gz PSDDUFDJXXZIOB-NMSKTSORSA-N 1 0 386.346 -1.052 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157934963 1073929295 /nfs/dbraw/zinc/92/92/95/1073929295.db2.gz PSDDUFDJXXZIOB-YDEXJTGXSA-N 1 0 386.346 -1.052 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157934964 1073929215 /nfs/dbraw/zinc/92/92/15/1073929215.db2.gz PSDDUFDJXXZIOB-YFBYITSOSA-N 1 0 386.346 -1.052 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157937615 1073928993 /nfs/dbraw/zinc/92/89/93/1073928993.db2.gz XXYOBVKPJHZOJB-FXUDXRNXSA-N 1 0 398.504 -1.413 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157937616 1073928973 /nfs/dbraw/zinc/92/89/73/1073928973.db2.gz XXYOBVKPJHZOJB-UGUYLWEFSA-N 1 0 398.504 -1.413 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157937617 1073929244 /nfs/dbraw/zinc/92/92/44/1073929244.db2.gz XXYOBVKPJHZOJB-VGWMRTNUSA-N 1 0 398.504 -1.413 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157937618 1073928986 /nfs/dbraw/zinc/92/89/86/1073928986.db2.gz XXYOBVKPJHZOJB-YHUYYLMFSA-N 1 0 398.504 -1.413 20 0 GAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCNCC(F)(F)C1 ZINC001157944264 1073928951 /nfs/dbraw/zinc/92/89/51/1073928951.db2.gz JEYBNAJRSPEFPO-KBPBESRZSA-N 1 0 386.399 -1.194 20 0 GAADRO C[C@]1(CF)CC(F)(F)CN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157951796 1073929080 /nfs/dbraw/zinc/92/90/80/1073929080.db2.gz FWROVYSPFFJAKB-CYBMUJFWSA-N 1 0 381.355 -2.111 20 0 GAADRO C[C@@]1(CF)CC(F)(F)CN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157951798 1073929146 /nfs/dbraw/zinc/92/91/46/1073929146.db2.gz FWROVYSPFFJAKB-ZDUSSCGKSA-N 1 0 381.355 -2.111 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(OC2CCC2)CC1 ZINC001157959743 1073929190 /nfs/dbraw/zinc/92/91/90/1073929190.db2.gz FJFABZURVMFJKR-UHFFFAOYSA-N 1 0 383.449 -2.146 20 0 GAADRO C[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])Cc2ccccc21 ZINC001157982577 1073930093 /nfs/dbraw/zinc/93/00/93/1073930093.db2.gz PMVLPJFFNHWTOE-LBPRGKRZSA-N 1 0 375.429 -1.560 20 0 GAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157999286 1073930007 /nfs/dbraw/zinc/93/00/07/1073930007.db2.gz PXYCLNFTDAUGQB-JTQLQIEISA-N 1 0 386.409 -4.343 20 0 GAADRO CCOC(=O)[C@H]1CNCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157999287 1073929658 /nfs/dbraw/zinc/92/96/58/1073929658.db2.gz PXYCLNFTDAUGQB-SNVBAGLBSA-N 1 0 386.409 -4.343 20 0 GAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001158000511 1073930078 /nfs/dbraw/zinc/93/00/78/1073930078.db2.gz YNRIRSKQIKPELC-GXTWGEPZSA-N 1 0 378.433 -1.323 20 0 GAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001158000514 1073929777 /nfs/dbraw/zinc/92/97/77/1073929777.db2.gz YNRIRSKQIKPELC-JSGCOSHPSA-N 1 0 378.433 -1.323 20 0 GAADRO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158007235 1073929983 /nfs/dbraw/zinc/92/99/83/1073929983.db2.gz RXYSXZCNQFTWLE-AVGNSLFASA-N 1 0 383.449 -2.196 20 0 GAADRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158007236 1073930042 /nfs/dbraw/zinc/93/00/42/1073930042.db2.gz RXYSXZCNQFTWLE-RWMBFGLXSA-N 1 0 383.449 -2.196 20 0 GAADRO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001158016256 1073929752 /nfs/dbraw/zinc/92/97/52/1073929752.db2.gz VPDSYJMMFULFCO-IUCAKERBSA-N 1 0 375.357 -3.594 20 0 GAADRO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001158016685 1073929821 /nfs/dbraw/zinc/92/98/21/1073929821.db2.gz YXVNVFJLBDRLAU-MXAVVETBSA-N 1 0 397.403 -1.149 20 0 GAADRO CN(C)S(=O)(=O)CCNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001158021285 1073929694 /nfs/dbraw/zinc/92/96/94/1073929694.db2.gz HWLIBECJKHLROI-UHFFFAOYSA-N 1 0 377.492 -1.128 20 0 GAADRO COC(=O)c1cnc(-n2nnnc2C[NH3+])c(S(=O)(=O)N2CCOCC2)c1 ZINC001158079902 1073929895 /nfs/dbraw/zinc/92/98/95/1073929895.db2.gz CJZQQUQZXUZAIE-UHFFFAOYSA-N 1 0 383.390 -1.677 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@H]2CCO)CC1 ZINC001158110407 1073931161 /nfs/dbraw/zinc/93/11/61/1073931161.db2.gz HBKSRUVPEKBJJT-GFCCVEGCSA-N 1 0 383.449 -2.695 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158110408 1073931064 /nfs/dbraw/zinc/93/10/64/1073931064.db2.gz HBKSRUVPEKBJJT-LBPRGKRZSA-N 1 0 383.449 -2.695 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319397 1073932987 /nfs/dbraw/zinc/93/29/87/1073932987.db2.gz GJWQBOOTDFIESY-BDAKNGLRSA-N 1 0 377.348 -3.214 20 0 GAADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC2(CC1)COCC(=O)N2 ZINC001158325502 1073932881 /nfs/dbraw/zinc/93/28/81/1073932881.db2.gz CHUDHYNJNYOOPJ-CYBMUJFWSA-N 1 0 385.486 -1.092 20 0 GAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC2(CC1)COCC(=O)N2 ZINC001158325503 1073933012 /nfs/dbraw/zinc/93/30/12/1073933012.db2.gz CHUDHYNJNYOOPJ-ZDUSSCGKSA-N 1 0 385.486 -1.092 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326700 1073933000 /nfs/dbraw/zinc/93/30/00/1073933000.db2.gz LLCGHQZCRSNMTP-UHFFFAOYSA-N 1 0 398.420 -4.199 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327173 1073932871 /nfs/dbraw/zinc/93/28/71/1073932871.db2.gz TZQGCXUICDSUKR-STQMWFEESA-N 1 0 395.460 -2.052 20 0 GAADRO Cc1nc2c([nH]1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001158346663 1073932961 /nfs/dbraw/zinc/93/29/61/1073932961.db2.gz BJZGTICZSUNWFR-UHFFFAOYSA-N 1 0 379.421 -3.047 20 0 GAADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN1CCNCC1=O)C2 ZINC001158380570 1073933529 /nfs/dbraw/zinc/93/35/29/1073933529.db2.gz FPLCFAWBRNQLEC-CABCVRRESA-N 1 0 392.378 -1.038 20 0 GAADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN1CCNCC1=O)C2 ZINC001158380571 1073933553 /nfs/dbraw/zinc/93/35/53/1073933553.db2.gz FPLCFAWBRNQLEC-GJZGRUSLSA-N 1 0 392.378 -1.038 20 0 GAADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN1CCNCC1=O)C2 ZINC001158380572 1073933455 /nfs/dbraw/zinc/93/34/55/1073933455.db2.gz FPLCFAWBRNQLEC-HUUCEWRRSA-N 1 0 392.378 -1.038 20 0 GAADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN1CCNCC1=O)C2 ZINC001158380573 1073933659 /nfs/dbraw/zinc/93/36/59/1073933659.db2.gz FPLCFAWBRNQLEC-LSDHHAIUSA-N 1 0 392.378 -1.038 20 0 GAADRO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158416176 1073933514 /nfs/dbraw/zinc/93/35/14/1073933514.db2.gz SMGQIJKDHBFPST-KVFJLYFUSA-N 1 0 384.433 -1.736 20 0 GAADRO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001158416810 1073933499 /nfs/dbraw/zinc/93/34/99/1073933499.db2.gz YCXXYZWUWVZOOV-IUODEOHRSA-N 1 0 377.463 -1.223 20 0 GAADRO COC(=O)c1cnc(-n2nncc2C[NH3+])c(S(=O)(=O)N2CCOCC2)c1 ZINC001158428096 1073933542 /nfs/dbraw/zinc/93/35/42/1073933542.db2.gz OQBQULGIJLUYBP-UHFFFAOYSA-N 1 0 382.402 -1.072 20 0 GAADRO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158430207 1073933671 /nfs/dbraw/zinc/93/36/71/1073933671.db2.gz FFLAOEBTVMXORJ-IUCAKERBSA-N 1 0 381.393 -2.496 20 0 GAADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)Cn1cnc2c1nc(N)[nH]c2=O ZINC001158497706 1073934080 /nfs/dbraw/zinc/93/40/80/1073934080.db2.gz DUYVSXSWGXMQIX-LPEHRKFASA-N 1 0 375.389 -1.134 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517048 1073934127 /nfs/dbraw/zinc/93/41/27/1073934127.db2.gz SUBASPQZXRMMQR-FIDHJVLJSA-N 1 0 391.472 -1.032 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517049 1073934025 /nfs/dbraw/zinc/93/40/25/1073934025.db2.gz SUBASPQZXRMMQR-MZBWOGCUSA-N 1 0 391.472 -1.032 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517050 1073934149 /nfs/dbraw/zinc/93/41/49/1073934149.db2.gz SUBASPQZXRMMQR-WRQOLXDDSA-N 1 0 391.472 -1.032 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)[C@@H](O)C(=O)N2C)cn1 ZINC001158517051 1073934182 /nfs/dbraw/zinc/93/41/82/1073934182.db2.gz SUBASPQZXRMMQR-ZHCJQAHYSA-N 1 0 391.472 -1.032 20 0 GAADRO CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158533392 1073934533 /nfs/dbraw/zinc/93/45/33/1073934533.db2.gz LEYBXSAXHGIXPB-PAKFGRKTSA-N 1 0 380.445 -1.005 20 0 GAADRO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158533394 1073934669 /nfs/dbraw/zinc/93/46/69/1073934669.db2.gz LEYBXSAXHGIXPB-YFQWEKLQSA-N 1 0 380.445 -1.005 20 0 GAADRO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001158533595 1073934625 /nfs/dbraw/zinc/93/46/25/1073934625.db2.gz OMYOGJBQAXIHEO-HWPZZCPQSA-N 1 0 383.405 -3.152 20 0 GAADRO CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001158533596 1073934655 /nfs/dbraw/zinc/93/46/55/1073934655.db2.gz OMYOGJBQAXIHEO-MGPLVRAMSA-N 1 0 383.405 -3.152 20 0 GAADRO COCCN1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001158604455 1073934686 /nfs/dbraw/zinc/93/46/86/1073934686.db2.gz NCYWEDPFZSGZNV-IRXDYDNUSA-N 1 0 394.472 -1.470 20 0 GAADRO [NH3+][C@@H]1CN[C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001158630130 1073934556 /nfs/dbraw/zinc/93/45/56/1073934556.db2.gz MHAUNENQZXISBR-KBPBESRZSA-N 1 0 391.476 -1.161 20 0 GAADRO [NH3+][C@H]1CN[C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001158630138 1073934775 /nfs/dbraw/zinc/93/47/75/1073934775.db2.gz MHAUNENQZXISBR-KGLIPLIRSA-N 1 0 391.476 -1.161 20 0 GAADRO N[C@]1(C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)CC[NH2+]C1 ZINC001158630155 1073934757 /nfs/dbraw/zinc/93/47/57/1073934757.db2.gz MPFJLPKAVBERQI-GOSISDBHSA-N 1 0 391.476 -1.160 20 0 GAADRO N[C@@]1(C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)CC[NH2+]C1 ZINC001158630159 1073935385 /nfs/dbraw/zinc/93/53/85/1073935385.db2.gz MPFJLPKAVBERQI-SFHVURJKSA-N 1 0 391.476 -1.160 20 0 GAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630205 1073935398 /nfs/dbraw/zinc/93/53/98/1073935398.db2.gz NKMUPXMOQLFFDJ-KBPBESRZSA-N 1 0 391.476 -1.304 20 0 GAADRO O=C(COCc1nnn2c1CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CCC2)N1CCCC1 ZINC001158630513 1073935447 /nfs/dbraw/zinc/93/54/47/1073935447.db2.gz RZCHUOHDMWGZPI-KBPBESRZSA-N 1 0 392.460 -1.128 20 0 GAADRO O=C(COCc1nnn2c1CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CCC2)N1CCCC1 ZINC001158630514 1073935442 /nfs/dbraw/zinc/93/54/42/1073935442.db2.gz RZCHUOHDMWGZPI-ZIAGYGMSSA-N 1 0 392.460 -1.128 20 0 GAADRO O=C(COCc1nnn2c1CN(C(=O)[C@@H]1C[NH2+]CCN1)CCC2)N1CCCC1 ZINC001158630654 1073935420 /nfs/dbraw/zinc/93/54/20/1073935420.db2.gz UJYATPQRVYROIV-AWEZNQCLSA-N 1 0 391.476 -1.289 20 0 GAADRO O=C(COCc1nnn2c1CN(C(=O)[C@H]1C[NH2+]CCN1)CCC2)N1CCCC1 ZINC001158630655 1073935392 /nfs/dbraw/zinc/93/53/92/1073935392.db2.gz UJYATPQRVYROIV-CQSZACIVSA-N 1 0 391.476 -1.289 20 0 GAADRO N[C@@H](CC[NH3+])C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630703 1073935407 /nfs/dbraw/zinc/93/54/07/1073935407.db2.gz WCKPEMFYYVMNGP-ZDUSSCGKSA-N 1 0 379.465 -1.175 20 0 GAADRO O=C(COCc1nnn2c1CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CCC2)N1CCCC1 ZINC001158630832 1073935363 /nfs/dbraw/zinc/93/53/63/1073935363.db2.gz WYFYDAOIGFLJFI-RDJZCZTQSA-N 1 0 392.460 -1.128 20 0 GAADRO O=C(COCc1nnn2c1CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CCC2)N1CCCC1 ZINC001158630833 1073935339 /nfs/dbraw/zinc/93/53/39/1073935339.db2.gz WYFYDAOIGFLJFI-WBVHZDCISA-N 1 0 392.460 -1.128 20 0 GAADRO [NH3+]C[C@H](O)CC(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630857 1073935356 /nfs/dbraw/zinc/93/53/56/1073935356.db2.gz XUJUDPGJMUGTHK-CYBMUJFWSA-N 1 0 380.449 -1.141 20 0 GAADRO [NH3+]C[C@@H](O)CC(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630858 1073935382 /nfs/dbraw/zinc/93/53/82/1073935382.db2.gz XUJUDPGJMUGTHK-ZDUSSCGKSA-N 1 0 380.449 -1.141 20 0 GAADRO [NH3+]CCNCC(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630910 1073935450 /nfs/dbraw/zinc/93/54/50/1073935450.db2.gz ZUWNSFQDOAQXSX-UHFFFAOYSA-N 1 0 379.465 -1.302 20 0 GAADRO O=C([C@@H]1CC[NH2+]1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681057 1073935326 /nfs/dbraw/zinc/93/53/26/1073935326.db2.gz IFUHOZPNSOQBKD-MELADBBJSA-N 1 0 393.469 -1.102 20 0 GAADRO N[C@@H](C[NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681121 1073935369 /nfs/dbraw/zinc/93/53/69/1073935369.db2.gz KUIUGTPKGUFAGX-RWMBFGLXSA-N 1 0 396.473 -2.178 20 0 GAADRO C[C@@H]([NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158682938 1073935426 /nfs/dbraw/zinc/93/54/26/1073935426.db2.gz VAVMNHRCLXTBRW-KGYLQXTDSA-N 1 0 381.458 -1.117 20 0 GAADRO Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@H]3O2)n1 ZINC001158693862 1073935434 /nfs/dbraw/zinc/93/54/34/1073935434.db2.gz PQYBUWHAADVMBO-DUIQVVMOSA-N 1 0 394.432 -1.236 20 0 GAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158694752 1073935843 /nfs/dbraw/zinc/93/58/43/1073935843.db2.gz WCZGOJRATMDXGE-HWMZRRJGSA-N 1 0 378.473 -1.055 20 0 GAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158694756 1073936094 /nfs/dbraw/zinc/93/60/94/1073936094.db2.gz WCZGOJRATMDXGE-MPTYRVRUSA-N 1 0 378.473 -1.055 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158698947 1073935993 /nfs/dbraw/zinc/93/59/93/1073935993.db2.gz UZAHRSWQJBXSEG-IPVBOJNNSA-N 1 0 382.461 -1.561 20 0 GAADRO Cn1cncc1C[C@H](N)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734853 1073935923 /nfs/dbraw/zinc/93/59/23/1073935923.db2.gz GOPMNFLBKZJPCG-LBPRGKRZSA-N 1 0 382.446 -1.088 20 0 GAADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H](N)CCCNC(N)=O ZINC001158735027 1073935946 /nfs/dbraw/zinc/93/59/46/1073935946.db2.gz KTYCPTVMHVYADI-SNVBAGLBSA-N 1 0 388.450 -1.616 20 0 GAADRO C[S@@](=O)CC[C@H](N)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735495 1073935964 /nfs/dbraw/zinc/93/59/64/1073935964.db2.gz UUROGUZRZISQDC-SDWAUSNYSA-N 1 0 378.476 -1.296 20 0 GAADRO C[S@](=O)CC[C@H](N)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735500 1073935933 /nfs/dbraw/zinc/93/59/33/1073935933.db2.gz UUROGUZRZISQDC-VCGICTTQSA-N 1 0 378.476 -1.296 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001158736036 1073935975 /nfs/dbraw/zinc/93/59/75/1073935975.db2.gz ZSHONFLEGFYTIP-YIIZKNBGSA-N 1 0 396.488 -1.267 20 0 GAADRO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158746861 1073936019 /nfs/dbraw/zinc/93/60/19/1073936019.db2.gz JEIVSKDYXDEJLG-AWEZNQCLSA-N 1 0 393.444 -1.506 20 0 GAADRO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158746862 1073935798 /nfs/dbraw/zinc/93/57/98/1073935798.db2.gz JEIVSKDYXDEJLG-CQSZACIVSA-N 1 0 393.444 -1.506 20 0 GAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747888 1073936692 /nfs/dbraw/zinc/93/66/92/1073936692.db2.gz KPOSKMUNTZUXAH-LVQVYYBASA-N 1 0 394.472 -1.408 20 0 GAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747889 1073936825 /nfs/dbraw/zinc/93/68/25/1073936825.db2.gz KPOSKMUNTZUXAH-WCVJEAGWSA-N 1 0 394.472 -1.408 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001158747932 1073936581 /nfs/dbraw/zinc/93/65/81/1073936581.db2.gz MGMJQJUEJNTJKL-JQWIXIFHSA-N 1 0 397.432 -2.012 20 0 GAADRO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001158748348 1073936798 /nfs/dbraw/zinc/93/67/98/1073936798.db2.gz WSDCZYMQKCVXGO-GFCCVEGCSA-N 1 0 396.448 -1.060 20 0 GAADRO [NH3+][C@@H]1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC12COC2 ZINC001158764218 1073936728 /nfs/dbraw/zinc/93/67/28/1073936728.db2.gz MEDJXOLPUULDAU-CYBMUJFWSA-N 1 0 377.449 -1.291 20 0 GAADRO [NH3+][C@H]1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC12COC2 ZINC001158764371 1073936856 /nfs/dbraw/zinc/93/68/56/1073936856.db2.gz MEDJXOLPUULDAU-ZDUSSCGKSA-N 1 0 377.449 -1.291 20 0 GAADRO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158789611 1073936765 /nfs/dbraw/zinc/93/67/65/1073936765.db2.gz FFOFKPXJEVIOGN-AXFHLTTASA-N 1 0 381.437 -1.922 20 0 GAADRO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158789612 1073936622 /nfs/dbraw/zinc/93/66/22/1073936622.db2.gz FFOFKPXJEVIOGN-DCAQKATOSA-N 1 0 381.437 -1.922 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N(C)C[C@H](O)CO ZINC001158800585 1073937182 /nfs/dbraw/zinc/93/71/82/1073937182.db2.gz WIAIBPSMVQVLQD-AJNGGQMLSA-N 1 0 386.493 -1.333 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N(C)C[C@@H](O)CO ZINC001158800586 1073937397 /nfs/dbraw/zinc/93/73/97/1073937397.db2.gz WIAIBPSMVQVLQD-XGUBFFRZSA-N 1 0 386.493 -1.333 20 0 GAADRO CN1CCO[C@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)C[C@H]21 ZINC001158804108 1073937277 /nfs/dbraw/zinc/93/72/77/1073937277.db2.gz LBVQKUHGKQOCAV-NXOAAHMSSA-N 1 0 392.456 -1.720 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810251 1073937267 /nfs/dbraw/zinc/93/72/67/1073937267.db2.gz DRKBFENKASTBQR-BTFPBAQTSA-N 1 0 382.461 -1.561 20 0 GAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158810256 1073937387 /nfs/dbraw/zinc/93/73/87/1073937387.db2.gz DTTGBZBPJNCTIW-KBPBESRZSA-N 1 0 382.461 -1.771 20 0 GAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158810301 1073937423 /nfs/dbraw/zinc/93/74/23/1073937423.db2.gz DTTGBZBPJNCTIW-KGLIPLIRSA-N 1 0 382.461 -1.771 20 0 GAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158810303 1073937295 /nfs/dbraw/zinc/93/72/95/1073937295.db2.gz DTTGBZBPJNCTIW-UONOGXRCSA-N 1 0 382.461 -1.771 20 0 GAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001158810305 1073937239 /nfs/dbraw/zinc/93/72/39/1073937239.db2.gz DTTGBZBPJNCTIW-ZIAGYGMSSA-N 1 0 382.461 -1.771 20 0 GAADRO O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1)N1CCCC1 ZINC001158810589 1073937198 /nfs/dbraw/zinc/93/71/98/1073937198.db2.gz IHBSCTNULWNWBS-CAOSSQGBSA-N 1 0 378.473 -1.055 20 0 GAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810590 1073937411 /nfs/dbraw/zinc/93/74/11/1073937411.db2.gz IHBSCTNULWNWBS-ZJIFWQFVSA-N 1 0 378.473 -1.055 20 0 GAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001158810626 1073937305 /nfs/dbraw/zinc/93/73/05/1073937305.db2.gz JMLJEBJUQKUPEO-CHWSQXEVSA-N 1 0 385.465 -1.325 20 0 GAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001158810627 1073937374 /nfs/dbraw/zinc/93/73/74/1073937374.db2.gz JMLJEBJUQKUPEO-QWHCGFSZSA-N 1 0 385.465 -1.325 20 0 GAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001158810990 1073937360 /nfs/dbraw/zinc/93/73/60/1073937360.db2.gz MUKWSDOIEMNGDB-KBPBESRZSA-N 1 0 382.461 -1.151 20 0 GAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001158810991 1073937324 /nfs/dbraw/zinc/93/73/24/1073937324.db2.gz MUKWSDOIEMNGDB-KGLIPLIRSA-N 1 0 382.461 -1.151 20 0 GAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001158811598 1073937405 /nfs/dbraw/zinc/93/74/05/1073937405.db2.gz XSCNDOQKXFWXEE-IZEVZFMRSA-N 1 0 375.491 -1.005 20 0 GAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001158811599 1073937448 /nfs/dbraw/zinc/93/74/48/1073937448.db2.gz XSCNDOQKXFWXEE-OCDDVZBJSA-N 1 0 375.491 -1.005 20 0 GAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001158811600 1073937438 /nfs/dbraw/zinc/93/74/38/1073937438.db2.gz XSCNDOQKXFWXEE-OLXKUKDPSA-N 1 0 375.491 -1.005 20 0 GAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001158811601 1073937231 /nfs/dbraw/zinc/93/72/31/1073937231.db2.gz XSCNDOQKXFWXEE-UXGGDIESSA-N 1 0 375.491 -1.005 20 0 GAADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001158815329 1073937928 /nfs/dbraw/zinc/93/79/28/1073937928.db2.gz XDUHKANLDZWGCV-AVGNSLFASA-N 1 0 386.449 -2.277 20 0 GAADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001158815330 1073937983 /nfs/dbraw/zinc/93/79/83/1073937983.db2.gz XDUHKANLDZWGCV-XQQFMLRXSA-N 1 0 386.449 -2.277 20 0 GAADRO [NH3+][C@H]1CCCCN(CC(=O)N2CCn3c(CN4CCOCC4)nnc3C2)C1=O ZINC001158821156 1073938706 /nfs/dbraw/zinc/93/87/06/1073938706.db2.gz AUMDJNFUPSFTDT-AWEZNQCLSA-N 1 0 391.476 -1.208 20 0 GAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821174 1073938741 /nfs/dbraw/zinc/93/87/41/1073938741.db2.gz BLYXPSLTPFCFQA-CYBMUJFWSA-N 1 0 377.449 -2.217 20 0 GAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821175 1073938547 /nfs/dbraw/zinc/93/85/47/1073938547.db2.gz BLYXPSLTPFCFQA-ZDUSSCGKSA-N 1 0 377.449 -2.217 20 0 GAADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821338 1073938722 /nfs/dbraw/zinc/93/87/22/1073938722.db2.gz IDVBCMLAZVPOLM-ZDUSSCGKSA-N 1 0 377.449 -1.598 20 0 GAADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822057 1073938366 /nfs/dbraw/zinc/93/83/66/1073938366.db2.gz SPOVZLIEFZWGSW-GFCCVEGCSA-N 1 0 380.453 -1.772 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158834370 1073938425 /nfs/dbraw/zinc/93/84/25/1073938425.db2.gz SMEPQKUUQOMESG-RYUDHWBXSA-N 1 0 381.437 -2.723 20 0 GAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158835199 1073938630 /nfs/dbraw/zinc/93/86/30/1073938630.db2.gz ZXMWQCNDQJFAMW-GUYCJALGSA-N 1 0 393.492 -1.058 20 0 GAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158870929 1073938571 /nfs/dbraw/zinc/93/85/71/1073938571.db2.gz FRTZXCNYOXZKLY-AWEZNQCLSA-N 1 0 399.455 -1.033 20 0 GAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158870930 1073938590 /nfs/dbraw/zinc/93/85/90/1073938590.db2.gz FRTZXCNYOXZKLY-CQSZACIVSA-N 1 0 399.455 -1.033 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158940982 1073939243 /nfs/dbraw/zinc/93/92/43/1073939243.db2.gz CWTGNYIMYMCBLN-CYUUQNCZSA-N 1 0 375.429 -1.392 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158940983 1073939258 /nfs/dbraw/zinc/93/92/58/1073939258.db2.gz CWTGNYIMYMCBLN-SPWCGHHHSA-N 1 0 375.429 -1.392 20 0 GAADRO CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001158958453 1073939221 /nfs/dbraw/zinc/93/92/21/1073939221.db2.gz HMQFYQPFFZQUHJ-JQWIXIFHSA-N 1 0 381.433 -1.136 20 0 GAADRO CC(C)Oc1ncnc2c1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001158967618 1073939353 /nfs/dbraw/zinc/93/93/53/1073939353.db2.gz CCTVATTYQGPTDV-FZMZJTMJSA-N 1 0 392.460 -1.102 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967813 1073939302 /nfs/dbraw/zinc/93/93/02/1073939302.db2.gz FDAGZTCTAXLQMY-RVMXOQNASA-N 1 0 391.432 -2.400 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967849 1073939251 /nfs/dbraw/zinc/93/92/51/1073939251.db2.gz GUBGHVIPIZMKOR-OLZOCXBDSA-N 1 0 384.462 -1.887 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001158990566 1073942255 /nfs/dbraw/zinc/94/22/55/1073942255.db2.gz DRFPWEXAIRMJRG-AZAGILFBSA-N 1 0 376.461 -1.174 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001158990567 1073942185 /nfs/dbraw/zinc/94/21/85/1073942185.db2.gz DRFPWEXAIRMJRG-DRRHNWJESA-N 1 0 376.461 -1.174 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001158990712 1073942104 /nfs/dbraw/zinc/94/21/04/1073942104.db2.gz FIFIARFRPZZFKM-DARAHFNDSA-N 1 0 376.461 -1.446 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001158990713 1073942231 /nfs/dbraw/zinc/94/22/31/1073942231.db2.gz FIFIARFRPZZFKM-LQKXBSAESA-N 1 0 376.461 -1.446 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001158991446 1073942296 /nfs/dbraw/zinc/94/22/96/1073942296.db2.gz MJWLEBOWGAITAN-BBRMVZONSA-N 1 0 389.460 -1.092 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001158991450 1073942916 /nfs/dbraw/zinc/94/29/16/1073942916.db2.gz MJWLEBOWGAITAN-CJNGLKHVSA-N 1 0 389.460 -1.092 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001158991517 1073942824 /nfs/dbraw/zinc/94/28/24/1073942824.db2.gz NPNVXXDIUZWFAR-HIFRSBDPSA-N 1 0 392.460 -1.446 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001158991520 1073943117 /nfs/dbraw/zinc/94/31/17/1073943117.db2.gz NPNVXXDIUZWFAR-ZFWWWQNUSA-N 1 0 392.460 -1.446 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001158991541 1073943154 /nfs/dbraw/zinc/94/31/54/1073943154.db2.gz NWMUJZSGZBKEOB-GLJUWKHASA-N 1 0 376.461 -1.444 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001158991542 1073943136 /nfs/dbraw/zinc/94/31/36/1073943136.db2.gz NWMUJZSGZBKEOB-HBUWYVDXSA-N 1 0 376.461 -1.444 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001158991543 1073942849 /nfs/dbraw/zinc/94/28/49/1073942849.db2.gz NWMUJZSGZBKEOB-LBTNJELSSA-N 1 0 376.461 -1.444 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001158991545 1073942749 /nfs/dbraw/zinc/94/27/49/1073942749.db2.gz NWMUJZSGZBKEOB-QWQRMKEZSA-N 1 0 376.461 -1.444 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001158992337 1073942874 /nfs/dbraw/zinc/94/28/74/1073942874.db2.gz VTFHLNRYFPWLBJ-DOMZBBRYSA-N 1 0 375.433 -1.103 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001158992339 1073942669 /nfs/dbraw/zinc/94/26/69/1073942669.db2.gz VTFHLNRYFPWLBJ-IUODEOHRSA-N 1 0 375.433 -1.103 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001158992340 1073943032 /nfs/dbraw/zinc/94/30/32/1073943032.db2.gz VTFHLNRYFPWLBJ-SWLSCSKDSA-N 1 0 375.433 -1.103 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001158992341 1073942607 /nfs/dbraw/zinc/94/26/07/1073942607.db2.gz VTFHLNRYFPWLBJ-WFASDCNBSA-N 1 0 375.433 -1.103 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001158992378 1073943071 /nfs/dbraw/zinc/94/30/71/1073943071.db2.gz VZSBRQSDGPJSBX-AWEZNQCLSA-N 1 0 378.477 -1.054 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001158992380 1073943564 /nfs/dbraw/zinc/94/35/64/1073943564.db2.gz VZSBRQSDGPJSBX-CQSZACIVSA-N 1 0 378.477 -1.054 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001158992649 1073943592 /nfs/dbraw/zinc/94/35/92/1073943592.db2.gz YPDICGJTBDCOBD-BSJMDQAVSA-N 1 0 385.490 -1.300 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001158992658 1073943586 /nfs/dbraw/zinc/94/35/86/1073943586.db2.gz YPDICGJTBDCOBD-NVIBNEEGSA-N 1 0 385.490 -1.300 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001158992663 1073943599 /nfs/dbraw/zinc/94/35/99/1073943599.db2.gz YPDICGJTBDCOBD-QYRWSJFESA-N 1 0 385.490 -1.300 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001158992668 1073943553 /nfs/dbraw/zinc/94/35/53/1073943553.db2.gz YPDICGJTBDCOBD-VEWLYKBQSA-N 1 0 385.490 -1.300 20 0 GAADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1 ZINC001158992822 1073943616 /nfs/dbraw/zinc/94/36/16/1073943616.db2.gz ZHCQWDCSROHREC-OBJOEFQTSA-N 1 0 396.448 -2.572 20 0 GAADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1 ZINC001158992823 1073943678 /nfs/dbraw/zinc/94/36/78/1073943678.db2.gz ZHCQWDCSROHREC-SCRDCRAPSA-N 1 0 396.448 -2.572 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001159047382 1073943638 /nfs/dbraw/zinc/94/36/38/1073943638.db2.gz LBFXCSNOZFQYAG-MQLXINIDSA-N 1 0 397.476 -1.964 20 0 GAADRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@H]21 ZINC001159048958 1073943576 /nfs/dbraw/zinc/94/35/76/1073943576.db2.gz YXGRSQUEMSYZCS-MGPQQGTHSA-N 1 0 390.506 -1.452 20 0 GAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159073717 1073943558 /nfs/dbraw/zinc/94/35/58/1073943558.db2.gz BAYDEIBFEIGXDF-AWEZNQCLSA-N 1 0 392.460 -1.417 20 0 GAADRO 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CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)C1 ZINC001159125346 1073946572 /nfs/dbraw/zinc/94/65/72/1073946572.db2.gz VDRVQMFDFSEYSU-GGXPGOJBSA-N 1 0 379.505 -1.377 20 0 GAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)C1 ZINC001159125347 1073946387 /nfs/dbraw/zinc/94/63/87/1073946387.db2.gz VDRVQMFDFSEYSU-YIOZNXECSA-N 1 0 379.505 -1.377 20 0 GAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C2)C1 ZINC001159126260 1073946606 /nfs/dbraw/zinc/94/66/06/1073946606.db2.gz NEPNXFNONJBIOJ-HNAYVOBHSA-N 1 0 395.504 -1.377 20 0 GAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C2)C1 ZINC001159126261 1073946625 /nfs/dbraw/zinc/94/66/25/1073946625.db2.gz NEPNXFNONJBIOJ-KXBFYZLASA-N 1 0 395.504 -1.377 20 0 GAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2)C1 ZINC001159126977 1073947330 /nfs/dbraw/zinc/94/73/30/1073947330.db2.gz RFYFQNZPEFWSMO-CHLCXMBXSA-N 1 0 388.534 -1.231 20 0 GAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2)C1 ZINC001159126988 1073947269 /nfs/dbraw/zinc/94/72/69/1073947269.db2.gz RFYFQNZPEFWSMO-QAPORCKPSA-N 1 0 388.534 -1.231 20 0 GAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2)C1 ZINC001159126993 1073947445 /nfs/dbraw/zinc/94/74/45/1073947445.db2.gz RFYFQNZPEFWSMO-SJUHQFKNSA-N 1 0 388.534 -1.231 20 0 GAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2)C1 ZINC001159126997 1073947293 /nfs/dbraw/zinc/94/72/93/1073947293.db2.gz RFYFQNZPEFWSMO-WZXMGIQQSA-N 1 0 388.534 -1.231 20 0 GAADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159127662 1073947214 /nfs/dbraw/zinc/94/72/14/1073947214.db2.gz UTLWXNXIFFUZQX-DEYYWGMASA-N 1 0 399.492 -2.502 20 0 GAADRO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159127663 1073947412 /nfs/dbraw/zinc/94/74/12/1073947412.db2.gz UTLWXNXIFFUZQX-SUNYJGFJSA-N 1 0 399.492 -2.502 20 0 GAADRO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001159128424 1073947341 /nfs/dbraw/zinc/94/73/41/1073947341.db2.gz ZPOUYLCLAGVUCS-CORIIIEPSA-N 1 0 394.476 -1.150 20 0 GAADRO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001159128425 1073947195 /nfs/dbraw/zinc/94/71/95/1073947195.db2.gz ZPOUYLCLAGVUCS-WHOFXGATSA-N 1 0 394.476 -1.150 20 0 GAADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)C[NH3+])CC3)C1=O ZINC001159180505 1073947386 /nfs/dbraw/zinc/94/73/86/1073947386.db2.gz DQBDIJJRELQWQG-BLLLJJGKSA-N 1 0 387.506 -1.995 20 0 GAADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)C[NH3+])CC3)C1=O ZINC001159180509 1073947241 /nfs/dbraw/zinc/94/72/41/1073947241.db2.gz DQBDIJJRELQWQG-LRDDRELGSA-N 1 0 387.506 -1.995 20 0 GAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)CC2 ZINC001159189528 1073947459 /nfs/dbraw/zinc/94/74/59/1073947459.db2.gz DDHOZWZZEIUMIV-JTQLQIEISA-N 1 0 377.409 -2.066 20 0 GAADRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@@H]21 ZINC001159191941 1073947961 /nfs/dbraw/zinc/94/79/61/1073947961.db2.gz KIZUTHROFAFXGI-BYNSBNAKSA-N 1 0 381.477 -1.549 20 0 GAADRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@@H]21 ZINC001159191942 1073947947 /nfs/dbraw/zinc/94/79/47/1073947947.db2.gz KIZUTHROFAFXGI-ZQDZILKHSA-N 1 0 381.477 -1.549 20 0 GAADRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@@H]21 ZINC001159191943 1073948050 /nfs/dbraw/zinc/94/80/50/1073948050.db2.gz KJZGAOSRMGSYFB-IGQOVBAYSA-N 1 0 384.481 -1.103 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001159204652 1073947894 /nfs/dbraw/zinc/94/78/94/1073947894.db2.gz ZXQYFQCJFDVQJY-HTVCTNPSSA-N 1 0 385.465 -2.055 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159209659 1073948811 /nfs/dbraw/zinc/94/88/11/1073948811.db2.gz JXZUUIFVBZECJM-AFHWFKKNSA-N 1 0 378.429 -1.352 20 0 GAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001159224068 1073948714 /nfs/dbraw/zinc/94/87/14/1073948714.db2.gz GYGUEUNVFRSDHV-DEYYWGMASA-N 1 0 386.460 -1.013 20 0 GAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001159224069 1073948828 /nfs/dbraw/zinc/94/88/28/1073948828.db2.gz GYGUEUNVFRSDHV-GLJUWKHASA-N 1 0 386.460 -1.013 20 0 GAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001159224070 1073948763 /nfs/dbraw/zinc/94/87/63/1073948763.db2.gz GYGUEUNVFRSDHV-QWQRMKEZSA-N 1 0 386.460 -1.013 20 0 GAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001159224071 1073948834 /nfs/dbraw/zinc/94/88/34/1073948834.db2.gz GYGUEUNVFRSDHV-SUNYJGFJSA-N 1 0 386.460 -1.013 20 0 GAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]([NH3+])COC(C)=O ZINC001159224259 1073948576 /nfs/dbraw/zinc/94/85/76/1073948576.db2.gz HOWHNSWWCHQVKL-OLZOCXBDSA-N 1 0 377.405 -1.074 20 0 GAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]([NH3+])COC(C)=O ZINC001159224262 1073948822 /nfs/dbraw/zinc/94/88/22/1073948822.db2.gz HOWHNSWWCHQVKL-STQMWFEESA-N 1 0 377.405 -1.074 20 0 GAADRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001159225242 1073948779 /nfs/dbraw/zinc/94/87/79/1073948779.db2.gz QKAYEFSZHYSJQS-CYUUQNCZSA-N 1 0 386.460 -1.014 20 0 GAADRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001159225243 1073948598 /nfs/dbraw/zinc/94/85/98/1073948598.db2.gz QKAYEFSZHYSJQS-PMOUVXMZSA-N 1 0 386.460 -1.014 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159227474 1073948678 /nfs/dbraw/zinc/94/86/78/1073948678.db2.gz HFGOQVFVVYNHHU-PYJNHQTQSA-N 1 0 379.461 -1.304 20 0 GAADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)CN(CC[NH3+])S(C)(=O)=O)cn1 ZINC001159237367 1073948631 /nfs/dbraw/zinc/94/86/31/1073948631.db2.gz ZNNNGRHFGAGEMI-KGLIPLIRSA-N 1 0 398.489 -1.544 20 0 GAADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)n1 ZINC001159259601 1073949310 /nfs/dbraw/zinc/94/93/10/1073949310.db2.gz ZPUZUMRSACHXFB-QCEMKRCNSA-N 1 0 389.456 -1.084 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273706 1073949231 /nfs/dbraw/zinc/94/92/31/1073949231.db2.gz UTNMYRDSBNRSRG-OLZOCXBDSA-N 1 0 384.462 -1.887 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273754 1073949276 /nfs/dbraw/zinc/94/92/76/1073949276.db2.gz VNZGJWYGHVFYHD-RVMXOQNASA-N 1 0 391.432 -2.400 20 0 GAADRO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@H]32)nn1 ZINC001159297247 1073949157 /nfs/dbraw/zinc/94/91/57/1073949157.db2.gz IELCHOAVYHGMGK-MCIONIFRSA-N 1 0 377.449 -1.023 20 0 GAADRO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C[C@H]32)nn1 ZINC001159297649 1073949259 /nfs/dbraw/zinc/94/92/59/1073949259.db2.gz NGKTVUIZQIORLW-FQUUOJAGSA-N 1 0 378.433 -1.975 20 0 GAADRO Cc1ccc(N2CCO[C@H]3CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]32)nn1 ZINC001159299425 1073949462 /nfs/dbraw/zinc/94/94/62/1073949462.db2.gz ZCZFAOATYNDOSX-KGLIPLIRSA-N 1 0 398.489 -1.579 20 0 GAADRO O=C([C@@H]1COCN1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395185 1073950039 /nfs/dbraw/zinc/95/00/39/1073950039.db2.gz UXFGLOSMLBUUAT-MELADBBJSA-N 1 0 393.469 -1.236 20 0 GAADRO CCN1C[C@H]2CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC[C@H]2S1(=O)=O ZINC001159403057 1073949920 /nfs/dbraw/zinc/94/99/20/1073949920.db2.gz FBOPEZWOMSCXLQ-QNWHQSFQSA-N 1 0 376.479 -1.917 20 0 GAADRO CCOC[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])Cc2cnn(C)c21 ZINC001159404308 1073950125 /nfs/dbraw/zinc/95/01/25/1073950125.db2.gz YRLQZZRMPRVGNI-DRZSPHRISA-N 1 0 380.449 -1.410 20 0 GAADRO CCOC[C@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])Cc2cnn(C)c21 ZINC001159404309 1073950008 /nfs/dbraw/zinc/95/00/08/1073950008.db2.gz YRLQZZRMPRVGNI-UHTWSYAYSA-N 1 0 380.449 -1.410 20 0 GAADRO CCN1C[C@H]2CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC[C@H]2S1(=O)=O ZINC001159404647 1073949797 /nfs/dbraw/zinc/94/97/97/1073949797.db2.gz VMGJAJKGLDDJBD-CHWSQXEVSA-N 1 0 396.535 -1.521 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159411587 1073949832 /nfs/dbraw/zinc/94/98/32/1073949832.db2.gz FDJQJOCSZIIQTC-JPVZDGGYSA-N 1 0 396.419 -1.101 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159437050 1073950709 /nfs/dbraw/zinc/95/07/09/1073950709.db2.gz RDWOCWWPJWBGIU-DOCVPZNWSA-N 1 0 382.461 -1.121 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2 ZINC001159451815 1073950659 /nfs/dbraw/zinc/95/06/59/1073950659.db2.gz XPMZCYMHSYTVFE-MOROJQBDSA-N 1 0 399.492 -1.378 20 0 GAADRO [NH3+]C[C@H](O)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457168 1073950542 /nfs/dbraw/zinc/95/05/42/1073950542.db2.gz FYUDLRNINGHCBO-AAVRWANBSA-N 1 0 389.474 -2.183 20 0 GAADRO [NH3+]C[C@@H](O)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457169 1073950596 /nfs/dbraw/zinc/95/05/96/1073950596.db2.gz FYUDLRNINGHCBO-IGQOVBAYSA-N 1 0 389.474 -2.183 20 0 GAADRO [NH3+]C[C@@H](O)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457170 1073950535 /nfs/dbraw/zinc/95/05/35/1073950535.db2.gz FYUDLRNINGHCBO-REWJHTLYSA-N 1 0 389.474 -2.183 20 0 GAADRO [NH3+]C[C@H](O)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457171 1073950685 /nfs/dbraw/zinc/95/06/85/1073950685.db2.gz FYUDLRNINGHCBO-XJFOESAGSA-N 1 0 389.474 -2.183 20 0 GAADRO [NH3+][C@H]1CC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457688 1073950641 /nfs/dbraw/zinc/95/06/41/1073950641.db2.gz IGDMXGIQRXICFN-QKGCVVFFSA-N 1 0 385.486 -1.156 20 0 GAADRO [NH3+][C@H]1CC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457689 1073950673 /nfs/dbraw/zinc/95/06/73/1073950673.db2.gz IGDMXGIQRXICFN-SBJFKYEJSA-N 1 0 385.486 -1.156 20 0 GAADRO N[C@@H](CC[NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458908 1073950648 /nfs/dbraw/zinc/95/06/48/1073950648.db2.gz ROKHWLDPIZFEMV-RFQIPJPRSA-N 1 0 388.490 -2.217 20 0 GAADRO N[C@@H](CC[NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458909 1073950740 /nfs/dbraw/zinc/95/07/40/1073950740.db2.gz ROKHWLDPIZFEMV-YIYPIFLZSA-N 1 0 388.490 -2.217 20 0 GAADRO [NH3+]CCNCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459086 1073950622 /nfs/dbraw/zinc/95/06/22/1073950622.db2.gz VCJMMVYYNUJNKT-BFHYXJOUSA-N 1 0 388.490 -2.345 20 0 GAADRO [NH3+]CCNCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459087 1073950549 /nfs/dbraw/zinc/95/05/49/1073950549.db2.gz VCJMMVYYNUJNKT-MGPQQGTHSA-N 1 0 388.490 -2.345 20 0 GAADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459242 1073951543 /nfs/dbraw/zinc/95/15/43/1073951543.db2.gz WQXYGTKFLZPOSS-AQGHMYMLSA-N 1 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[NH3+]CCNCC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159599711 1073954499 /nfs/dbraw/zinc/95/44/99/1073954499.db2.gz MZSUWUBUAZBVND-VYDXJSESSA-N 1 0 395.485 -1.486 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159600722 1073954423 /nfs/dbraw/zinc/95/44/23/1073954423.db2.gz XDBNTNGYKCPRBZ-MGPQQGTHSA-N 1 0 388.490 -1.651 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159601135 1073954535 /nfs/dbraw/zinc/95/45/35/1073954535.db2.gz ZYXUYJKHWIKVHH-JWZAGAIZSA-N 1 0 395.460 -2.164 20 0 GAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)CC2 ZINC001159608244 1073954464 /nfs/dbraw/zinc/95/44/64/1073954464.db2.gz HSGIXYUZRHJPTL-ZDUSSCGKSA-N 1 0 393.496 -2.234 20 0 GAADRO COC(=O)[C@@H](N)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159611187 1073955257 /nfs/dbraw/zinc/95/52/57/1073955257.db2.gz WAKHEBRNGUCNMU-AWEZNQCLSA-N 1 0 383.493 -1.426 20 0 GAADRO COC(=O)[C@@H](N)CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159611252 1073955110 /nfs/dbraw/zinc/95/51/10/1073955110.db2.gz XPTAOSWFQMNAQJ-HNNXBMFYSA-N 1 0 397.520 -1.036 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159625605 1073955085 /nfs/dbraw/zinc/95/50/85/1073955085.db2.gz YGPBKCKTNYKIFQ-ODXJTPSBSA-N 1 0 384.433 -1.877 20 0 GAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159637102 1073955703 /nfs/dbraw/zinc/95/57/03/1073955703.db2.gz WZTZPFMAWNLOSF-HNNXBMFYSA-N 1 0 399.455 -1.449 20 0 GAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159637105 1073955889 /nfs/dbraw/zinc/95/58/89/1073955889.db2.gz WZTZPFMAWNLOSF-OAHLLOKOSA-N 1 0 399.455 -1.449 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001159641646 1073955758 /nfs/dbraw/zinc/95/57/58/1073955758.db2.gz AUDJRYYHCJJFLY-BXWFABGCSA-N 1 0 387.440 -1.029 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001159641647 1073955835 /nfs/dbraw/zinc/95/58/35/1073955835.db2.gz AUDJRYYHCJJFLY-GPMSIDNRSA-N 1 0 387.440 -1.029 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001159641648 1073955845 /nfs/dbraw/zinc/95/58/45/1073955845.db2.gz AUDJRYYHCJJFLY-MDZRGWNJSA-N 1 0 387.440 -1.029 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001159641649 1073955857 /nfs/dbraw/zinc/95/58/57/1073955857.db2.gz AUDJRYYHCJJFLY-TXPKVOOTSA-N 1 0 387.440 -1.029 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159643693 1073955864 /nfs/dbraw/zinc/95/58/64/1073955864.db2.gz OOOIWFWGIIWSER-UHFFFAOYSA-N 1 0 395.489 -1.267 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001159644332 1073955783 /nfs/dbraw/zinc/95/57/83/1073955783.db2.gz UIZVVLAZGQMRAD-CRAIPNDOSA-N 1 0 375.429 -1.043 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001159644339 1073955741 /nfs/dbraw/zinc/95/57/41/1073955741.db2.gz UIZVVLAZGQMRAD-MAUKXSAKSA-N 1 0 375.429 -1.043 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001159644342 1073955831 /nfs/dbraw/zinc/95/58/31/1073955831.db2.gz UIZVVLAZGQMRAD-QAPCUYQASA-N 1 0 375.429 -1.043 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001159644344 1073955851 /nfs/dbraw/zinc/95/58/51/1073955851.db2.gz UIZVVLAZGQMRAD-YJBOKZPZSA-N 1 0 375.429 -1.043 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159645024 1073955794 /nfs/dbraw/zinc/95/57/94/1073955794.db2.gz ZQXXKOUZZKPABH-JSGCOSHPSA-N 1 0 375.433 -1.663 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001159652444 1073955915 /nfs/dbraw/zinc/95/59/15/1073955915.db2.gz CWLBLJKSZXJLMN-APWZRJJASA-N 1 0 386.456 -1.191 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001159652445 1073955671 /nfs/dbraw/zinc/95/56/71/1073955671.db2.gz CWLBLJKSZXJLMN-LPHOPBHVSA-N 1 0 386.456 -1.191 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001159652446 1073956410 /nfs/dbraw/zinc/95/64/10/1073956410.db2.gz CWLBLJKSZXJLMN-QFBILLFUSA-N 1 0 386.456 -1.191 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001159652447 1073956322 /nfs/dbraw/zinc/95/63/22/1073956322.db2.gz CWLBLJKSZXJLMN-VQIMIIECSA-N 1 0 386.456 -1.191 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001159652488 1073956440 /nfs/dbraw/zinc/95/64/40/1073956440.db2.gz DQUCBTKBYLIPIJ-BXWFABGCSA-N 1 0 386.456 -1.206 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001159652489 1073956262 /nfs/dbraw/zinc/95/62/62/1073956262.db2.gz DQUCBTKBYLIPIJ-TXPKVOOTSA-N 1 0 386.456 -1.206 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001159652680 1073956335 /nfs/dbraw/zinc/95/63/35/1073956335.db2.gz IDHUGQOVZMNMOL-FRQCXROJSA-N 1 0 387.440 -1.172 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001159652681 1073956403 /nfs/dbraw/zinc/95/64/03/1073956403.db2.gz IDHUGQOVZMNMOL-GPMSIDNRSA-N 1 0 387.440 -1.172 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159652682 1073956502 /nfs/dbraw/zinc/95/65/02/1073956502.db2.gz IDHUGQOVZMNMOL-JTDSTZFVSA-N 1 0 387.440 -1.172 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159652683 1073956506 /nfs/dbraw/zinc/95/65/06/1073956506.db2.gz IDHUGQOVZMNMOL-TXPKVOOTSA-N 1 0 387.440 -1.172 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001159652910 1073956508 /nfs/dbraw/zinc/95/65/08/1073956508.db2.gz MRFIMWVVNYZZBQ-ALKREAHSSA-N 1 0 386.456 -1.063 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)C2 ZINC001159652911 1073956291 /nfs/dbraw/zinc/95/62/91/1073956291.db2.gz MRFIMWVVNYZZBQ-QOKNQOGYSA-N 1 0 386.456 -1.063 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001159652912 1073956347 /nfs/dbraw/zinc/95/63/47/1073956347.db2.gz MRFIMWVVNYZZBQ-SIXWZSSISA-N 1 0 386.456 -1.063 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)C2 ZINC001159652913 1073956455 /nfs/dbraw/zinc/95/64/55/1073956455.db2.gz MRFIMWVVNYZZBQ-URLQWDBASA-N 1 0 386.456 -1.063 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001159653126 1073956393 /nfs/dbraw/zinc/95/63/93/1073956393.db2.gz OVQMKINSNGRFNC-MOPGFXCFSA-N 1 0 386.456 -1.061 20 0 GAADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001159653127 1073956452 /nfs/dbraw/zinc/95/64/52/1073956452.db2.gz OVQMKINSNGRFNC-OALUTQOASA-N 1 0 386.456 -1.061 20 0 GAADRO 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394.403 -1.407 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001159757494 1073957540 /nfs/dbraw/zinc/95/75/40/1073957540.db2.gz JGDNRSQQKUTSNE-BNLOLNQZSA-N 1 0 378.433 -1.800 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001159757495 1073957463 /nfs/dbraw/zinc/95/74/63/1073957463.db2.gz JGDNRSQQKUTSNE-PLQHRBFRSA-N 1 0 378.433 -1.800 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159764965 1073957551 /nfs/dbraw/zinc/95/75/51/1073957551.db2.gz KKZISRJXCABWFK-AMMHQNNLSA-N 1 0 396.488 -1.552 20 0 GAADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@H]21)NCC1CC1 ZINC001159765123 1073957585 /nfs/dbraw/zinc/95/75/85/1073957585.db2.gz LBADGWZYDOXMIM-NCOADZHNSA-N 1 0 392.500 -1.046 20 0 GAADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@H]21)NCC1CC1 ZINC001159765128 1073958091 /nfs/dbraw/zinc/95/80/91/1073958091.db2.gz LBADGWZYDOXMIM-WCXIOVBPSA-N 1 0 392.500 -1.046 20 0 GAADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]21)N1CCOCC1 ZINC001159767740 1073958072 /nfs/dbraw/zinc/95/80/72/1073958072.db2.gz KQQMINUEHXBQHI-SSDAWUQTSA-N 1 0 392.500 -1.094 20 0 GAADRO O=C(CN1CC[NH2+]CC1)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768425 1073958149 /nfs/dbraw/zinc/95/81/49/1073958149.db2.gz SLUPURUNVKAZOQ-ZACQAIPSSA-N 1 0 380.489 -1.139 20 0 GAADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]21)N1CCOCC1 ZINC001159768436 1073958110 /nfs/dbraw/zinc/95/81/10/1073958110.db2.gz SQXNPBMHXBOWRZ-BAPGRXHISA-N 1 0 392.500 -1.092 20 0 GAADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)C[C@H]21)N1CCOCC1 ZINC001159768437 1073958161 /nfs/dbraw/zinc/95/81/61/1073958161.db2.gz SQXNPBMHXBOWRZ-GFAJBQDWSA-N 1 0 392.500 -1.092 20 0 GAADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]21)N1CCOCC1 ZINC001159768438 1073957980 /nfs/dbraw/zinc/95/79/80/1073957980.db2.gz SQXNPBMHXBOWRZ-PANQXIRQSA-N 1 0 392.500 -1.092 20 0 GAADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)C[C@H]21)N1CCOCC1 ZINC001159768439 1073958213 /nfs/dbraw/zinc/95/82/13/1073958213.db2.gz SQXNPBMHXBOWRZ-XFEYQPKCSA-N 1 0 392.500 -1.092 20 0 GAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768624 1073958022 /nfs/dbraw/zinc/95/80/22/1073958022.db2.gz YFMHSHZSEDLSSR-WCVJEAGWSA-N 1 0 383.445 -1.153 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769041 1073957966 /nfs/dbraw/zinc/95/79/66/1073957966.db2.gz HGMQJNFULTUYKA-MCIONIFRSA-N 1 0 388.490 -1.509 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769065 1073958008 /nfs/dbraw/zinc/95/80/08/1073958008.db2.gz IANWZOZRIQFVFH-RORMEEMCSA-N 1 0 395.460 -2.022 20 0 GAADRO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@@H]21 ZINC001159790635 1073957997 /nfs/dbraw/zinc/95/79/97/1073957997.db2.gz JJEMGMOVRBHWLX-CRWXNKLISA-N 1 0 381.477 -1.201 20 0 GAADRO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@H]21 ZINC001159790636 1073958227 /nfs/dbraw/zinc/95/82/27/1073958227.db2.gz JJEMGMOVRBHWLX-RFQIPJPRSA-N 1 0 381.477 -1.201 20 0 GAADRO CC(C)C(=O)N1CC[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@H]21 ZINC001159790637 1073958199 /nfs/dbraw/zinc/95/81/99/1073958199.db2.gz JJEMGMOVRBHWLX-XDQVBPFNSA-N 1 0 381.477 -1.201 20 0 GAADRO CC(C)C(=O)N1CC[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@@H]21 ZINC001159790638 1073957946 /nfs/dbraw/zinc/95/79/46/1073957946.db2.gz JJEMGMOVRBHWLX-XUXIUFHCSA-N 1 0 381.477 -1.201 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159798561 1073957955 /nfs/dbraw/zinc/95/79/55/1073957955.db2.gz NJNQNJLOUGNMAC-AWEZNQCLSA-N 1 0 395.489 -1.042 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159798567 1073958627 /nfs/dbraw/zinc/95/86/27/1073958627.db2.gz NJNQNJLOUGNMAC-CQSZACIVSA-N 1 0 395.489 -1.042 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159810407 1073958705 /nfs/dbraw/zinc/95/87/05/1073958705.db2.gz ARQXEIBNMHCJNS-IHRRRGAJSA-N 1 0 375.433 -1.438 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159810408 1073958664 /nfs/dbraw/zinc/95/86/64/1073958664.db2.gz ARQXEIBNMHCJNS-MJBXVCDLSA-N 1 0 375.433 -1.438 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819190 1073958590 /nfs/dbraw/zinc/95/85/90/1073958590.db2.gz VURQDKAKXTUVSU-GUTXKFCHSA-N 1 0 396.488 -1.123 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819191 1073958617 /nfs/dbraw/zinc/95/86/17/1073958617.db2.gz VURQDKAKXTUVSU-YDHLFZDLSA-N 1 0 396.488 -1.123 20 0 GAADRO CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001159844422 1073958687 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CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001160173273 1073965756 /nfs/dbraw/zinc/96/57/56/1073965756.db2.gz JRBFJPSXZXIVJD-KJRLAJNESA-N 1 0 382.421 -3.357 20 0 GAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001160173296 1073965609 /nfs/dbraw/zinc/96/56/09/1073965609.db2.gz JRBFJPSXZXIVJD-QEKSWQHZSA-N 1 0 382.421 -3.357 20 0 GAADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001160174277 1073965622 /nfs/dbraw/zinc/96/56/22/1073965622.db2.gz TURAPAHGNSBMKO-SCLBCKFNSA-N 1 0 397.476 -1.806 20 0 GAADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001160174278 1073965697 /nfs/dbraw/zinc/96/56/97/1073965697.db2.gz TURAPAHGNSBMKO-UGSOOPFHSA-N 1 0 397.476 -1.806 20 0 GAADRO CC(=O)N1CCC[C@]2(C1)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CCO2 ZINC001160179572 1073966295 /nfs/dbraw/zinc/96/62/95/1073966295.db2.gz NEVXWKWCVPQJJP-HNNXBMFYSA-N 1 0 376.479 -1.553 20 0 GAADRO 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CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)CN1CC[NH2+]CC1)CC2 ZINC001160265993 1073967021 /nfs/dbraw/zinc/96/70/21/1073967021.db2.gz FVMJDULNSPCXIF-UHFFFAOYSA-N 1 0 375.473 -1.231 20 0 GAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001160265999 1073967029 /nfs/dbraw/zinc/96/70/29/1073967029.db2.gz FXWMTWSBGCBCKR-FOIQADDNSA-N 1 0 387.484 -1.185 20 0 GAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001160266000 1073966896 /nfs/dbraw/zinc/96/68/96/1073966896.db2.gz FXWMTWSBGCBCKR-MGPUTAFESA-N 1 0 387.484 -1.185 20 0 GAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001160266001 1073966966 /nfs/dbraw/zinc/96/69/66/1073966966.db2.gz FXWMTWSBGCBCKR-QRWLVFNGSA-N 1 0 387.484 -1.185 20 0 GAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001160266002 1073967638 /nfs/dbraw/zinc/96/76/38/1073967638.db2.gz FXWMTWSBGCBCKR-YWZLYKJASA-N 1 0 387.484 -1.185 20 0 GAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@]1(N)CCC[NH2+]C1)CC2 ZINC001160267845 1073967409 /nfs/dbraw/zinc/96/74/09/1073967409.db2.gz VKFKNYGUCLERQQ-IBGZPJMESA-N 1 0 375.473 -1.055 20 0 GAADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)CC2 ZINC001160267846 1073967596 /nfs/dbraw/zinc/96/75/96/1073967596.db2.gz VKFKNYGUCLERQQ-LJQANCHMSA-N 1 0 375.473 -1.055 20 0 GAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001160268132 1073967424 /nfs/dbraw/zinc/96/74/24/1073967424.db2.gz YFEMGTPJVGYYQJ-AWEZNQCLSA-N 1 0 378.429 -1.246 20 0 GAADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001160271995 1073967571 /nfs/dbraw/zinc/96/75/71/1073967571.db2.gz ZMIXJBPSXKVLMO-KKUMJFAQSA-N 1 0 398.504 -1.066 20 0 GAADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2 ZINC001160271997 1073967540 /nfs/dbraw/zinc/96/75/40/1073967540.db2.gz ZMIXJBPSXKVLMO-ZNMIVQPWSA-N 1 0 398.504 -1.066 20 0 GAADRO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H]2C1 ZINC001160294367 1073967442 /nfs/dbraw/zinc/96/74/42/1073967442.db2.gz AMUHEUCGZHLTNQ-QSLWVIQJSA-N 1 0 397.476 -1.776 20 0 GAADRO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]2C1 ZINC001160294824 1073967678 /nfs/dbraw/zinc/96/76/78/1073967678.db2.gz GMLQNSGNLJAQCM-BFHYXJOUSA-N 1 0 390.506 -1.263 20 0 GAADRO CC(=O)NCc1ncn2c1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CCC2 ZINC001160322429 1073967588 /nfs/dbraw/zinc/96/75/88/1073967588.db2.gz BXMCCBOSXOQLKV-UHFFFAOYSA-N 1 0 386.478 -1.528 20 0 GAADRO COCCO[C@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@H]1Cc1cnn(C)c1 ZINC001160325912 1073967463 /nfs/dbraw/zinc/96/74/63/1073967463.db2.gz NHAYVVNAFQVZJM-TUUVXOQKSA-N 1 0 397.476 -1.581 20 0 GAADRO COCCO[C@H]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)[C@H]1Cc1cnn(C)c1 ZINC001160327190 1073967523 /nfs/dbraw/zinc/96/75/23/1073967523.db2.gz ZVAYRUOIWSQHKD-IKGGRYGDSA-N 1 0 393.488 -1.075 20 0 GAADRO COCCO[C@H]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)[C@H]1Cc1cnn(C)c1 ZINC001160327197 1073967477 /nfs/dbraw/zinc/96/74/77/1073967477.db2.gz ZVAYRUOIWSQHKD-ULQDDVLXSA-N 1 0 393.488 -1.075 20 0 GAADRO CC(=O)NCc1ncn2c1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CCC2 ZINC001160336219 1073968154 /nfs/dbraw/zinc/96/81/54/1073968154.db2.gz YGQUYJONKRDDEU-JQWIXIFHSA-N 1 0 393.448 -2.041 20 0 GAADRO [NH3+][C@H]1CN[C@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342471 1073968090 /nfs/dbraw/zinc/96/80/90/1073968090.db2.gz CFCCFXODZZWGHB-CFVMTHIKSA-N 1 0 384.444 -1.249 20 0 GAADRO [NH3+][C@@H]1CN[C@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342472 1073968196 /nfs/dbraw/zinc/96/81/96/1073968196.db2.gz CFCCFXODZZWGHB-QEJZJMRPSA-N 1 0 384.444 -1.249 20 0 GAADRO [NH3+][C@@H]1CN[C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342473 1073968055 /nfs/dbraw/zinc/96/80/55/1073968055.db2.gz CFCCFXODZZWGHB-SNPRPXQTSA-N 1 0 384.444 -1.249 20 0 GAADRO [NH3+][C@H]1CN[C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342474 1073968027 /nfs/dbraw/zinc/96/80/27/1073968027.db2.gz CFCCFXODZZWGHB-YUELXQCFSA-N 1 0 384.444 -1.249 20 0 GAADRO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343228 1073968213 /nfs/dbraw/zinc/96/82/13/1073968213.db2.gz FQLBMOHJBZOOHG-GGXPGOJBSA-N 1 0 388.472 -1.139 20 0 GAADRO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343229 1073968227 /nfs/dbraw/zinc/96/82/27/1073968227.db2.gz FQLBMOHJBZOOHG-YIOZNXECSA-N 1 0 388.472 -1.139 20 0 GAADRO O=C(N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160343430 1073968078 /nfs/dbraw/zinc/96/80/78/1073968078.db2.gz JGYDXCDTYHROJL-ATZDWAIDSA-N 1 0 388.472 -1.138 20 0 GAADRO O=C(N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160343431 1073968069 /nfs/dbraw/zinc/96/80/69/1073968069.db2.gz JGYDXCDTYHROJL-IPELMVKDSA-N 1 0 388.472 -1.138 20 0 GAADRO O=C(N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160343432 1073968108 /nfs/dbraw/zinc/96/81/08/1073968108.db2.gz JGYDXCDTYHROJL-KFKAGJAMSA-N 1 0 388.472 -1.138 20 0 GAADRO O=C(N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160343433 1073968172 /nfs/dbraw/zinc/96/81/72/1073968172.db2.gz JGYDXCDTYHROJL-LZQZEXGQSA-N 1 0 388.472 -1.138 20 0 GAADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1)c1ccnnc1 ZINC001160343668 1073968135 /nfs/dbraw/zinc/96/81/35/1073968135.db2.gz LHYKQPCUICJLIJ-BPLDGKMQSA-N 1 0 385.428 -1.216 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1)c1ccnnc1 ZINC001160343669 1073968018 /nfs/dbraw/zinc/96/80/18/1073968018.db2.gz LHYKQPCUICJLIJ-NWANDNLSSA-N 1 0 385.428 -1.216 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1)c1ccnnc1 ZINC001160343670 1073967978 /nfs/dbraw/zinc/96/79/78/1073967978.db2.gz LHYKQPCUICJLIJ-QEJZJMRPSA-N 1 0 385.428 -1.216 20 0 GAADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1)c1ccnnc1 ZINC001160343671 1073967993 /nfs/dbraw/zinc/96/79/93/1073967993.db2.gz LHYKQPCUICJLIJ-SNPRPXQTSA-N 1 0 385.428 -1.216 20 0 GAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343692 1073968126 /nfs/dbraw/zinc/96/81/26/1073968126.db2.gz MHAGCUOIJQSWLN-QEJZJMRPSA-N 1 0 384.444 -1.392 20 0 GAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343693 1073968725 /nfs/dbraw/zinc/96/87/25/1073968725.db2.gz MHAGCUOIJQSWLN-SNPRPXQTSA-N 1 0 384.444 -1.392 20 0 GAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344334 1073968650 /nfs/dbraw/zinc/96/86/50/1073968650.db2.gz QPNRYVRKVOMCPI-WMLDXEAASA-N 1 0 379.417 -1.199 20 0 GAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344335 1073968604 /nfs/dbraw/zinc/96/86/04/1073968604.db2.gz QPNRYVRKVOMCPI-YOEHRIQHSA-N 1 0 379.417 -1.199 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2[NH2+]CC[C@H]2O)C1)c1ccnnc1 ZINC001160344938 1073968718 /nfs/dbraw/zinc/96/87/18/1073968718.db2.gz UURYWPAWTNOSIQ-BJJXKVORSA-N 1 0 385.428 -1.216 20 0 GAADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1)c1ccnnc1 ZINC001160344941 1073968598 /nfs/dbraw/zinc/96/85/98/1073968598.db2.gz UURYWPAWTNOSIQ-INWMFGNUSA-N 1 0 385.428 -1.216 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1)c1ccnnc1 ZINC001160344943 1073968732 /nfs/dbraw/zinc/96/87/32/1073968732.db2.gz UURYWPAWTNOSIQ-NOLJZWGESA-N 1 0 385.428 -1.216 20 0 GAADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2[NH2+]CC[C@H]2O)C1)c1ccnnc1 ZINC001160344945 1073968683 /nfs/dbraw/zinc/96/86/83/1073968683.db2.gz UURYWPAWTNOSIQ-XPKDYRNWSA-N 1 0 385.428 -1.216 20 0 GAADRO N[C@@]1(C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)CC[NH2+]C1 ZINC001160344965 1073968664 /nfs/dbraw/zinc/96/86/64/1073968664.db2.gz VEGYRGFVALBMGX-ACJLOTCBSA-N 1 0 384.444 -1.248 20 0 GAADRO N[C@]1(C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)CC[NH2+]C1 ZINC001160344967 1073968670 /nfs/dbraw/zinc/96/86/70/1073968670.db2.gz VEGYRGFVALBMGX-FZKQIMNGSA-N 1 0 384.444 -1.248 20 0 GAADRO N[C@]1(C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)CC[NH2+]C1 ZINC001160344969 1073968678 /nfs/dbraw/zinc/96/86/78/1073968678.db2.gz VEGYRGFVALBMGX-SCLBCKFNSA-N 1 0 384.444 -1.248 20 0 GAADRO N[C@@]1(C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)CC[NH2+]C1 ZINC001160344971 1073968626 /nfs/dbraw/zinc/96/86/26/1073968626.db2.gz VEGYRGFVALBMGX-UGSOOPFHSA-N 1 0 384.444 -1.248 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]C[C@H]2O)C1)c1ccnnc1 ZINC001160345640 1073968628 /nfs/dbraw/zinc/96/86/28/1073968628.db2.gz XIGMCFNFSMIHEQ-AEGPPILISA-N 1 0 385.428 -1.358 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)C1)c1ccnnc1 ZINC001160345641 1073968692 /nfs/dbraw/zinc/96/86/92/1073968692.db2.gz XIGMCFNFSMIHEQ-CFVMTHIKSA-N 1 0 385.428 -1.358 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)C1)c1ccnnc1 ZINC001160345642 1073968698 /nfs/dbraw/zinc/96/86/98/1073968698.db2.gz XIGMCFNFSMIHEQ-NWANDNLSSA-N 1 0 385.428 -1.358 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)C1)c1ccnnc1 ZINC001160345643 1073969365 /nfs/dbraw/zinc/96/93/65/1073969365.db2.gz XIGMCFNFSMIHEQ-QEJZJMRPSA-N 1 0 385.428 -1.358 20 0 GAADRO O=C(CN1CC[NH2+]CC1)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160345711 1073969321 /nfs/dbraw/zinc/96/93/21/1073969321.db2.gz YLHJCKZQOBHDAI-HNNXBMFYSA-N 1 0 398.471 -1.033 20 0 GAADRO O=C(CN1CC[NH2+]CC1)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160345713 1073969384 /nfs/dbraw/zinc/96/93/84/1073969384.db2.gz YLHJCKZQOBHDAI-OAHLLOKOSA-N 1 0 398.471 -1.033 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CCN2)C1)c1ccnnc1 ZINC001160346093 1073969288 /nfs/dbraw/zinc/96/92/88/1073969288.db2.gz ZBGFHXPPODHLBU-DZGCQCFKSA-N 1 0 384.444 -1.377 20 0 GAADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CCN2)C1)c1ccnnc1 ZINC001160346094 1073969369 /nfs/dbraw/zinc/96/93/69/1073969369.db2.gz ZBGFHXPPODHLBU-HIFRSBDPSA-N 1 0 384.444 -1.377 20 0 GAADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CCN2)C1)c1ccnnc1 ZINC001160346095 1073969305 /nfs/dbraw/zinc/96/93/05/1073969305.db2.gz ZBGFHXPPODHLBU-UKRRQHHQSA-N 1 0 384.444 -1.377 20 0 GAADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CCN2)C1)c1ccnnc1 ZINC001160346096 1073969282 /nfs/dbraw/zinc/96/92/82/1073969282.db2.gz ZBGFHXPPODHLBU-ZFWWWQNUSA-N 1 0 384.444 -1.377 20 0 GAADRO O=C(CN1CC[NH2+]CC1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352698 1073969396 /nfs/dbraw/zinc/96/93/96/1073969396.db2.gz IGMWGRXQGNUNMI-GOSISDBHSA-N 1 0 376.461 -1.184 20 0 GAADRO O=C(CN1CC[NH2+]CC1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352700 1073969300 /nfs/dbraw/zinc/96/93/00/1073969300.db2.gz IGMWGRXQGNUNMI-SFHVURJKSA-N 1 0 376.461 -1.184 20 0 GAADRO NC1(C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CC[NH2+]CC1 ZINC001160353133 1073969208 /nfs/dbraw/zinc/96/92/08/1073969208.db2.gz LVAALBNTWFIYAP-KRWDZBQOSA-N 1 0 376.461 -1.008 20 0 GAADRO NC1(C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CC[NH2+]CC1 ZINC001160353134 1073969312 /nfs/dbraw/zinc/96/93/12/1073969312.db2.gz LVAALBNTWFIYAP-QGZVFWFLSA-N 1 0 376.461 -1.008 20 0 GAADRO N[C@@]1(C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CCC[NH2+]C1 ZINC001160354658 1073969277 /nfs/dbraw/zinc/96/92/77/1073969277.db2.gz WOHYVHIKWHVDBT-MSOLQXFVSA-N 1 0 376.461 -1.008 20 0 GAADRO N[C@]1(C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CCC[NH2+]C1 ZINC001160354659 1073969295 /nfs/dbraw/zinc/96/92/95/1073969295.db2.gz WOHYVHIKWHVDBT-QZTJIDSGSA-N 1 0 376.461 -1.008 20 0 GAADRO N[C@@]1(C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CCC[NH2+]C1 ZINC001160354660 1073969243 /nfs/dbraw/zinc/96/92/43/1073969243.db2.gz WOHYVHIKWHVDBT-ROUUACIJSA-N 1 0 376.461 -1.008 20 0 GAADRO N[C@]1(C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CCC[NH2+]C1 ZINC001160354661 1073969251 /nfs/dbraw/zinc/96/92/51/1073969251.db2.gz WOHYVHIKWHVDBT-ZWKOTPCHSA-N 1 0 376.461 -1.008 20 0 GAADRO C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)CCC2 ZINC001160357746 1073969328 /nfs/dbraw/zinc/96/93/28/1073969328.db2.gz MIYCDDVMIPKYDZ-LBPRGKRZSA-N 1 0 377.453 -1.223 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C2 ZINC001160380097 1073969345 /nfs/dbraw/zinc/96/93/45/1073969345.db2.gz BAYBMHWRQPZDIF-ZDUSSCGKSA-N 1 0 390.448 -1.471 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)CCCCNC(N)=[NH2+])C2 ZINC001160380225 1073969790 /nfs/dbraw/zinc/96/97/90/1073969790.db2.gz CEZVEJDVMKMHGK-UHFFFAOYSA-N 1 0 380.453 -1.122 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001160380304 1073969988 /nfs/dbraw/zinc/96/99/88/1073969988.db2.gz CRYFFULWAGNGDY-PXAZEXFGSA-N 1 0 377.449 -1.823 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001160380306 1073969973 /nfs/dbraw/zinc/96/99/73/1073969973.db2.gz CRYFFULWAGNGDY-SJCJKPOMSA-N 1 0 377.449 -1.823 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001160380308 1073969745 /nfs/dbraw/zinc/96/97/45/1073969745.db2.gz CRYFFULWAGNGDY-SJKOYZFVSA-N 1 0 377.449 -1.823 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001160380309 1073969839 /nfs/dbraw/zinc/96/98/39/1073969839.db2.gz CRYFFULWAGNGDY-YVEFUNNKSA-N 1 0 377.449 -1.823 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001160380444 1073969891 /nfs/dbraw/zinc/96/98/91/1073969891.db2.gz FONNRNYQZWVDRD-LBPRGKRZSA-N 1 0 393.448 -1.825 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)C2 ZINC001160380625 1073969724 /nfs/dbraw/zinc/96/97/24/1073969724.db2.gz HRYYQOPANYMJAR-RWMBFGLXSA-N 1 0 377.449 -1.825 20 0 GAADRO CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001160380797 1073970048 /nfs/dbraw/zinc/97/00/48/1073970048.db2.gz JTQNFYAGYRGZHX-STQMWFEESA-N 1 0 381.481 -1.325 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)C2 ZINC001160381009 1073969680 /nfs/dbraw/zinc/96/96/80/1073969680.db2.gz NEDOFJHSBKEPLU-GFCCVEGCSA-N 1 0 376.421 -1.482 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C2 ZINC001160381013 1073970005 /nfs/dbraw/zinc/97/00/05/1073970005.db2.gz NEDOFJHSBKEPLU-LBPRGKRZSA-N 1 0 376.421 -1.482 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001160381059 1073969859 /nfs/dbraw/zinc/96/98/59/1073969859.db2.gz OJYMFYZSVDBOQM-KPHLJTLVSA-N 1 0 386.478 -1.679 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001160381060 1073969904 /nfs/dbraw/zinc/96/99/04/1073969904.db2.gz OJYMFYZSVDBOQM-LJZMDLFKSA-N 1 0 386.478 -1.679 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCn2c(COCC(=O)N(C)C)nnc2C1 ZINC001160381093 1073970037 /nfs/dbraw/zinc/97/00/37/1073970037.db2.gz QCFINGOQPKMBMJ-QWRGUYRKSA-N 1 0 397.436 -2.951 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001160381125 1073969765 /nfs/dbraw/zinc/96/97/65/1073969765.db2.gz QSEQJRGZGFREAF-GFCCVEGCSA-N 1 0 393.448 -2.445 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001160381128 1073969949 /nfs/dbraw/zinc/96/99/49/1073969949.db2.gz QSEQJRGZGFREAF-LBPRGKRZSA-N 1 0 393.448 -2.445 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)C2 ZINC001160381672 1073970455 /nfs/dbraw/zinc/97/04/55/1073970455.db2.gz XNUPTHDGFJZJHO-QFSBIZTOSA-N 1 0 377.449 -1.553 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001160381684 1073970353 /nfs/dbraw/zinc/97/03/53/1073970353.db2.gz YEJJYEYVKFJDFT-LLVKDONJSA-N 1 0 396.452 -1.999 20 0 GAADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]3CC[NH2+]C[C@H]3O1)C2 ZINC001160381719 1073970417 /nfs/dbraw/zinc/97/04/17/1073970417.db2.gz YSBHZVPOROLFDA-MELADBBJSA-N 1 0 392.460 -1.008 20 0 GAADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)C3(N)CC[NH2+]CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160399038 1073970510 /nfs/dbraw/zinc/97/05/10/1073970510.db2.gz MYIJQRUIHSYTKF-RRFJBIMHSA-N 1 0 376.461 -1.011 20 0 GAADRO O=C(c1cnccn1)N1CCOC2(CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)CC2)C1 ZINC001160399086 1073970593 /nfs/dbraw/zinc/97/05/93/1073970593.db2.gz OQMAFQJECIMYRG-DZGCQCFKSA-N 1 0 375.429 -1.110 20 0 GAADRO O=C(c1cnccn1)N1CCOC2(CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)CC2)C1 ZINC001160399088 1073970379 /nfs/dbraw/zinc/97/03/79/1073970379.db2.gz OQMAFQJECIMYRG-HIFRSBDPSA-N 1 0 375.429 -1.110 20 0 GAADRO O=C(c1cnccn1)N1CCOC2(CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)CC2)C1 ZINC001160399089 1073970613 /nfs/dbraw/zinc/97/06/13/1073970613.db2.gz OQMAFQJECIMYRG-UKRRQHHQSA-N 1 0 375.429 -1.110 20 0 GAADRO O=C(c1cnccn1)N1CCOC2(CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)CC2)C1 ZINC001160399090 1073970602 /nfs/dbraw/zinc/97/06/02/1073970602.db2.gz OQMAFQJECIMYRG-ZFWWWQNUSA-N 1 0 375.429 -1.110 20 0 GAADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160399889 1073970533 /nfs/dbraw/zinc/97/05/33/1073970533.db2.gz WPPJZDPEURHDJZ-BORJPKMPSA-N 1 0 376.461 -1.011 20 0 GAADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160399892 1073970370 /nfs/dbraw/zinc/97/03/70/1073970370.db2.gz WPPJZDPEURHDJZ-LUXYFRNMSA-N 1 0 376.461 -1.011 20 0 GAADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160401008 1073970346 /nfs/dbraw/zinc/97/03/46/1073970346.db2.gz HNWHKNMPZQAEET-CEMYWYHPSA-N 1 0 388.472 -1.142 20 0 GAADRO CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001160401223 1073971154 /nfs/dbraw/zinc/97/11/54/1073971154.db2.gz MJCCRTWRVRCLSV-BYNSBNAKSA-N 1 0 379.417 -1.201 20 0 GAADRO Cn1cc(C(=O)N[C@H]2CN(C(=O)CN3CC[NH2+]CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160401604 1073971203 /nfs/dbraw/zinc/97/12/03/1073971203.db2.gz UYZQLJDXDARTBO-ZMSDIMECSA-N 1 0 376.461 -1.187 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)C[C@@H](O)C[NH3+])CC2 ZINC001160403946 1073971236 /nfs/dbraw/zinc/97/12/36/1073971236.db2.gz GGXNBVCZFGMXRS-CYBMUJFWSA-N 1 0 375.433 -1.359 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)C[C@H](O)C[NH3+])CC2 ZINC001160403949 1073971212 /nfs/dbraw/zinc/97/12/12/1073971212.db2.gz GGXNBVCZFGMXRS-ZDUSSCGKSA-N 1 0 375.433 -1.359 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001160405132 1073971129 /nfs/dbraw/zinc/97/11/29/1073971129.db2.gz FXWAYGRIPGNWSK-AWEZNQCLSA-N 1 0 386.460 -1.507 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001160405960 1073971289 /nfs/dbraw/zinc/97/12/89/1073971289.db2.gz NITAAQVIVGKWTR-KBPBESRZSA-N 1 0 387.444 -1.488 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001160405961 1073971193 /nfs/dbraw/zinc/97/11/93/1073971193.db2.gz NITAAQVIVGKWTR-KGLIPLIRSA-N 1 0 387.444 -1.488 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC001160405962 1073971262 /nfs/dbraw/zinc/97/12/62/1073971262.db2.gz NITAAQVIVGKWTR-UONOGXRCSA-N 1 0 387.444 -1.488 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC001160405963 1073971104 /nfs/dbraw/zinc/97/11/04/1073971104.db2.gz NITAAQVIVGKWTR-ZIAGYGMSSA-N 1 0 387.444 -1.488 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001160406031 1073971270 /nfs/dbraw/zinc/97/12/70/1073971270.db2.gz NYEZZLUGDVVWRU-KBPBESRZSA-N 1 0 386.460 -1.522 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2 ZINC001160406041 1073971114 /nfs/dbraw/zinc/97/11/14/1073971114.db2.gz NZFQPCMDAGGURX-HIFRSBDPSA-N 1 0 387.444 -1.346 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001160406043 1073971295 /nfs/dbraw/zinc/97/12/95/1073971295.db2.gz NZFQPCMDAGGURX-ZFWWWQNUSA-N 1 0 387.444 -1.346 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001160406722 1073971890 /nfs/dbraw/zinc/97/18/90/1073971890.db2.gz WISAFFRFJABONH-KBPBESRZSA-N 1 0 387.444 -1.346 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001160406727 1073971635 /nfs/dbraw/zinc/97/16/35/1073971635.db2.gz WISAFFRFJABONH-ZIAGYGMSSA-N 1 0 387.444 -1.346 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2 ZINC001160406765 1073971667 /nfs/dbraw/zinc/97/16/67/1073971667.db2.gz WSLRNLUZJYBFQC-GOSISDBHSA-N 1 0 386.460 -1.378 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@]1(N)CC[NH2+]C1)CC2 ZINC001160406768 1073971693 /nfs/dbraw/zinc/97/16/93/1073971693.db2.gz WSLRNLUZJYBFQC-SFHVURJKSA-N 1 0 386.460 -1.378 20 0 GAADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)CC2 ZINC001160406800 1073971907 /nfs/dbraw/zinc/97/19/07/1073971907.db2.gz WYLBDGCIDMRMLB-OCCSQVGLSA-N 1 0 386.460 -1.380 20 0 GAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001160418088 1073971733 /nfs/dbraw/zinc/97/17/33/1073971733.db2.gz INMRJIKLUARXKR-KDOFPFPSSA-N 1 0 399.492 -1.125 20 0 GAADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001160418092 1073971825 /nfs/dbraw/zinc/97/18/25/1073971825.db2.gz INMRJIKLUARXKR-RDTXWAMCSA-N 1 0 399.492 -1.125 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160419488 1073971778 /nfs/dbraw/zinc/97/17/78/1073971778.db2.gz SDNUKWIMJSUQRB-XAYKYTGQSA-N 1 0 390.444 -1.354 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160419489 1073971676 /nfs/dbraw/zinc/97/16/76/1073971676.db2.gz SDNUKWIMJSUQRB-YEWDVWPNSA-N 1 0 390.444 -1.354 20 0 GAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001160419912 1073971652 /nfs/dbraw/zinc/97/16/52/1073971652.db2.gz VKNFMVMCPMOYIV-BEFAXECRSA-N 1 0 396.488 -1.571 20 0 GAADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001160419913 1073971766 /nfs/dbraw/zinc/97/17/66/1073971766.db2.gz VKNFMVMCPMOYIV-DNVCBOLYSA-N 1 0 396.488 -1.571 20 0 GAADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001160419914 1073971791 /nfs/dbraw/zinc/97/17/91/1073971791.db2.gz VKNFMVMCPMOYIV-HNAYVOBHSA-N 1 0 396.488 -1.571 20 0 GAADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001160419915 1073972367 /nfs/dbraw/zinc/97/23/67/1073972367.db2.gz VKNFMVMCPMOYIV-KXBFYZLASA-N 1 0 396.488 -1.571 20 0 GAADRO COc1cc(OC)nc(CN2CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)CC2)n1 ZINC001160428113 1073972602 /nfs/dbraw/zinc/97/26/02/1073972602.db2.gz FRUASHDTUXGAPX-CYBMUJFWSA-N 1 0 392.460 -1.532 20 0 GAADRO COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)CC2)n1 ZINC001160428120 1073972618 /nfs/dbraw/zinc/97/26/18/1073972618.db2.gz FRUASHDTUXGAPX-ZDUSSCGKSA-N 1 0 392.460 -1.532 20 0 GAADRO COc1cc(OC)nc(CN2CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2)n1 ZINC001160428712 1073972539 /nfs/dbraw/zinc/97/25/39/1073972539.db2.gz LGHYOYUABADBOT-GFCCVEGCSA-N 1 0 395.464 -1.086 20 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CN(CCCc1ccccc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160448263 1073973325 /nfs/dbraw/zinc/97/33/25/1073973325.db2.gz ATMNWBPCUJBYAJ-UHFFFAOYSA-N 1 0 377.445 -1.615 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCNC(=O)[C@@H]1C ZINC001160451638 1073973399 /nfs/dbraw/zinc/97/33/99/1073973399.db2.gz SGPUSRKEQHQCFE-IHRRRGAJSA-N 1 0 381.477 -1.268 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCNC(=O)[C@H]1C ZINC001160451639 1073973390 /nfs/dbraw/zinc/97/33/90/1073973390.db2.gz SGPUSRKEQHQCFE-RDBSUJKOSA-N 1 0 381.477 -1.268 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001160451953 1073973056 /nfs/dbraw/zinc/97/30/56/1073973056.db2.gz VQISDRWLYXWFPF-IHRRRGAJSA-N 1 0 381.477 -1.055 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001160451954 1073973296 /nfs/dbraw/zinc/97/32/96/1073973296.db2.gz VQISDRWLYXWFPF-MJBXVCDLSA-N 1 0 381.477 -1.055 20 0 GAADRO NC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001160456898 1073973275 /nfs/dbraw/zinc/97/32/75/1073973275.db2.gz SQIIBZWXAAQSQV-KBPBESRZSA-N 1 0 379.417 -2.038 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCN(C(N)=O)CC1 ZINC001160456924 1073973162 /nfs/dbraw/zinc/97/31/62/1073973162.db2.gz UMILSJFGYPFRHL-KBPBESRZSA-N 1 0 396.492 -1.392 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001160461581 1073973354 /nfs/dbraw/zinc/97/33/54/1073973354.db2.gz TTZMUQHTYMBANV-HOCLYGCPSA-N 1 0 391.472 -1.083 20 0 GAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC2(C1)OCCO2 ZINC001160470922 1073973209 /nfs/dbraw/zinc/97/32/09/1073973209.db2.gz LESBVNOEZNMYOT-GJZGRUSLSA-N 1 0 379.413 -1.286 20 0 GAADRO CC1(C)C(=O)NCCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160478658 1073973195 /nfs/dbraw/zinc/97/31/95/1073973195.db2.gz YGXIGAVRDNSEFQ-KBPBESRZSA-N 1 0 378.429 -1.524 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(CCc2ccccn2)CC1 ZINC001160483127 1073973894 /nfs/dbraw/zinc/97/38/94/1073973894.db2.gz NZDSJFPOEMIFJX-ZFWWWQNUSA-N 1 0 376.461 -1.524 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484397 1073973706 /nfs/dbraw/zinc/97/37/06/1073973706.db2.gz XNSAVULOTNQGMI-UHFFFAOYSA-N 1 0 375.495 -2.027 20 0 GAADRO CC(C)NC(=O)CN1CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001160484770 1073973742 /nfs/dbraw/zinc/97/37/42/1073973742.db2.gz CHZFYGSKDFVPKR-AWEZNQCLSA-N 1 0 385.509 -1.086 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160485115 1073973668 /nfs/dbraw/zinc/97/36/68/1073973668.db2.gz QVYPIOMRNSFTMR-STQMWFEESA-N 1 0 382.465 -2.540 20 0 GAADRO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])CC1 ZINC001160485137 1073973791 /nfs/dbraw/zinc/97/37/91/1073973791.db2.gz RNGHGNLDGDBUQU-KBPBESRZSA-N 1 0 383.493 -1.034 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC(OCc2ccccc2)C1 ZINC001160490733 1073973849 /nfs/dbraw/zinc/97/38/49/1073973849.db2.gz FWHIDERBMHODHU-UHFFFAOYSA-N 1 0 391.428 -2.279 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160490820 1073973863 /nfs/dbraw/zinc/97/38/63/1073973863.db2.gz YYNVMTZFNZKXKJ-ZFWWWQNUSA-N 1 0 376.461 -1.524 20 0 GAADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001160492789 1073973724 /nfs/dbraw/zinc/97/37/24/1073973724.db2.gz HQEZEOLTEBDDCW-PSASIEDQSA-N 1 0 383.448 -2.177 20 0 GAADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001160492790 1073973813 /nfs/dbraw/zinc/97/38/13/1073973813.db2.gz HQEZEOLTEBDDCW-SCZZXKLOSA-N 1 0 383.448 -2.177 20 0 GAADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001160492791 1073973697 /nfs/dbraw/zinc/97/36/97/1073973697.db2.gz HQEZEOLTEBDDCW-WCBMZHEXSA-N 1 0 383.448 -2.177 20 0 GAADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001160492792 1073973658 /nfs/dbraw/zinc/97/36/58/1073973658.db2.gz HQEZEOLTEBDDCW-WPRPVWTQSA-N 1 0 383.448 -2.177 20 0 GAADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160493671 1073974469 /nfs/dbraw/zinc/97/44/69/1073974469.db2.gz ORWGRQFGMHAQME-GLTNYXDESA-N 1 0 390.418 -2.690 20 0 GAADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160493680 1073974180 /nfs/dbraw/zinc/97/41/80/1073974180.db2.gz ORWGRQFGMHAQME-OUDXYJABSA-N 1 0 390.418 -2.690 20 0 GAADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160493682 1073974443 /nfs/dbraw/zinc/97/44/43/1073974443.db2.gz ORWGRQFGMHAQME-QZOVBDONSA-N 1 0 390.418 -2.690 20 0 GAADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160493683 1073974408 /nfs/dbraw/zinc/97/44/08/1073974408.db2.gz ORWGRQFGMHAQME-ZNWBZCOPSA-N 1 0 390.418 -2.690 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(C)CC(=O)N(C)C ZINC001160503666 1073974432 /nfs/dbraw/zinc/97/44/32/1073974432.db2.gz BGNKUOIJIBPBIE-KBPBESRZSA-N 1 0 383.493 -1.068 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160503760 1073974320 /nfs/dbraw/zinc/97/43/20/1073974320.db2.gz FIAJMRFKZLWHRD-AVGNSLFASA-N 1 0 383.449 -2.066 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160503761 1073974480 /nfs/dbraw/zinc/97/44/80/1073974480.db2.gz FIAJMRFKZLWHRD-RWMBFGLXSA-N 1 0 383.449 -2.066 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160507403 1073974392 /nfs/dbraw/zinc/97/43/92/1073974392.db2.gz YIPOLIAZLNGZNZ-CYBMUJFWSA-N 1 0 376.479 -1.553 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160507404 1073974402 /nfs/dbraw/zinc/97/44/02/1073974402.db2.gz YIPOLIAZLNGZNZ-ZDUSSCGKSA-N 1 0 376.479 -1.553 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001160524630 1073974271 /nfs/dbraw/zinc/97/42/71/1073974271.db2.gz NZHJVTIQCHMFBJ-CYBMUJFWSA-N 1 0 376.417 -2.295 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](c2cccnc2)C1 ZINC001160524631 1073974422 /nfs/dbraw/zinc/97/44/22/1073974422.db2.gz NZHJVTIQCHMFBJ-ZDUSSCGKSA-N 1 0 376.417 -2.295 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC001160530052 1073974454 /nfs/dbraw/zinc/97/44/54/1073974454.db2.gz FOGMXXASZAAKOC-AWEZNQCLSA-N 1 0 391.428 -2.106 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001160530053 1073974359 /nfs/dbraw/zinc/97/43/59/1073974359.db2.gz FOGMXXASZAAKOC-CQSZACIVSA-N 1 0 391.428 -2.106 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(c2ccccn2)CC1 ZINC001160530520 1073974205 /nfs/dbraw/zinc/97/42/05/1073974205.db2.gz KNTDKINMMDRYLF-UHFFFAOYSA-N 1 0 390.444 -1.905 20 0 GAADRO COC(=O)CN1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160530957 1073974509 /nfs/dbraw/zinc/97/45/09/1073974509.db2.gz BYJGLZKNTIMILZ-UHFFFAOYSA-N 1 0 386.409 -4.389 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC001160534919 1073974295 /nfs/dbraw/zinc/97/42/95/1073974295.db2.gz LMNGTULUVFRUAC-GFCCVEGCSA-N 1 0 393.419 -1.551 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC001160534920 1073974377 /nfs/dbraw/zinc/97/43/77/1073974377.db2.gz LMNGTULUVFRUAC-LBPRGKRZSA-N 1 0 393.419 -1.551 20 0 GAADRO COC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001160535022 1073974347 /nfs/dbraw/zinc/97/43/47/1073974347.db2.gz MVGVKUKPRWWVEI-STQMWFEESA-N 1 0 383.449 -2.242 20 0 GAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C1COC1)C(=O)CF ZINC001160541962 1073975035 /nfs/dbraw/zinc/97/50/35/1073975035.db2.gz LFGWAQOCQYENEU-WBIUFABUSA-N 1 0 388.440 -1.255 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1Cc1ccccn1 ZINC001160544033 1073975013 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[NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001160771988 1073979475 /nfs/dbraw/zinc/97/94/75/1073979475.db2.gz KUKWVFWYYPELON-CQSZACIVSA-N 1 0 391.375 -2.680 20 0 GAADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772146 1073979526 /nfs/dbraw/zinc/97/95/26/1073979526.db2.gz PAKCKGXRKFQDLX-CYBMUJFWSA-N 1 0 385.486 -1.092 20 0 GAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772147 1073979503 /nfs/dbraw/zinc/97/95/03/1073979503.db2.gz PAKCKGXRKFQDLX-ZDUSSCGKSA-N 1 0 385.486 -1.092 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772765 1073979515 /nfs/dbraw/zinc/97/95/15/1073979515.db2.gz WVTWWOZOCZNUQL-UHFFFAOYSA-N 1 0 398.420 -4.199 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772823 1073979448 /nfs/dbraw/zinc/97/94/48/1073979448.db2.gz XUUCQKPCALOLDY-STQMWFEESA-N 1 0 395.460 -2.052 20 0 GAADRO 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COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)C2 ZINC001160774221 1073980225 /nfs/dbraw/zinc/98/02/25/1073980225.db2.gz QGMFILFSJBVRIQ-QWHCGFSZSA-N 1 0 388.490 -2.075 20 0 GAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)C2 ZINC001160774222 1073980071 /nfs/dbraw/zinc/98/00/71/1073980071.db2.gz QGMFILFSJBVRIQ-STQMWFEESA-N 1 0 388.490 -2.075 20 0 GAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C2 ZINC001160774251 1073979975 /nfs/dbraw/zinc/97/99/75/1073979975.db2.gz REPYBZLTCIJGFK-NEPJUHHUSA-N 1 0 389.474 -1.335 20 0 GAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C2 ZINC001160774252 1073980195 /nfs/dbraw/zinc/98/01/95/1073980195.db2.gz REPYBZLTCIJGFK-RYUDHWBXSA-N 1 0 389.474 -1.335 20 0 GAADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C2 ZINC001160774531 1073980054 /nfs/dbraw/zinc/98/00/54/1073980054.db2.gz VRKASAJERGFNJD-NEPJUHHUSA-N 1 0 387.458 -1.485 20 0 GAADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C2 ZINC001160774532 1073980010 /nfs/dbraw/zinc/98/00/10/1073980010.db2.gz VRKASAJERGFNJD-RYUDHWBXSA-N 1 0 387.458 -1.485 20 0 GAADRO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160786717 1073980235 /nfs/dbraw/zinc/98/02/35/1073980235.db2.gz HHVGMJUVUQGRMX-FWDPORAESA-N 1 0 380.405 -1.894 20 0 GAADRO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001160786718 1073980163 /nfs/dbraw/zinc/98/01/63/1073980163.db2.gz HHVGMJUVUQGRMX-GMOODISLSA-N 1 0 380.405 -1.894 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160789166 1073980179 /nfs/dbraw/zinc/98/01/79/1073980179.db2.gz WMRMCLLXYNCUQK-LLVKDONJSA-N 1 0 387.412 -2.587 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160789173 1073980215 /nfs/dbraw/zinc/98/02/15/1073980215.db2.gz WMRMCLLXYNCUQK-NSHDSACASA-N 1 0 387.412 -2.587 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789430 1073980086 /nfs/dbraw/zinc/98/00/86/1073980086.db2.gz CZUCJPQVHFGTRR-JTQLQIEISA-N 1 0 384.393 -4.637 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789433 1073979995 /nfs/dbraw/zinc/97/99/95/1073979995.db2.gz CZUCJPQVHFGTRR-SNVBAGLBSA-N 1 0 384.393 -4.637 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790903 1073980204 /nfs/dbraw/zinc/98/02/04/1073980204.db2.gz SSTLBIIMHJYLLI-AVGNSLFASA-N 1 0 381.433 -2.490 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790906 1073980605 /nfs/dbraw/zinc/98/06/05/1073980605.db2.gz SSTLBIIMHJYLLI-XQQFMLRXSA-N 1 0 381.433 -2.490 20 0 GAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@H]1C2 ZINC001160791918 1073980734 /nfs/dbraw/zinc/98/07/34/1073980734.db2.gz IHPSUCZUNOUNPW-OEUWWYETSA-N 1 0 385.486 -1.426 20 0 GAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]1C2 ZINC001160792165 1073980745 /nfs/dbraw/zinc/98/07/45/1073980745.db2.gz RNPGSKIFQVPTEH-AKRCLRKHSA-N 1 0 386.401 -3.512 20 0 GAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H]1C2 ZINC001160792166 1073980631 /nfs/dbraw/zinc/98/06/31/1073980631.db2.gz RNPGSKIFQVPTEH-IHCAGFJFSA-N 1 0 386.401 -3.512 20 0 GAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]1C2 ZINC001160792167 1073980707 /nfs/dbraw/zinc/98/07/07/1073980707.db2.gz RNPGSKIFQVPTEH-JGNSMCTJSA-N 1 0 386.401 -3.512 20 0 GAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H]1C2 ZINC001160792168 1073980751 /nfs/dbraw/zinc/98/07/51/1073980751.db2.gz RNPGSKIFQVPTEH-KRJNMTTASA-N 1 0 386.401 -3.512 20 0 GAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)Cn3cc(F)c(=O)[nH]c3=O)C[C@H]1C2 ZINC001160794511 1073980766 /nfs/dbraw/zinc/98/07/66/1073980766.db2.gz PMCLTLARGCCHGS-SPGKTFTMSA-N 1 0 380.376 -1.055 20 0 GAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CNC(=O)[C@@H]3CCC(=O)N3)C[C@H]1C2 ZINC001160796893 1073980618 /nfs/dbraw/zinc/98/06/18/1073980618.db2.gz AAHOSVWVQLWECR-DZJNOPEPSA-N 1 0 378.429 -1.762 20 0 GAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160796918 1073980785 /nfs/dbraw/zinc/98/07/85/1073980785.db2.gz BCCXGWJKNIXNMP-DZJNOPEPSA-N 1 0 396.444 -1.166 20 0 GAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)C[C@H]1C2 ZINC001160797211 1073980714 /nfs/dbraw/zinc/98/07/14/1073980714.db2.gz KAEPABHFQPRLRM-MTVAPTMQSA-N 1 0 396.444 -2.543 20 0 GAADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cc(=O)n(C)c(=O)n3C)C[C@H]1C2 ZINC001160797229 1073980756 /nfs/dbraw/zinc/98/07/56/1073980756.db2.gz KUZLYOGDQOLTKM-FLMCSSBNSA-N 1 0 376.413 -1.445 20 0 GAADRO 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/nfs/dbraw/zinc/98/12/25/1073981225.db2.gz PDEXCKDUDDUBOH-SPGKTFTMSA-N 1 0 387.400 -1.706 20 0 GAADRO CCOC(=O)c1cnc2n1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001160805363 1073981209 /nfs/dbraw/zinc/98/12/09/1073981209.db2.gz BBRGIEJLTUWPEU-UHFFFAOYSA-N 1 0 387.462 -1.335 20 0 GAADRO CCOC(=O)c1cnc2n1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001160805699 1073981292 /nfs/dbraw/zinc/98/12/92/1073981292.db2.gz DDBUEJMRJCXABL-QWRGUYRKSA-N 1 0 394.432 -1.848 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160806317 1073981320 /nfs/dbraw/zinc/98/13/20/1073981320.db2.gz NXPBVLNXLIAPHE-UHFFFAOYSA-N 1 0 396.517 -1.365 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160806585 1073981370 /nfs/dbraw/zinc/98/13/70/1073981370.db2.gz RLNGTKXTOUBCDY-ZFWWWQNUSA-N 1 0 376.461 -1.761 20 0 GAADRO CCOC(=O)[C@]12CN(C(=O)CC[C@@H]3NC(=O)[C@H](C)NC3=O)C[C@H]1C[NH2+]CC2 ZINC001160811923 1073981249 /nfs/dbraw/zinc/98/12/49/1073981249.db2.gz AKBKGBTYVLKKHO-CVXDAYKESA-N 1 0 380.445 -1.229 20 0 GAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001160813488 1073981126 /nfs/dbraw/zinc/98/11/26/1073981126.db2.gz ZMSSFLNMCQNQFC-BWACUDIHSA-N 1 0 384.433 -1.022 20 0 GAADRO CCOC(=O)[C@]12CN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)C[C@H]1C[NH2+]CC2 ZINC001160814130 1073981329 /nfs/dbraw/zinc/98/13/29/1073981329.db2.gz VHSAVVPJADZQHE-IIYDPXPESA-N 1 0 384.433 -2.399 20 0 GAADRO CCOC(=O)[C@]12CN(C(=O)c3ncn4c3nnn(C)c4=O)C[C@H]1C[NH2+]CC2 ZINC001160820464 1073981850 /nfs/dbraw/zinc/98/18/50/1073981850.db2.gz WGXZCIANQGGCHQ-QLJPJBMISA-N 1 0 375.389 -1.562 20 0 GAADRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001160820486 1073981803 /nfs/dbraw/zinc/98/18/03/1073981803.db2.gz XCXCQRJHYHYDNB-SRVKXCTJSA-N 1 0 397.432 -2.906 20 0 GAADRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001160820487 1073981915 /nfs/dbraw/zinc/98/19/15/1073981915.db2.gz 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/nfs/dbraw/zinc/98/52/94/1073985294.db2.gz XGTFEQJDEAHSSK-DEYYWGMASA-N 1 0 394.428 -2.158 20 0 GAADRO COC(=O)[C@@]1(N)CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001161139558 1073985355 /nfs/dbraw/zinc/98/53/55/1073985355.db2.gz XGTFEQJDEAHSSK-SUNYJGFJSA-N 1 0 394.428 -2.158 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001161150827 1073986006 /nfs/dbraw/zinc/98/60/06/1073986006.db2.gz NJDQPAXZAQTZCE-CSMHCCOUSA-N 1 0 391.354 -1.093 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001161150830 1073985981 /nfs/dbraw/zinc/98/59/81/1073985981.db2.gz NJDQPAXZAQTZCE-FXQIFTODSA-N 1 0 391.354 -1.093 20 0 GAADRO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](N)C[NH3+])CC2)c2nonc21 ZINC001161154369 1073985973 /nfs/dbraw/zinc/98/59/73/1073985973.db2.gz YSLAMNLKIIUIHJ-JTQLQIEISA-N 1 0 397.461 -1.592 20 0 GAADRO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1 ZINC001161169542 1073985906 /nfs/dbraw/zinc/98/59/06/1073985906.db2.gz CSZORRJWGJJCOV-RVMXOQNASA-N 1 0 381.433 -1.210 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161170055 1073985888 /nfs/dbraw/zinc/98/58/88/1073985888.db2.gz AZJIXHCPRWVNRA-CFVMTHIKSA-N 1 0 392.460 -1.569 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161170057 1073985861 /nfs/dbraw/zinc/98/58/61/1073985861.db2.gz AZJIXHCPRWVNRA-QEJZJMRPSA-N 1 0 392.460 -1.569 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161172830 1073985847 /nfs/dbraw/zinc/98/58/47/1073985847.db2.gz VZWBARKHESOEPC-GFCCVEGCSA-N 1 0 395.420 -3.716 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161172831 1073985993 /nfs/dbraw/zinc/98/59/93/1073985993.db2.gz VZWBARKHESOEPC-LBPRGKRZSA-N 1 0 395.420 -3.716 20 0 GAADRO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161191633 1073985818 /nfs/dbraw/zinc/98/58/18/1073985818.db2.gz IFGYWFONRUWARB-HNNXBMFYSA-N 1 0 380.497 -1.380 20 0 GAADRO O=C(CN1CCNCC1=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197108 1073986523 /nfs/dbraw/zinc/98/65/23/1073986523.db2.gz ZRPQSYJAGNCDMZ-UHFFFAOYSA-N 1 0 381.521 -1.031 20 0 GAADRO CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]1CCC2(C1)OCCO2 ZINC001161217995 1073874460 /nfs/dbraw/zinc/87/44/60/1073874460.db2.gz GNNAKGKOZMAIFW-LLVKDONJSA-N 1 0 385.421 -2.952 20 0 GAADRO CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]1CCC2(C1)OCCO2 ZINC001161218000 1073874288 /nfs/dbraw/zinc/87/42/88/1073874288.db2.gz GNNAKGKOZMAIFW-NSHDSACASA-N 1 0 385.421 -2.952 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234393 1073986461 /nfs/dbraw/zinc/98/64/61/1073986461.db2.gz CPZLGORIUOLMEA-LLVKDONJSA-N 1 0 380.409 -3.251 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234394 1073986271 /nfs/dbraw/zinc/98/62/71/1073986271.db2.gz CPZLGORIUOLMEA-NSHDSACASA-N 1 0 380.409 -3.251 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161235486 1073986583 /nfs/dbraw/zinc/98/65/83/1073986583.db2.gz SPQCZLFCZFQQDY-IHRRRGAJSA-N 1 0 377.449 -1.104 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161235487 1073986528 /nfs/dbraw/zinc/98/65/28/1073986528.db2.gz SPQCZLFCZFQQDY-MJBXVCDLSA-N 1 0 377.449 -1.104 20 0 GAADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238675 1073986345 /nfs/dbraw/zinc/98/63/45/1073986345.db2.gz VKILKAAAMRNOKY-AVGNSLFASA-N 1 0 383.449 -2.244 20 0 GAADRO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238676 1073986480 /nfs/dbraw/zinc/98/64/80/1073986480.db2.gz VKILKAAAMRNOKY-RWMBFGLXSA-N 1 0 383.449 -2.244 20 0 GAADRO COC(=O)[C@@H]1CN(C)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161239330 1073986438 /nfs/dbraw/zinc/98/64/38/1073986438.db2.gz ZASFAHJUHDAYQE-JTQLQIEISA-N 1 0 386.409 -4.391 20 0 GAADRO COC(=O)[C@H]1CN(C)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161239332 1073986540 /nfs/dbraw/zinc/98/65/40/1073986540.db2.gz ZASFAHJUHDAYQE-SNVBAGLBSA-N 1 0 386.409 -4.391 20 0 GAADRO CC1(C)OCCC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001161239451 1073986297 /nfs/dbraw/zinc/98/62/97/1073986297.db2.gz LUSCRYHVWYYOQE-UHFFFAOYSA-N 1 0 397.476 -1.899 20 0 GAADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCN(c2ncncn2)CC1 ZINC001161247236 1073986434 /nfs/dbraw/zinc/98/64/34/1073986434.db2.gz ACJUOMZLSJYNNL-CYBMUJFWSA-N 1 0 380.474 -1.065 20 0 GAADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCN(c2ncncn2)CC1 ZINC001161247237 1073986332 /nfs/dbraw/zinc/98/63/32/1073986332.db2.gz ACJUOMZLSJYNNL-ZDUSSCGKSA-N 1 0 380.474 -1.065 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ncncn2)CC1 ZINC001161247873 1073986512 /nfs/dbraw/zinc/98/65/12/1073986512.db2.gz LXUUCOZZCAFIFY-UHFFFAOYSA-N 1 0 393.408 -4.173 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248044 1073987083 /nfs/dbraw/zinc/98/70/83/1073987083.db2.gz OZYYLSAAMXIXHK-STQMWFEESA-N 1 0 390.448 -2.025 20 0 GAADRO CCS(=O)(=O)NC1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001161264533 1073986950 /nfs/dbraw/zinc/98/69/50/1073986950.db2.gz OTKFNWNBGYVLKD-ONGXEEELSA-N 1 0 377.467 -2.376 20 0 GAADRO CNC(=O)NC1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001161268758 1073987006 /nfs/dbraw/zinc/98/70/06/1073987006.db2.gz KYNBQZGPJCJIJE-AAEUAGOBSA-N 1 0 382.465 -1.639 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269982 1073986996 /nfs/dbraw/zinc/98/69/96/1073986996.db2.gz GHKVMLAMDOYTLO-AAEUAGOBSA-N 1 0 376.479 -1.773 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270146 1073986960 /nfs/dbraw/zinc/98/69/60/1073986960.db2.gz SCMXPBRGECRKCW-UHFFFAOYSA-N 1 0 396.535 -1.377 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270177 1073986966 /nfs/dbraw/zinc/98/69/66/1073986966.db2.gz SPWNJTKHMXYQPJ-UHFFFAOYSA-N 1 0 391.494 -1.761 20 0 GAADRO CC(=O)N[C@@H]1CCCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001161270981 1073986972 /nfs/dbraw/zinc/98/69/72/1073986972.db2.gz SLKBFLSRQLEIKA-PVAVHDDUSA-N 1 0 392.456 -1.134 20 0 GAADRO CN(C)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001161289850 1073987459 /nfs/dbraw/zinc/98/74/59/1073987459.db2.gz VRSNJFZCWIVJDT-LLVKDONJSA-N 1 0 399.452 -3.444 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])CCN1C(C)=O ZINC001161295178 1073987598 /nfs/dbraw/zinc/98/75/98/1073987598.db2.gz HNEXJQULCTXBEW-DRZSPHRISA-N 1 0 384.433 -1.471 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])CCN1C(C)=O ZINC001161295179 1073987482 /nfs/dbraw/zinc/98/74/82/1073987482.db2.gz HNEXJQULCTXBEW-UHTWSYAYSA-N 1 0 384.433 -1.471 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CCN1C(C)=O ZINC001161296152 1073987537 /nfs/dbraw/zinc/98/75/37/1073987537.db2.gz QHZGBUCFLKJNQA-QWHCGFSZSA-N 1 0 386.449 -1.523 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CCN1C(C)=O ZINC001161296154 1073987508 /nfs/dbraw/zinc/98/75/08/1073987508.db2.gz QHZGBUCFLKJNQA-STQMWFEESA-N 1 0 386.449 -1.523 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161296599 1073987520 /nfs/dbraw/zinc/98/75/20/1073987520.db2.gz LCGSCSXJKFTEEQ-UHFFFAOYSA-N 1 0 382.421 -3.435 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])CCN1C(C)=O ZINC001161296887 1073987544 /nfs/dbraw/zinc/98/75/44/1073987544.db2.gz VNYNVXVSJNOWFG-HOTGVXAUSA-N 1 0 390.440 -1.095 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])CCN1C(C)=O ZINC001161296889 1073987576 /nfs/dbraw/zinc/98/75/76/1073987576.db2.gz VNYNVXVSJNOWFG-JKSUJKDBSA-N 1 0 390.440 -1.095 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001161297716 1073987529 /nfs/dbraw/zinc/98/75/29/1073987529.db2.gz ZTRNHKJMDCCSTE-MJBXVCDLSA-N 1 0 396.492 -1.297 20 0 GAADRO COc1cnc(O[C@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)nc1 ZINC001161298321 1073987582 /nfs/dbraw/zinc/98/75/82/1073987582.db2.gz KJJSOVQNBGCOCP-NHCYSSNCSA-N 1 0 380.405 -1.828 20 0 GAADRO COc1cnc(O[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)nc1 ZINC001161298323 1073987564 /nfs/dbraw/zinc/98/75/64/1073987564.db2.gz KJJSOVQNBGCOCP-UMNHJUIQSA-N 1 0 380.405 -1.828 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161298453 1073987588 /nfs/dbraw/zinc/98/75/88/1073987588.db2.gz MHIGTCOCSYXXER-STQMWFEESA-N 1 0 379.461 -1.288 20 0 GAADRO COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2)cc1 ZINC001161303553 1073987489 /nfs/dbraw/zinc/98/74/89/1073987489.db2.gz IPAZXPCALAIBDV-WFASDCNBSA-N 1 0 378.429 -1.196 20 0 GAADRO COc1cc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2)ccn1 ZINC001161305946 1073987548 /nfs/dbraw/zinc/98/75/48/1073987548.db2.gz DEEBRDLVXKUIDH-AAEUAGOBSA-N 1 0 378.433 -1.554 20 0 GAADRO Cc1cc(O[C@H]2CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)ncn1 ZINC001161313556 1073988207 /nfs/dbraw/zinc/98/82/07/1073988207.db2.gz PIQMAKLKMPICBO-AVGNSLFASA-N 1 0 378.433 -1.138 20 0 GAADRO Cc1cc(O[C@@H]2CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)ncn1 ZINC001161313557 1073988270 /nfs/dbraw/zinc/98/82/70/1073988270.db2.gz PIQMAKLKMPICBO-XQQFMLRXSA-N 1 0 378.433 -1.138 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313838 1073988231 /nfs/dbraw/zinc/98/82/31/1073988231.db2.gz YMBGXMLTAGVXFO-CABZTGNLSA-N 1 0 382.396 -1.307 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001161315155 1073988283 /nfs/dbraw/zinc/98/82/83/1073988283.db2.gz AAIZGXQQKRIBME-JSGCOSHPSA-N 1 0 393.488 -1.055 20 0 GAADRO CC(C)N1CC2(CC1=O)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001161359364 1073988302 /nfs/dbraw/zinc/98/83/02/1073988302.db2.gz HXQZABLIBANKAC-STQMWFEESA-N 1 0 381.477 -1.057 20 0 GAADRO COc1ccnc(OC2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2)n1 ZINC001161371147 1073988223 /nfs/dbraw/zinc/98/82/23/1073988223.db2.gz XDCAGYLTUKVAIE-JQWIXIFHSA-N 1 0 394.432 -1.438 20 0 GAADRO COC(=O)[C@]1(C)COCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161373703 1073988191 /nfs/dbraw/zinc/98/81/91/1073988191.db2.gz QQZDNCMDQURACI-HNNXBMFYSA-N 1 0 387.393 -3.916 20 0 GAADRO COC(=O)[C@@]1(C)COCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161373704 1073988217 /nfs/dbraw/zinc/98/82/17/1073988217.db2.gz QQZDNCMDQURACI-OAHLLOKOSA-N 1 0 387.393 -3.916 20 0 GAADRO COC(=O)[C@@]1(C)COCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161374238 1073988318 /nfs/dbraw/zinc/98/83/18/1073988318.db2.gz UYIIJBLMMQRXCE-NVGCLXPQSA-N 1 0 384.433 -1.769 20 0 GAADRO COC(=O)[C@]1(C)COCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161374240 1073988259 /nfs/dbraw/zinc/98/82/59/1073988259.db2.gz UYIIJBLMMQRXCE-PRXAMGSTSA-N 1 0 384.433 -1.769 20 0 GAADRO COc1cc(O[C@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)ccn1 ZINC001161395661 1073988778 /nfs/dbraw/zinc/98/87/78/1073988778.db2.gz WNQNOYFCKULAKM-DRZSPHRISA-N 1 0 379.417 -1.223 20 0 GAADRO COc1cc(O[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)ccn1 ZINC001161395662 1073988718 /nfs/dbraw/zinc/98/87/18/1073988718.db2.gz WNQNOYFCKULAKM-UHTWSYAYSA-N 1 0 379.417 -1.223 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161417512 1073989385 /nfs/dbraw/zinc/98/93/85/1073989385.db2.gz VKABTYXJIYFBEO-UHFFFAOYSA-N 1 0 382.421 -3.435 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161417918 1073989365 /nfs/dbraw/zinc/98/93/65/1073989365.db2.gz ZTPLOLKLQROBEF-STQMWFEESA-N 1 0 379.461 -1.288 20 0 GAADRO CCCCOC(=O)[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001161459717 1073989397 /nfs/dbraw/zinc/98/93/97/1073989397.db2.gz ATZIUGKESRMRTD-GFCCVEGCSA-N 1 0 399.448 -2.515 20 0 GAADRO CCCCOC(=O)[C@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001161459718 1073989322 /nfs/dbraw/zinc/98/93/22/1073989322.db2.gz ATZIUGKESRMRTD-LBPRGKRZSA-N 1 0 399.448 -2.515 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(C1CCC1)C1CCOCC1 ZINC001161460434 1073989342 /nfs/dbraw/zinc/98/93/42/1073989342.db2.gz KEWWLBMRPCRHIW-UHFFFAOYSA-N 1 0 383.449 -2.146 20 0 GAADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)Cn1cnc3c1nc(N)[nH]c3=O)CC2 ZINC001161478034 1073989494 /nfs/dbraw/zinc/98/94/94/1073989494.db2.gz GKJGAXNEXNMEHO-ABKXIKBNSA-N 1 0 375.389 -1.132 20 0 GAADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)Cn1cnc3c1nc(N)[nH]c3=O)CC2 ZINC001161478035 1073989358 /nfs/dbraw/zinc/98/93/58/1073989358.db2.gz GKJGAXNEXNMEHO-FVMDXXJSSA-N 1 0 375.389 -1.132 20 0 GAADRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)Cn1cnc3c1nc(N)[nH]c3=O)CC2 ZINC001161478036 1073989429 /nfs/dbraw/zinc/98/94/29/1073989429.db2.gz GKJGAXNEXNMEHO-JDNHERCYSA-N 1 0 375.389 -1.132 20 0 GAADRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)Cn1cnc3c1nc(N)[nH]c3=O)CC2 ZINC001161478037 1073989380 /nfs/dbraw/zinc/98/93/80/1073989380.db2.gz GKJGAXNEXNMEHO-XXFAHNHDSA-N 1 0 375.389 -1.132 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001161482404 1073990079 /nfs/dbraw/zinc/99/00/79/1073990079.db2.gz HGOAEANPXLPSMG-AJNGGQMLSA-N 1 0 393.488 -1.090 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001161482405 1073990088 /nfs/dbraw/zinc/99/00/88/1073990088.db2.gz HGOAEANPXLPSMG-XGUBFFRZSA-N 1 0 393.488 -1.090 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001161482406 1073990054 /nfs/dbraw/zinc/99/00/54/1073990054.db2.gz HGOAEANPXLPSMG-XQLPTFJDSA-N 1 0 393.488 -1.090 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001161482407 1073990101 /nfs/dbraw/zinc/99/01/01/1073990101.db2.gz HGOAEANPXLPSMG-YJNKXOJESA-N 1 0 393.488 -1.090 20 0 GAADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1cc2c(cn1)NC(=O)C2 ZINC001161484167 1073990149 /nfs/dbraw/zinc/99/01/49/1073990149.db2.gz AFAOGCMXBAQSBA-IYYTYJHQSA-N 1 0 398.383 -1.339 20 0 GAADRO NC(=O)c1ccnc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c1 ZINC001161484357 1073990122 /nfs/dbraw/zinc/99/01/22/1073990122.db2.gz FHSKCBFMKJCAOD-IQJOONFLSA-N 1 0 386.372 -1.735 20 0 GAADRO NC(=O)c1ccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1 ZINC001161484788 1073990006 /nfs/dbraw/zinc/99/00/06/1073990006.db2.gz RHPWKQKDCBZMRV-IQJOONFLSA-N 1 0 386.372 -1.735 20 0 GAADRO NC(=O)c1cccnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161484840 1073990119 /nfs/dbraw/zinc/99/01/19/1073990119.db2.gz UIDNXQZNIZYRLU-IVZWLZJFSA-N 1 0 386.372 -1.735 20 0 GAADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1ccc(F)c[n+]1[O-] ZINC001161485067 1073990185 /nfs/dbraw/zinc/99/01/85/1073990185.db2.gz YATBVALZIRGVTM-IQJOONFLSA-N 1 0 377.336 -1.456 20 0 GAADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1nccc2c1C(=O)NC2 ZINC001161485889 1073990580 /nfs/dbraw/zinc/99/05/80/1073990580.db2.gz RDSQKPIVOIFSDS-IVZWLZJFSA-N 1 0 398.383 -1.590 20 0 GAADRO NC(=O)c1cccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)n1 ZINC001161486015 1073990725 /nfs/dbraw/zinc/99/07/25/1073990725.db2.gz WVTWEKHHEGDHJC-JVUFJMBOSA-N 1 0 386.372 -1.735 20 0 GAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491670 1073990830 /nfs/dbraw/zinc/99/08/30/1073990830.db2.gz HMDMDVYWKBTWOD-XRGAULLZSA-N 1 0 391.424 -1.587 20 0 GAADRO C[C@H]1CN(C2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2)C[C@H](C)O1 ZINC001161498124 1073990866 /nfs/dbraw/zinc/99/08/66/1073990866.db2.gz HVIKKYPWEPDNIQ-RYUDHWBXSA-N 1 0 398.464 -3.386 20 0 GAADRO C[C@@H]1CN(C2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2)C[C@H](C)O1 ZINC001161498126 1073990859 /nfs/dbraw/zinc/99/08/59/1073990859.db2.gz HVIKKYPWEPDNIQ-TXEJJXNPSA-N 1 0 398.464 -3.386 20 0 GAADRO C[C@@H]1CN(C2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2)C[C@@H](C)O1 ZINC001161498127 1073990847 /nfs/dbraw/zinc/99/08/47/1073990847.db2.gz HVIKKYPWEPDNIQ-VXGBXAGGSA-N 1 0 398.464 -3.386 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001161499415 1073990610 /nfs/dbraw/zinc/99/06/10/1073990610.db2.gz OFOBWAWOUREXOW-FQLMCAECSA-N 1 0 395.504 -1.239 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001161499417 1073990637 /nfs/dbraw/zinc/99/06/37/1073990637.db2.gz OFOBWAWOUREXOW-NYTXWWLZSA-N 1 0 395.504 -1.239 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC(N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001161499418 1073990733 /nfs/dbraw/zinc/99/07/33/1073990733.db2.gz OFOBWAWOUREXOW-YXWQFLTLSA-N 1 0 395.504 -1.239 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C[C@H]2C(=O)N(C)C ZINC001161506134 1073990658 /nfs/dbraw/zinc/99/06/58/1073990658.db2.gz AZRVFRFNMPKIKO-KBPBESRZSA-N 1 0 379.461 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-2.288 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C[C@H]2C(=O)N(C)C ZINC001161506601 1073991559 /nfs/dbraw/zinc/99/15/59/1073991559.db2.gz MFWSLKWHAPWEDJ-UONOGXRCSA-N 1 0 379.461 -2.288 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C[C@@H]2C(=O)N(C)C ZINC001161506602 1073991465 /nfs/dbraw/zinc/99/14/65/1073991465.db2.gz MFWSLKWHAPWEDJ-ZIAGYGMSSA-N 1 0 379.461 -2.288 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C[C@@H]2C(=O)N(C)C ZINC001161506669 1073991539 /nfs/dbraw/zinc/99/15/39/1073991539.db2.gz NNYLESZZQYJBQP-CABCVRRESA-N 1 0 376.461 -1.315 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C[C@H]2C(=O)N(C)C ZINC001161506670 1073991302 /nfs/dbraw/zinc/99/13/02/1073991302.db2.gz NNYLESZZQYJBQP-GJZGRUSLSA-N 1 0 376.461 -1.315 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C[C@@H]2C(=O)N(C)C ZINC001161506700 1073991523 /nfs/dbraw/zinc/99/15/23/1073991523.db2.gz OAXXWJSMESPVIU-CABCVRRESA-N 1 0 393.488 -1.279 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C[C@H]2C(=O)N(C)C ZINC001161506701 1073991277 /nfs/dbraw/zinc/99/12/77/1073991277.db2.gz OAXXWJSMESPVIU-GJZGRUSLSA-N 1 0 393.488 -1.279 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@@H]2C(=O)N(C)C ZINC001161507290 1073991843 /nfs/dbraw/zinc/99/18/43/1073991843.db2.gz RWHJHSQMGDDKRE-CHWSQXEVSA-N 1 0 382.465 -1.843 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@H]2C(=O)N(C)C ZINC001161507293 1073991836 /nfs/dbraw/zinc/99/18/36/1073991836.db2.gz RWHJHSQMGDDKRE-QWHCGFSZSA-N 1 0 382.465 -1.843 20 0 GAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161507451 1073991994 /nfs/dbraw/zinc/99/19/94/1073991994.db2.gz TVAPWSYJVQTOCG-BJJXKVORSA-N 1 0 395.504 -1.129 20 0 GAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161507452 1073991940 /nfs/dbraw/zinc/99/19/40/1073991940.db2.gz TVAPWSYJVQTOCG-NOLJZWGESA-N 1 0 395.504 -1.129 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161508423 1073991822 /nfs/dbraw/zinc/99/18/22/1073991822.db2.gz ZRSXOVXMPDFRCQ-CABCVRRESA-N 1 0 395.504 -1.129 20 0 GAADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C[C@H]2C(=O)N(C)C ZINC001161508424 1073992009 /nfs/dbraw/zinc/99/20/09/1073992009.db2.gz ZRSXOVXMPDFRCQ-GJZGRUSLSA-N 1 0 395.504 -1.129 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001161514675 1073991778 /nfs/dbraw/zinc/99/17/78/1073991778.db2.gz QTCUXXXJKAFIKO-UHFFFAOYSA-N 1 0 397.382 -1.843 20 0 GAADRO C[C@@H]1C(=O)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C12CCCC2 ZINC001161517600 1073991912 /nfs/dbraw/zinc/99/19/12/1073991912.db2.gz RVKXNGXBMCUNOO-GFCCVEGCSA-N 1 0 395.460 -1.956 20 0 GAADRO C[C@H]1C(=O)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C12CCCC2 ZINC001161517601 1073991789 /nfs/dbraw/zinc/99/17/89/1073991789.db2.gz RVKXNGXBMCUNOO-LBPRGKRZSA-N 1 0 395.460 -1.956 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCn2ncc(Br)c2C1 ZINC001161526371 1073991805 /nfs/dbraw/zinc/99/18/05/1073991805.db2.gz NEHSVRZSKYPHLG-CBAPKCEASA-N 1 0 387.238 -1.305 20 0 GAADRO COc1cc2c(cn1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001161528001 1073991900 /nfs/dbraw/zinc/99/19/00/1073991900.db2.gz UWFJXSDVDRTUFH-UHFFFAOYSA-N 1 0 392.416 -2.718 20 0 GAADRO CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]1CCc2ccccc21 ZINC001161542678 1073992051 /nfs/dbraw/zinc/99/20/51/1073992051.db2.gz IZCYBPXEQUXWOJ-AWEZNQCLSA-N 1 0 375.429 -1.560 20 0 GAADRO CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]1CCc2ccccc21 ZINC001161542679 1073991969 /nfs/dbraw/zinc/99/19/69/1073991969.db2.gz IZCYBPXEQUXWOJ-CQSZACIVSA-N 1 0 375.429 -1.560 20 0 GAADRO COC(=O)CC[C@H]1COCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161570963 1073991866 /nfs/dbraw/zinc/99/18/66/1073991866.db2.gz NRUUHFXXKTVQOJ-IHRRRGAJSA-N 1 0 398.460 -1.379 20 0 GAADRO 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393.448 -1.376 20 0 GAADRO CS(=O)(=O)c1nc2c(c(N(C3C[NH2+]C3)S(C)(=O)=O)n1)CC[NH2+]CC2 ZINC001166966796 1074006218 /nfs/dbraw/zinc/00/62/18/1074006218.db2.gz IJWYDVDOZPMAIZ-UHFFFAOYSA-N 1 0 375.476 -1.694 20 0 GAADRO CS(=O)(=O)N(c1ncccc1S(=O)(=O)N1CCOCC1)C1C[NH2+]C1 ZINC001166970797 1074006754 /nfs/dbraw/zinc/00/67/54/1074006754.db2.gz VRGXWYQSWZEQPV-UHFFFAOYSA-N 1 0 376.460 -1.160 20 0 GAADRO COc1nc(N(C2C[NH2+]C2)S(C)(=O)=O)nc(N2CCn3ccnc3C2)n1 ZINC001166972765 1074006568 /nfs/dbraw/zinc/00/65/68/1074006568.db2.gz YMXWNLXDQWVCFL-UHFFFAOYSA-N 1 0 380.434 -1.165 20 0 GAADRO COC(=O)c1cnc(N2C[C@@H](O)[C@@H]([NH3+])C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001167090170 1073438658 /nfs/dbraw/zinc/43/86/58/1073438658.db2.gz VDGMNAVXIKOFDZ-NWDGAFQWSA-N 1 0 386.430 -1.603 20 0 GAADRO CS(=O)(=O)c1nc2c(c(N3CCN4C(=O)COC[C@H]4C3)n1)CC[NH2+]CC2 ZINC001167230364 1073453321 /nfs/dbraw/zinc/45/33/21/1073453321.db2.gz TURSWLSQOKRJJU-LLVKDONJSA-N 1 0 381.458 -1.384 20 0 GAADRO CS(=O)(=O)c1nc2c(c(N3CCN4C(=O)COC[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001167230367 1073453489 /nfs/dbraw/zinc/45/34/89/1073453489.db2.gz TURSWLSQOKRJJU-NSHDSACASA-N 1 0 381.458 -1.384 20 0 GAADRO CC[N@H+](C)C[C@H](O)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001167772086 1073891738 /nfs/dbraw/zinc/89/17/38/1073891738.db2.gz FVFBINFQWIIEND-CABCVRRESA-N 1 0 376.523 -1.780 20 0 GAADRO CC[N@H+](C)C[C@H](O)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001167772087 1073891848 /nfs/dbraw/zinc/89/18/48/1073891848.db2.gz FVFBINFQWIIEND-GJZGRUSLSA-N 1 0 376.523 -1.780 20 0 GAADRO CC[N@H+](C)C[C@@H](O)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001167772088 1073891859 /nfs/dbraw/zinc/89/18/59/1073891859.db2.gz FVFBINFQWIIEND-HUUCEWRRSA-N 1 0 376.523 -1.780 20 0 GAADRO CC[N@H+](C)C[C@@H](O)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001167772089 1073891831 /nfs/dbraw/zinc/89/18/31/1073891831.db2.gz FVFBINFQWIIEND-LSDHHAIUSA-N 1 0 376.523 -1.780 20 0 GAADRO COc1cccc(C(=O)N2CCC([NH2+][C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)CC2)c1 ZINC001167856363 1073948093 /nfs/dbraw/zinc/94/80/93/1073948093.db2.gz XJQIFKHFSRDQAP-VDCDIQELSA-N 1 0 396.440 -1.311 20 0 GAADRO COc1cccc(C(=O)N2CCC([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)c1 ZINC001167856364 1073948286 /nfs/dbraw/zinc/94/82/86/1073948286.db2.gz XJQIFKHFSRDQAP-VYIWNADRSA-N 1 0 396.440 -1.311 20 0 GAADRO CC(C)(CO)[NH+]1CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001167997084 1074180669 /nfs/dbraw/zinc/18/06/69/1074180669.db2.gz VGKLECQUPONRPF-UHFFFAOYSA-N 1 0 376.523 -1.085 20 0 GAADRO CS(=O)(=O)N1CCN(c2cccc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)CC1 ZINC001168042255 1074214583 /nfs/dbraw/zinc/21/45/83/1074214583.db2.gz OVIKBCOWHJGFAZ-BHTHQVBYSA-N 1 0 386.474 -1.322 20 0 GAADRO C[C@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CCO1 ZINC001168075330 1074237821 /nfs/dbraw/zinc/23/78/21/1074237821.db2.gz DROGTBRXNWMQMV-BVFGHLIRSA-N 1 0 380.405 -1.507 20 0 GAADRO C[C@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CCO1 ZINC001168075335 1074238015 /nfs/dbraw/zinc/23/80/15/1074238015.db2.gz DROGTBRXNWMQMV-FPXRDHCTSA-N 1 0 380.405 -1.507 20 0 GAADRO C[C@@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CCO1 ZINC001168075336 1074238077 /nfs/dbraw/zinc/23/80/77/1074238077.db2.gz DROGTBRXNWMQMV-NEPWDEGZSA-N 1 0 380.405 -1.507 20 0 GAADRO C[C@@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CCO1 ZINC001168075339 1074238053 /nfs/dbraw/zinc/23/80/53/1074238053.db2.gz DROGTBRXNWMQMV-XVQPFUJLSA-N 1 0 380.405 -1.507 20 0 GAADRO C[NH+](C)C1CCC([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001168304937 1074335944 /nfs/dbraw/zinc/33/59/44/1074335944.db2.gz BQJOVSAURIJVKT-UXGMPZPXSA-N 1 0 384.451 -1.924 20 0 GAADRO C[NH+](C)C1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001168304938 1074335796 /nfs/dbraw/zinc/33/57/96/1074335796.db2.gz BQJOVSAURIJVKT-YOUUSPGSSA-N 1 0 384.451 -1.924 20 0 GAADRO CN(CC[N@H+](C)CCO)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001168339508 1074341594 /nfs/dbraw/zinc/34/15/94/1074341594.db2.gz NEXFQDGFHCBFQM-UHFFFAOYSA-N 1 0 386.430 -1.376 20 0 GAADRO N[C@H]1[C@H](n2ccc(NC3CC[NH+](CC4CC4)CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001168362957 1074396836 /nfs/dbraw/zinc/39/68/36/1074396836.db2.gz NPYKLAISVIDBRE-MWQQHZPXSA-N 1 0 379.461 -1.058 20 0 GAADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2=O)cc1 ZINC001168904648 1074924138 /nfs/dbraw/zinc/92/41/38/1074924138.db2.gz MVVJUGWSCXAMTL-FJXKMDGLSA-N 1 0 396.440 -1.424 20 0 GAADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)CC2=O)cc1 ZINC001168904649 1074924129 /nfs/dbraw/zinc/92/41/29/1074924129.db2.gz MVVJUGWSCXAMTL-RRXXBAPQSA-N 1 0 396.440 -1.424 20 0 GAADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)CC2=O)cc1 ZINC001168904650 1074924236 /nfs/dbraw/zinc/92/42/36/1074924236.db2.gz MVVJUGWSCXAMTL-SGVRORHPSA-N 1 0 396.440 -1.424 20 0 GAADRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2=O)cc1 ZINC001168904651 1074924194 /nfs/dbraw/zinc/92/41/94/1074924194.db2.gz MVVJUGWSCXAMTL-YFMJYDCTSA-N 1 0 396.440 -1.424 20 0 GAADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C(C(N)=O)C(N)=O ZINC001169167306 1074924540 /nfs/dbraw/zinc/92/45/40/1074924540.db2.gz FZYVIGWHZJLLOT-SECBINFHSA-N 1 0 379.421 -2.079 20 0 GAADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C(C(N)=O)C(N)=O ZINC001169167308 1074924650 /nfs/dbraw/zinc/92/46/50/1074924650.db2.gz FZYVIGWHZJLLOT-VIFPVBQESA-N 1 0 379.421 -2.079 20 0 GAADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NS(=O)(=O)CC[NH3+] ZINC001169170506 1074924554 /nfs/dbraw/zinc/92/45/54/1074924554.db2.gz WMYFWHZBVOURTN-LLVKDONJSA-N 1 0 386.478 -1.129 20 0 GAADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NS(=O)(=O)CC[NH3+] ZINC001169170507 1074924512 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CQVRWNMYIXFQFM-LLVKDONJSA-N 1 0 393.448 -1.816 20 0 GAADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC(=O)NCC(N)=O ZINC001169194705 1074924523 /nfs/dbraw/zinc/92/45/23/1074924523.db2.gz CQVRWNMYIXFQFM-NSHDSACASA-N 1 0 393.448 -1.816 20 0 GAADRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CO1 ZINC001169351530 1074924626 /nfs/dbraw/zinc/92/46/26/1074924626.db2.gz ZVRSUDGUJRODMN-MRIXOBAXSA-N 1 0 399.400 -1.732 20 0 GAADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CO1 ZINC001169351531 1074924842 /nfs/dbraw/zinc/92/48/42/1074924842.db2.gz ZVRSUDGUJRODMN-NNKNWFAJSA-N 1 0 399.400 -1.732 20 0 GAADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CO1 ZINC001169351532 1074924817 /nfs/dbraw/zinc/92/48/17/1074924817.db2.gz ZVRSUDGUJRODMN-PAUVFPHUSA-N 1 0 399.400 -1.732 20 0 GAADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CO1 ZINC001169351533 1074924910 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ZINC001169518927 1074925790 /nfs/dbraw/zinc/92/57/90/1074925790.db2.gz CINTXSBJUABCGR-WRWGMCAJSA-N 1 0 377.405 -1.424 20 0 GAADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001169531500 1074925770 /nfs/dbraw/zinc/92/57/70/1074925770.db2.gz GMPSQEGYTBPMKY-OFIKQIQMSA-N 1 0 392.456 -1.135 20 0 GAADRO CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1 ZINC001169531518 1074925904 /nfs/dbraw/zinc/92/59/04/1074925904.db2.gz GMPSQEGYTBPMKY-UMPQAUOISA-N 1 0 392.456 -1.135 20 0 GAADRO CC(=O)N1CC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001169534034 1074925746 /nfs/dbraw/zinc/92/57/46/1074925746.db2.gz KSMLERIZZDCTIV-QTKMUVPMSA-N 1 0 377.405 -1.762 20 0 GAADRO CC(=O)N1CC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001169534035 1074926194 /nfs/dbraw/zinc/92/61/94/1074926194.db2.gz KSMLERIZZDCTIV-YXUMDAIYSA-N 1 0 377.405 -1.762 20 0 GAADRO CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001169534663 1074926188 /nfs/dbraw/zinc/92/61/88/1074926188.db2.gz OCHVGFGHEFZYCJ-BPUTZDHNSA-N 1 0 378.429 -1.524 20 0 GAADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001169534664 1074926241 /nfs/dbraw/zinc/92/62/41/1074926241.db2.gz OCHVGFGHEFZYCJ-KBMXLJTQSA-N 1 0 378.429 -1.524 20 0 GAADRO CC(=O)N1CCC[C@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001169578321 1074926232 /nfs/dbraw/zinc/92/62/32/1074926232.db2.gz ZCDLCKZINKBGMK-GCXGIZPZSA-N 1 0 391.432 -1.372 20 0 GAADRO CC(=O)N1CCC[C@@H]([NH2+][C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]2O)C1 ZINC001169578344 1074926143 /nfs/dbraw/zinc/92/61/43/1074926143.db2.gz ZCDLCKZINKBGMK-JZLXNPJKSA-N 1 0 391.432 -1.372 20 0 GAADRO CC(=O)N1CCC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001169589297 1074926240 /nfs/dbraw/zinc/92/62/40/1074926240.db2.gz OICVSOLKBDTMPN-WUHRBBMRSA-N 1 0 391.432 -1.034 20 0 GAADRO CC(=O)N1CCC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001169589309 1074926183 /nfs/dbraw/zinc/92/61/83/1074926183.db2.gz OICVSOLKBDTMPN-YVECIDJPSA-N 1 0 391.432 -1.034 20 0 GAADRO CC(=O)N1CCC[C@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001169594081 1074926235 /nfs/dbraw/zinc/92/62/35/1074926235.db2.gz JYOOVTCLTTUBNE-GCXGIZPZSA-N 1 0 391.432 -1.372 20 0 GAADRO CC(=O)N1CCC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001169594084 1074926157 /nfs/dbraw/zinc/92/61/57/1074926157.db2.gz JYOOVTCLTTUBNE-JZLXNPJKSA-N 1 0 391.432 -1.372 20 0 GAADRO CC(=O)N1CCC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001169598194 1074926166 /nfs/dbraw/zinc/92/61/66/1074926166.db2.gz VCYHDUJLBVBEGE-PVAVHDDUSA-N 1 0 392.456 -1.134 20 0 GAADRO CC(=O)N1CCC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001169598195 1074926218 /nfs/dbraw/zinc/92/62/18/1074926218.db2.gz VCYHDUJLBVBEGE-XIRDDKMYSA-N 1 0 392.456 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O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH2+][C@H]2CCCC3(C2)OCCO3)c(=O)[nH]1 ZINC001169917988 1074926851 /nfs/dbraw/zinc/92/68/51/1074926851.db2.gz YKEYCNVEVDRPHS-PWRGDLIESA-N 1 0 383.401 -1.157 20 0 GAADRO C[NH+]1CCC(COc2cnc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc2)CC1 ZINC001169972120 1074988154 /nfs/dbraw/zinc/98/81/54/1074988154.db2.gz RFTOPHCERVLFEL-OXGONZEZSA-N 1 0 384.433 -1.591 20 0 GAADRO C[NH+]1CCC(COc2cnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)nc2)CC1 ZINC001169972122 1074988209 /nfs/dbraw/zinc/98/82/09/1074988209.db2.gz RFTOPHCERVLFEL-QCODTGAPSA-N 1 0 384.433 -1.591 20 0 GAADRO COCOc1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1/C=C/[NH+](C)C ZINC001169972381 1074988460 /nfs/dbraw/zinc/98/84/60/1074988460.db2.gz TZPSSAPFXDKWGD-HTOSLNICSA-N 1 0 385.417 -1.192 20 0 GAADRO COCOc1cnc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/[NH+](C)C ZINC001169972382 1074988487 /nfs/dbraw/zinc/98/84/87/1074988487.db2.gz TZPSSAPFXDKWGD-RCOSXGEKSA-N 1 0 385.417 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1075036529 /nfs/dbraw/zinc/03/65/29/1075036529.db2.gz RAANIEQEUZSAPD-ZDUSSCGKSA-N 1 0 388.432 -1.467 20 0 GAADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1nccnc1N1CC[NH2+]CC1)C(=O)[O-] ZINC001170688103 1075037230 /nfs/dbraw/zinc/03/72/30/1075037230.db2.gz SKFIUDZKZMOKAS-ZDUSSCGKSA-N 1 0 388.432 -1.467 20 0 GAADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1)C(=O)[O-] ZINC001170690843 1075037196 /nfs/dbraw/zinc/03/71/96/1075037196.db2.gz AULSFKDHEVGKHV-KBPBESRZSA-N 1 0 389.416 -1.136 20 0 GAADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1)C(=O)[O-] ZINC001170690844 1075037100 /nfs/dbraw/zinc/03/71/00/1075037100.db2.gz AULSFKDHEVGKHV-KGLIPLIRSA-N 1 0 389.416 -1.136 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CCCOCC1 ZINC001170774452 1075039979 /nfs/dbraw/zinc/03/99/79/1075039979.db2.gz AJZRPEKOLIYQKB-QCYOOCKDSA-N 1 0 380.405 -1.505 20 0 GAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CCCOCC1 ZINC001170774457 1075040114 /nfs/dbraw/zinc/04/01/14/1075040114.db2.gz AJZRPEKOLIYQKB-WLBJOZJFSA-N 1 0 380.405 -1.505 20 0 GAADRO COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001170815431 1075041758 /nfs/dbraw/zinc/04/17/58/1075041758.db2.gz MSSKOWNEPZRPRF-CHWSQXEVSA-N 1 0 389.474 -1.415 20 0 GAADRO COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001170815432 1075041770 /nfs/dbraw/zinc/04/17/70/1075041770.db2.gz MSSKOWNEPZRPRF-OLZOCXBDSA-N 1 0 389.474 -1.415 20 0 GAADRO COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001170815433 1075041615 /nfs/dbraw/zinc/04/16/15/1075041615.db2.gz MSSKOWNEPZRPRF-QWHCGFSZSA-N 1 0 389.474 -1.415 20 0 GAADRO COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001170815434 1075041782 /nfs/dbraw/zinc/04/17/82/1075041782.db2.gz MSSKOWNEPZRPRF-STQMWFEESA-N 1 0 389.474 -1.415 20 0 GAADRO COC(=O)CNC(=O)CNc1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC001170947652 1075047742 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URIAYFWBMRKMTA-UHFFFAOYSA-N 1 0 385.446 -1.287 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ncnc2sccc21 ZINC001218514612 1074020278 /nfs/dbraw/zinc/02/02/78/1074020278.db2.gz BZZPZBKYPPHPKR-UHFFFAOYSA-N 1 0 379.402 -2.063 20 0 GAADRO Cc1nc2sccc2c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001218516712 1074020289 /nfs/dbraw/zinc/02/02/89/1074020289.db2.gz DAPXGCITCKPGCN-UHFFFAOYSA-N 1 0 393.429 -1.754 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1nc(C(F)(F)F)cs1 ZINC001218517962 1074020211 /nfs/dbraw/zinc/02/02/11/1074020211.db2.gz LNPQZMUOBSMXKT-UHFFFAOYSA-N 1 0 396.351 -1.592 20 0 GAADRO COc1nc(Cl)cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001218519219 1074020254 /nfs/dbraw/zinc/02/02/54/1074020254.db2.gz SNHZMPUCYVRMKR-UHFFFAOYSA-N 1 0 387.784 -2.616 20 0 GAADRO CC(C)(C)Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])on1 ZINC001218520479 1074020368 /nfs/dbraw/zinc/02/03/68/1074020368.db2.gz PJKVKFLLFAZOGD-UHFFFAOYSA-N 1 0 382.421 -1.491 20 0 GAADRO COC(=O)c1nc(Br)cnc1NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001218524018 1074020408 /nfs/dbraw/zinc/02/04/08/1074020408.db2.gz HVJFMMXPBTVLBK-WDSKDSINSA-N 1 0 390.194 -1.212 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1nnc(-c2ccco2)o1 ZINC001218525954 1074020232 /nfs/dbraw/zinc/02/02/32/1074020232.db2.gz LRPJVSILLXRUBB-UHFFFAOYSA-N 1 0 379.333 -2.425 20 0 GAADRO Cc1cc2ncc(C)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2n1 ZINC001218526312 1074020426 /nfs/dbraw/zinc/02/04/26/1074020426.db2.gz UFDAUTDZZGAMGP-UHFFFAOYSA-N 1 0 390.404 -2.408 20 0 GAADRO Cc1ccc2nc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])sc2c1 ZINC001218526969 1074020385 /nfs/dbraw/zinc/02/03/85/1074020385.db2.gz ZGSAAZMXMTVLRX-UHFFFAOYSA-N 1 0 392.441 -1.149 20 0 GAADRO Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2ncnc2n1 ZINC001218527089 1074020302 /nfs/dbraw/zinc/02/03/02/1074020302.db2.gz DWVLHUYPUPOCPN-UHFFFAOYSA-N 1 0 377.365 -3.321 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ncc(C(F)(F)F)cn1 ZINC001218530397 1074020183 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1 0 378.437 -2.126 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ncccc1-c1ccccc1 ZINC001218583168 1074021213 /nfs/dbraw/zinc/02/12/13/1074021213.db2.gz NJSYPANHZBSGEX-UHFFFAOYSA-N 1 0 398.423 -1.006 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cnc(C(F)(F)F)nc1 ZINC001218585689 1074021264 /nfs/dbraw/zinc/02/12/64/1074021264.db2.gz XFADPQVPHNRGHF-UHFFFAOYSA-N 1 0 391.310 -2.259 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)Nc1c(N)c(=O)c1=O ZINC001218586376 1074021400 /nfs/dbraw/zinc/02/14/00/1074021400.db2.gz BMVCBMXGQWLTDS-DCAQKATOSA-N 1 0 393.444 -1.328 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1c(N)c(=O)c1=O ZINC001218587747 1074021290 /nfs/dbraw/zinc/02/12/90/1074021290.db2.gz MZYRKAXHPGVVKI-UWVGGRQHSA-N 1 0 379.417 -1.798 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cnn(C2CCOCC2)c1 ZINC001218589379 1074021448 /nfs/dbraw/zinc/02/14/48/1074021448.db2.gz ZEBTZYSTLSGPQP-UHFFFAOYSA-N 1 0 395.420 -2.520 20 0 GAADRO Cc1nc2ccccn2c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218589626 1074021541 /nfs/dbraw/zinc/02/15/41/1074021541.db2.gz CJVZRIBPBRUWEZ-UHFFFAOYSA-N 1 0 375.389 -2.111 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cncc(C(F)(F)F)n1 ZINC001218592985 1074021495 /nfs/dbraw/zinc/02/14/95/1074021495.db2.gz LJCSXJFZBLDOTD-UHFFFAOYSA-N 1 0 391.310 -2.259 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc2ccccc2oc1=O ZINC001218595389 1074021346 /nfs/dbraw/zinc/02/13/46/1074021346.db2.gz RUNNSSZDFULFOS-UHFFFAOYSA-N 1 0 389.368 -1.961 20 0 GAADRO COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001218596286 1074021195 /nfs/dbraw/zinc/02/11/95/1074021195.db2.gz GNQLPZUYCCKNGM-UHFFFAOYSA-N 1 0 376.391 -1.253 20 0 GAADRO COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218596896 1074021471 /nfs/dbraw/zinc/02/14/71/1074021471.db2.gz OKFOUZZIZKWACR-XPUUQOCRSA-N 1 0 383.361 -1.766 20 0 GAADRO Cn1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(C(F)(F)F)n1 ZINC001218599441 1074021374 /nfs/dbraw/zinc/02/13/74/1074021374.db2.gz XRQFFBNLSYPMOZ-UHFFFAOYSA-N 1 0 393.326 -2.315 20 0 GAADRO CCOc1ncc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1F ZINC001218600157 1074021513 /nfs/dbraw/zinc/02/15/13/1074021513.db2.gz IWPGFBSSHRHNTF-UHFFFAOYSA-N 1 0 384.368 -2.135 20 0 GAADRO C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001218603101 1074021989 /nfs/dbraw/zinc/02/19/89/1074021989.db2.gz USAOZEANEXOUEK-ZETCQYMHSA-N 1 0 377.427 -1.592 20 0 GAADRO Cn1nc(C(C)(C)C)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218605792 1074021766 /nfs/dbraw/zinc/02/17/66/1074021766.db2.gz KJHQXGOEQBCBJA-UHFFFAOYSA-N 1 0 381.437 -2.037 20 0 GAADRO COC(=O)Cn1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn1 ZINC001218609962 1074021709 /nfs/dbraw/zinc/02/17/09/1074021709.db2.gz LTCVEOONFJWHRQ-UHFFFAOYSA-N 1 0 383.365 -3.698 20 0 GAADRO CC(=O)Nc1cc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])ncn1 ZINC001218611076 1074021894 /nfs/dbraw/zinc/02/18/94/1074021894.db2.gz URUPCRMCAXNSGT-ONGXEEELSA-N 1 0 377.405 -1.172 20 0 GAADRO COC(=O)Cn1cc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])cn1 ZINC001218611368 1074021791 /nfs/dbraw/zinc/02/17/91/1074021791.db2.gz WGMUDWBPRGVPEK-JQWIXIFHSA-N 1 0 380.405 -1.551 20 0 GAADRO COC(=O)c1c[nH]c2ncc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc12 ZINC001218614524 1074021752 /nfs/dbraw/zinc/02/17/52/1074021752.db2.gz YQFCPWBTRWCUCN-CPCISQLKSA-N 1 0 376.373 -1.005 20 0 GAADRO Cn1ncc2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cnc21 ZINC001218615600 1074022004 /nfs/dbraw/zinc/02/20/04/1074022004.db2.gz OVHYKIYISYSSGY-UHFFFAOYSA-N 1 0 376.377 -2.786 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cnn2ccc(Cl)nc12 ZINC001218616652 1074021854 /nfs/dbraw/zinc/02/18/54/1074021854.db2.gz XYBRGIPJSNNKED-UHFFFAOYSA-N 1 0 396.795 -2.372 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccnc1OC1COC1 ZINC001218618401 1074022244 /nfs/dbraw/zinc/02/22/44/1074022244.db2.gz QFDUBXKPVLACRI-UHFFFAOYSA-N 1 0 394.388 -2.895 20 0 GAADRO C[C@H](NC(=O)[C@@H](N)CO)C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218620359 1074022260 /nfs/dbraw/zinc/02/22/60/1074022260.db2.gz PWKCAPTXPINLCN-JSGCOSHPSA-N 1 0 380.449 -2.232 20 0 GAADRO Cc1nc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc(N2CCOCC2)n1 ZINC001218620700 1074022470 /nfs/dbraw/zinc/02/24/70/1074022470.db2.gz QQRSDWGLMWMUFN-ONGXEEELSA-N 1 0 379.421 -1.732 20 0 GAADRO COC(=O)c1scnc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218623770 1074022180 /nfs/dbraw/zinc/02/21/80/1074022180.db2.gz RWFRJAPIZKTPOW-UHFFFAOYSA-N 1 0 386.390 -2.825 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(-c2ccncc2)no1 ZINC001218625797 1074022576 /nfs/dbraw/zinc/02/25/76/1074022576.db2.gz BGLFHXNEHQKFGQ-UHFFFAOYSA-N 1 0 389.372 -2.018 20 0 GAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnn(C)n1)C(=O)CF ZINC001218626327 1074022306 /nfs/dbraw/zinc/02/23/06/1074022306.db2.gz LOEQLKSBGCOBKR-BHDSKKPTSA-N 1 0 399.427 -1.345 20 0 GAADRO Cc1cc(C)n2nc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2n1 ZINC001218627498 1074022229 /nfs/dbraw/zinc/02/22/29/1074022229.db2.gz FDZRGFCQWCYUMQ-UHFFFAOYSA-N 1 0 390.404 -2.408 20 0 GAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cn(C)nn1)C(=O)CF ZINC001218628386 1074022872 /nfs/dbraw/zinc/02/28/72/1074022872.db2.gz GSIRXVGPFDRUPA-BHDSKKPTSA-N 1 0 399.427 -1.345 20 0 GAADRO COC(=O)c1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn1C ZINC001218631263 1074022705 /nfs/dbraw/zinc/02/27/05/1074022705.db2.gz IBZMTDVYBZHNKY-UHFFFAOYSA-N 1 0 382.377 -2.943 20 0 GAADRO COc1nc(Cl)ncc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218634372 1074022996 /nfs/dbraw/zinc/02/29/96/1074022996.db2.gz LEYOXDHDTVFICE-UHFFFAOYSA-N 1 0 387.784 -2.616 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1csc2cnccc12 ZINC001218634623 1074022769 /nfs/dbraw/zinc/02/27/69/1074022769.db2.gz HSHDOMLBIHOYNK-UHFFFAOYSA-N 1 0 378.414 -1.458 20 0 GAADRO COC(=O)c1onc(C)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218636048 1074022835 /nfs/dbraw/zinc/02/28/35/1074022835.db2.gz MNPWKNDZUHOLJE-UHFFFAOYSA-N 1 0 384.349 -2.985 20 0 GAADRO CCOC(=O)c1cc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])n(C)n1 ZINC001218636846 1074022797 /nfs/dbraw/zinc/02/27/97/1074022797.db2.gz KIMPXFMDNIPVHM-JQWIXIFHSA-N 1 0 394.432 -1.010 20 0 GAADRO CCOC(=O)c1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n(C)n1 ZINC001218637447 1074022750 /nfs/dbraw/zinc/02/27/50/1074022750.db2.gz WZAUEVZULQXTFT-UHFFFAOYSA-N 1 0 397.392 -3.157 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(-c2ccccn2)no1 ZINC001218638763 1074022895 /nfs/dbraw/zinc/02/28/95/1074022895.db2.gz SVQIMEGNJABKQV-UHFFFAOYSA-N 1 0 389.372 -2.018 20 0 GAADRO CSc1[nH]nc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])c1C(N)=O ZINC001218638775 1074022922 /nfs/dbraw/zinc/02/29/22/1074022922.db2.gz UACPLOOCPRAPQX-YUMQZZPRSA-N 1 0 397.461 -1.377 20 0 GAADRO COC(=O)c1n[nH]c(C)c1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218639438 1074023430 /nfs/dbraw/zinc/02/34/30/1074023430.db2.gz FDBUTNUGWVTTRE-UWVGGRQHSA-N 1 0 380.405 -1.102 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC001218644053 1074023392 /nfs/dbraw/zinc/02/33/92/1074023392.db2.gz RYMPOYMEBFARGR-ATZCPNFKSA-N 1 0 390.404 -1.219 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001218644055 1074023445 /nfs/dbraw/zinc/02/34/45/1074023445.db2.gz RYMPOYMEBFARGR-QXEWZRGKSA-N 1 0 390.404 -1.219 20 0 GAADRO CCOC(=O)c1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001218647892 1074023180 /nfs/dbraw/zinc/02/31/80/1074023180.db2.gz OJWSHWMGPCPEHM-UHFFFAOYSA-N 1 0 394.388 -2.496 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1nsc2ncccc12 ZINC001218651558 1074023294 /nfs/dbraw/zinc/02/32/94/1074023294.db2.gz NFVITISFZHZJDT-UHFFFAOYSA-N 1 0 379.402 -2.063 20 0 GAADRO COc1ncnc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1OC ZINC001218652732 1074023162 /nfs/dbraw/zinc/02/31/62/1074023162.db2.gz IMGYPARFODHMAJ-UHFFFAOYSA-N 1 0 383.365 -3.260 20 0 GAADRO COc1ncnc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])c1OC ZINC001218653186 1074023262 /nfs/dbraw/zinc/02/32/62/1074023262.db2.gz PNBFVMQECFVOOL-UWVGGRQHSA-N 1 0 380.405 -1.113 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc(Cl)c(Cl)nc1CO ZINC001218653898 1074023366 /nfs/dbraw/zinc/02/33/66/1074023366.db2.gz DEVLBFAVBACLQE-WHFBIAKZSA-N 1 0 379.204 -1.078 20 0 GAADRO COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001218662377 1074023231 /nfs/dbraw/zinc/02/32/31/1074023231.db2.gz WRNSTTATOWDTMU-JQWIXIFHSA-N 1 0 390.400 -1.124 20 0 GAADRO COC(=O)c1c(C)scc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218668128 1074023535 /nfs/dbraw/zinc/02/35/35/1074023535.db2.gz WCLUVJPAKGQQRG-UHFFFAOYSA-N 1 0 399.429 -1.911 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218668731 1074023471 /nfs/dbraw/zinc/02/34/71/1074023471.db2.gz HGOZMQWCASLDPE-AAEUAGOBSA-N 1 0 381.437 -2.139 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218670227 1074023330 /nfs/dbraw/zinc/02/33/30/1074023330.db2.gz BIYPIDUXTVJHDH-BQBZGAKWSA-N 1 0 381.349 -1.321 20 0 GAADRO COC(=O)c1cc2cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c[nH]c-2n1 ZINC001218670772 1074023801 /nfs/dbraw/zinc/02/38/01/1074023801.db2.gz LHJVDBZCZPYMLG-XVKPBYJWSA-N 1 0 376.373 -1.005 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cncc(-c2ccccc2)c1 ZINC001218671748 1074023786 /nfs/dbraw/zinc/02/37/86/1074023786.db2.gz RKCQIGOPQSIOJS-UHFFFAOYSA-N 1 0 398.423 -1.006 20 0 GAADRO COc1nc(Cl)ccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218678527 1074023987 /nfs/dbraw/zinc/02/39/87/1074023987.db2.gz ZWSQVSMKVHVGOM-UHFFFAOYSA-N 1 0 386.796 -2.011 20 0 GAADRO CCOC(=O)c1ncncc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218678874 1074023830 /nfs/dbraw/zinc/02/38/30/1074023830.db2.gz NKCIMWWHRUUGQE-UHFFFAOYSA-N 1 0 395.376 -3.101 20 0 GAADRO CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1nc(Cl)ccc1N ZINC001218683735 1074023966 /nfs/dbraw/zinc/02/39/66/1074023966.db2.gz VXQCFAZZXHCMPQ-UHFFFAOYSA-N 1 0 385.812 -2.413 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncccc1CN1CCOCC1 ZINC001218698308 1074024058 /nfs/dbraw/zinc/02/40/58/1074024058.db2.gz ICJNNPRHGFFRRQ-AAEUAGOBSA-N 1 0 378.433 -1.440 20 0 GAADRO Cc1nnc2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccn12 ZINC001218699560 1074023771 /nfs/dbraw/zinc/02/37/71/1074023771.db2.gz MFHUIFMBXZSXRZ-UHFFFAOYSA-N 1 0 376.377 -2.716 20 0 GAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnnn1C)C(=O)CF ZINC001218700325 1074023720 /nfs/dbraw/zinc/02/37/20/1074023720.db2.gz OWBHBUSHMYGFRD-BHDSKKPTSA-N 1 0 399.427 -1.345 20 0 GAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001218702345 1074023918 /nfs/dbraw/zinc/02/39/18/1074023918.db2.gz OGYCHCAFLHUXDY-GARJFASQSA-N 1 0 377.405 -1.332 20 0 GAADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001218703098 1074023898 /nfs/dbraw/zinc/02/38/98/1074023898.db2.gz AUTYJRPUKMWOQS-ONGXEEELSA-N 1 0 394.436 -1.609 20 0 GAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001218703214 1074024073 /nfs/dbraw/zinc/02/40/73/1074024073.db2.gz BXGSMXVALRPFLL-GFCCVEGCSA-N 1 0 386.416 -1.092 20 0 GAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001218703221 1074023868 /nfs/dbraw/zinc/02/38/68/1074023868.db2.gz BXGSMXVALRPFLL-LBPRGKRZSA-N 1 0 386.416 -1.092 20 0 GAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218703827 1074023929 /nfs/dbraw/zinc/02/39/29/1074023929.db2.gz IRJGMWWSQLVFQI-VIFPVBQESA-N 1 0 378.393 -2.149 20 0 GAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001218703860 1074024377 /nfs/dbraw/zinc/02/43/77/1074024377.db2.gz JJVSSSSVEZRKRA-ILDUYXDCSA-N 1 0 379.421 -1.221 20 0 GAADRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001218703949 1074024290 /nfs/dbraw/zinc/02/42/90/1074024290.db2.gz KBZWXBOSJCKOCV-NSHDSACASA-N 1 0 394.436 -1.465 20 0 GAADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001218704225 1074024315 /nfs/dbraw/zinc/02/43/15/1074024315.db2.gz NEHDVTKBJUFXEI-JTQLQIEISA-N 1 0 392.420 -1.759 20 0 GAADRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001218704385 1074024592 /nfs/dbraw/zinc/02/45/92/1074024592.db2.gz PYRSRXPNQSHJHV-JTQLQIEISA-N 1 0 394.436 -1.609 20 0 GAADRO CCOC(=O)c1nc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn1C ZINC001218706696 1074024573 /nfs/dbraw/zinc/02/45/73/1074024573.db2.gz LDEZNQXTGUSDBI-UHFFFAOYSA-N 1 0 397.392 -3.157 20 0 GAADRO CCOC(=O)c1nc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])cn1C ZINC001218707102 1074024544 /nfs/dbraw/zinc/02/45/44/1074024544.db2.gz MIEPURWHLHNXMS-QWRGUYRKSA-N 1 0 394.432 -1.010 20 0 GAADRO CCOc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc(C(=O)OC)n1 ZINC001218716983 1074024500 /nfs/dbraw/zinc/02/45/00/1074024500.db2.gz LIAGGCDCFBIODS-WPRPVWTQSA-N 1 0 381.389 -1.087 20 0 GAADRO COc1cnc(Cl)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001218721527 1074024397 /nfs/dbraw/zinc/02/43/97/1074024397.db2.gz YPCQCQWNKRTYST-UHFFFAOYSA-N 1 0 387.784 -2.616 20 0 GAADRO Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n(C2CCC2)n1 ZINC001218727724 1074024435 /nfs/dbraw/zinc/02/44/35/1074024435.db2.gz BWHDMGDSPJTCQR-UHFFFAOYSA-N 1 0 379.421 -1.838 20 0 GAADRO CCc1cc2ncc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn2n1 ZINC001218734424 1074024518 /nfs/dbraw/zinc/02/45/18/1074024518.db2.gz VKSCXASQLMROKX-UHFFFAOYSA-N 1 0 390.404 -2.463 20 0 GAADRO CC(=O)N1CCC(n2nccc2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001218735767 1074024335 /nfs/dbraw/zinc/02/43/35/1074024335.db2.gz RGJLTMYNTSRMLU-GWCFXTLKSA-N 1 0 393.448 -1.288 20 0 GAADRO Cc1cccc2ncc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n21 ZINC001218738597 1074024273 /nfs/dbraw/zinc/02/42/73/1074024273.db2.gz ZCMZPFQQQCGEDY-UHFFFAOYSA-N 1 0 375.389 -2.111 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cn2c(cccc2Cl)n1 ZINC001218738633 1074024299 /nfs/dbraw/zinc/02/42/99/1074024299.db2.gz MLSQWVRSTLVOQI-UHFFFAOYSA-N 1 0 395.807 -1.767 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(C2CCC2)nc1 ZINC001218739182 1074024249 /nfs/dbraw/zinc/02/42/49/1074024249.db2.gz XSIFYHFZXCQZON-UHFFFAOYSA-N 1 0 376.417 -1.405 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CC(F)(F)F)c1ncc(N)cn1 ZINC001218739324 1074024419 /nfs/dbraw/zinc/02/44/19/1074024419.db2.gz BCOJABIHIUSTNV-XPUUQOCRSA-N 1 0 377.327 -1.339 20 0 GAADRO CCN=c1ncc(N)cn1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001218740298 1074024483 /nfs/dbraw/zinc/02/44/83/1074024483.db2.gz YNYFBFYOLZXDFA-GJZGRUSLSA-N 1 0 388.428 -1.221 20 0 GAADRO CCN(C)c1ncc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn1 ZINC001218741184 1074025137 /nfs/dbraw/zinc/02/51/37/1074025137.db2.gz UFELHKZGHHVBJO-UHFFFAOYSA-N 1 0 380.409 -2.822 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccnn1-c1ccncc1 ZINC001218741448 1074024825 /nfs/dbraw/zinc/02/48/25/1074024825.db2.gz ONYKPIIUXHTDND-UHFFFAOYSA-N 1 0 388.388 -2.487 20 0 GAADRO CN=c1c(N)cc(Cl)nn1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218743215 1074024768 /nfs/dbraw/zinc/02/47/68/1074024768.db2.gz PSCVSXPSFVAZLN-WPRPVWTQSA-N 1 0 383.840 -1.256 20 0 GAADRO CN=c1c(N)cc(Cl)nn1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218743615 1074024935 /nfs/dbraw/zinc/02/49/35/1074024935.db2.gz VHRWYLYLWSUOMM-UHFFFAOYSA-N 1 0 386.800 -3.403 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(Cl)nc2ccnn21 ZINC001218744728 1074024895 /nfs/dbraw/zinc/02/48/95/1074024895.db2.gz BAPSOGPELCWQPA-UHFFFAOYSA-N 1 0 396.795 -2.372 20 0 GAADRO CC1(C)COc2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nn2C1 ZINC001218747471 1074025069 /nfs/dbraw/zinc/02/50/69/1074025069.db2.gz ZVPOWWQZUXPKEI-UHFFFAOYSA-N 1 0 395.420 -2.453 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218751265 1074025042 /nfs/dbraw/zinc/02/50/42/1074025042.db2.gz UHGNDASPEAQWHU-CABZTGNLSA-N 1 0 398.445 -1.878 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccnn1CC(F)(F)F ZINC001218752953 1074025001 /nfs/dbraw/zinc/02/50/01/1074025001.db2.gz ZYKKJWCNFCLWEJ-UHFFFAOYSA-N 1 0 393.326 -2.309 20 0 GAADRO COc1cc(Cl)ncc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218757181 1074024956 /nfs/dbraw/zinc/02/49/56/1074024956.db2.gz NSKROQLJIWVWJU-UHFFFAOYSA-N 1 0 386.796 -2.011 20 0 GAADRO CCOC(=O)c1ncc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn1 ZINC001218757622 1074025092 /nfs/dbraw/zinc/02/50/92/1074025092.db2.gz TVIGZTSUPRFNPC-UHFFFAOYSA-N 1 0 395.376 -3.101 20 0 GAADRO COc1cc(OC)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cn1 ZINC001218759281 1074025023 /nfs/dbraw/zinc/02/50/23/1074025023.db2.gz HARSKSSHDXVTKG-UHFFFAOYSA-N 1 0 382.377 -2.655 20 0 GAADRO Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cnc1OC(C)C ZINC001218759392 1074024976 /nfs/dbraw/zinc/02/49/76/1074024976.db2.gz FXJMXXNJHFRRHD-UHFFFAOYSA-N 1 0 394.432 -1.577 20 0 GAADRO Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2ccsc2n1 ZINC001218759617 1074024815 /nfs/dbraw/zinc/02/48/15/1074024815.db2.gz LZDXOFNTKXXNAP-UHFFFAOYSA-N 1 0 392.441 -1.149 20 0 GAADRO CNC(=O)c1cccnc1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218764316 1074024845 /nfs/dbraw/zinc/02/48/45/1074024845.db2.gz KCRFPIQCHFOIEX-JQWIXIFHSA-N 1 0 376.417 -1.166 20 0 GAADRO CCOC(=O)c1nc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])c[nH]1 ZINC001218764970 1074024801 /nfs/dbraw/zinc/02/48/01/1074024801.db2.gz SQRGGNKOGSQUSG-UWVGGRQHSA-N 1 0 380.405 -1.021 20 0 GAADRO COc1nc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(C)c(OC)n1 ZINC001218768673 1074024860 /nfs/dbraw/zinc/02/48/60/1074024860.db2.gz SFBGDYZBWJWEFE-UHFFFAOYSA-N 1 0 397.392 -2.952 20 0 GAADRO O=C(CNC1CC[NH2+]CC1)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770014 1074024752 /nfs/dbraw/zinc/02/47/52/1074024752.db2.gz AGHKOVMCQUJTHU-UHFFFAOYSA-N 1 0 377.449 -1.200 20 0 GAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218770074 1074025119 /nfs/dbraw/zinc/02/51/19/1074025119.db2.gz CBCROUFYGOTQHC-GFCCVEGCSA-N 1 0 391.432 -2.211 20 0 GAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218770075 1074024875 /nfs/dbraw/zinc/02/48/75/1074024875.db2.gz CBCROUFYGOTQHC-LBPRGKRZSA-N 1 0 391.432 -2.211 20 0 GAADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770590 1074025376 /nfs/dbraw/zinc/02/53/76/1074025376.db2.gz JMGDCMBKEUEZHU-LBPRGKRZSA-N 1 0 391.432 -1.592 20 0 GAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218770617 1074025393 /nfs/dbraw/zinc/02/53/93/1074025393.db2.gz JVQYIVAAGHCBPH-RWMBFGLXSA-N 1 0 375.433 -1.591 20 0 GAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218770973 1074025571 /nfs/dbraw/zinc/02/55/71/1074025571.db2.gz RHIHCYJODRYINT-PXAZEXFGSA-N 1 0 375.433 -1.590 20 0 GAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218770974 1074025626 /nfs/dbraw/zinc/02/56/26/1074025626.db2.gz RHIHCYJODRYINT-SJCJKPOMSA-N 1 0 375.433 -1.590 20 0 GAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218770975 1074025419 /nfs/dbraw/zinc/02/54/19/1074025419.db2.gz RHIHCYJODRYINT-SJKOYZFVSA-N 1 0 375.433 -1.590 20 0 GAADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218770976 1074025562 /nfs/dbraw/zinc/02/55/62/1074025562.db2.gz RHIHCYJODRYINT-YVEFUNNKSA-N 1 0 375.433 -1.590 20 0 GAADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218771253 1074025471 /nfs/dbraw/zinc/02/54/71/1074025471.db2.gz WZRROKWNFYCJIE-KPHLJTLVSA-N 1 0 384.462 -1.445 20 0 GAADRO C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218771255 1074025452 /nfs/dbraw/zinc/02/54/52/1074025452.db2.gz WZRROKWNFYCJIE-LJZMDLFKSA-N 1 0 384.462 -1.445 20 0 GAADRO Cc1nc2c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cccn2c1C ZINC001218772550 1074025522 /nfs/dbraw/zinc/02/55/22/1074025522.db2.gz GTPQMHMQOIYKTB-UHFFFAOYSA-N 1 0 389.416 -1.803 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccnn1Br ZINC001218772629 1074025579 /nfs/dbraw/zinc/02/55/79/1074025579.db2.gz ROZKAUZZDQJLCS-UHFFFAOYSA-N 1 0 390.198 -2.713 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1 ZINC001218773871 1074025354 /nfs/dbraw/zinc/02/53/54/1074025354.db2.gz KWNATLBGTKWTHY-WPRPVWTQSA-N 1 0 392.441 -1.072 20 0 GAADRO CCOC(=O)[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218775088 1074025874 /nfs/dbraw/zinc/02/58/74/1074025874.db2.gz FGZIUBOXPQDYOL-ATZCPNFKSA-N 1 0 386.840 -1.480 20 0 GAADRO CCOC(=O)[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218775089 1074025957 /nfs/dbraw/zinc/02/59/57/1074025957.db2.gz FGZIUBOXPQDYOL-FXPVBKGRSA-N 1 0 386.840 -1.480 20 0 GAADRO CCOC(=O)[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218775090 1074025882 /nfs/dbraw/zinc/02/58/82/1074025882.db2.gz FGZIUBOXPQDYOL-IQJOONFLSA-N 1 0 386.840 -1.480 20 0 GAADRO CCOC(=O)[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218775091 1074026127 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KWGQGXGMECANJR-WCBMZHEXSA-N 1 0 380.840 -1.006 20 0 GAADRO Cn1nc(N)cc1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218779300 1074027666 /nfs/dbraw/zinc/02/76/66/1074027666.db2.gz KWGQGXGMECANJR-WPRPVWTQSA-N 1 0 380.840 -1.006 20 0 GAADRO COC(=O)[C@@H](N)CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218780406 1074027687 /nfs/dbraw/zinc/02/76/87/1074027687.db2.gz ZENFBLILCKKTFW-GUBZILKMSA-N 1 0 386.840 -1.480 20 0 GAADRO COC(=O)[C@@H](N)CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218780407 1074027849 /nfs/dbraw/zinc/02/78/49/1074027849.db2.gz ZENFBLILCKKTFW-KXUCPTDWSA-N 1 0 386.840 -1.480 20 0 GAADRO COC(=O)[C@@H](N)CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218780409 1074027728 /nfs/dbraw/zinc/02/77/28/1074027728.db2.gz ZENFBLILCKKTFW-LPEHRKFASA-N 1 0 386.840 -1.480 20 0 GAADRO COC(=O)[C@@H](N)CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218780411 1074027830 /nfs/dbraw/zinc/02/78/30/1074027830.db2.gz ZENFBLILCKKTFW-UTLUCORTSA-N 1 0 386.840 -1.480 20 0 GAADRO CC(=O)OC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218781508 1074027703 /nfs/dbraw/zinc/02/77/03/1074027703.db2.gz SPHXUUFZIODFAG-DCAQKATOSA-N 1 0 386.840 -1.480 20 0 GAADRO CC(=O)OC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218781509 1074027791 /nfs/dbraw/zinc/02/77/91/1074027791.db2.gz SPHXUUFZIODFAG-GARJFASQSA-N 1 0 386.840 -1.480 20 0 GAADRO CC(=O)OC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218781511 1074027654 /nfs/dbraw/zinc/02/76/54/1074027654.db2.gz SPHXUUFZIODFAG-OUAUKWLOSA-N 1 0 386.840 -1.480 20 0 GAADRO CC(=O)OC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218781512 1074027776 /nfs/dbraw/zinc/02/77/76/1074027776.db2.gz SPHXUUFZIODFAG-VWYCJHECSA-N 1 0 386.840 -1.480 20 0 GAADRO Nc1ncn(C(=O)CN2CCNCC2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784289 1074028254 /nfs/dbraw/zinc/02/82/54/1074028254.db2.gz YCYXUBZYXYBNQI-GHMZBOCLSA-N 1 0 397.867 -1.938 20 0 GAADRO 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ZINC001218784352 1074028120 /nfs/dbraw/zinc/02/81/20/1074028120.db2.gz FKDLSDPEVYDLIA-IUCAKERBSA-N 1 0 380.840 -1.006 20 0 GAADRO Cn1cc(N)nc1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218784356 1074028070 /nfs/dbraw/zinc/02/80/70/1074028070.db2.gz FKDLSDPEVYDLIA-RKDXNWHRSA-N 1 0 380.840 -1.006 20 0 GAADRO Nc1ncn(C(=O)[C@@H]2CCC(=O)CN2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786970 1074028493 /nfs/dbraw/zinc/02/84/93/1074028493.db2.gz YUEFLKWXXCCCLM-ADEWGFFLSA-N 1 0 382.852 -1.049 20 0 GAADRO Nc1ncn(C(=O)[C@@H]2CCC(=O)CN2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786971 1074028538 /nfs/dbraw/zinc/02/85/38/1074028538.db2.gz YUEFLKWXXCCCLM-DLOVCJGASA-N 1 0 382.852 -1.049 20 0 GAADRO Nc1ncn(C(=O)[C@@H]2CCC(=O)CN2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786972 1074028765 /nfs/dbraw/zinc/02/87/65/1074028765.db2.gz YUEFLKWXXCCCLM-USWWRNFRSA-N 1 0 382.852 -1.049 20 0 GAADRO Nc1ncn(C(=O)[C@@H]2CCC(=O)CN2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786973 1074028775 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UTSMJSVUPBPYLN-UHFFFAOYSA-N 1 0 391.310 -2.259 20 0 GAADRO COCCOc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccn1 ZINC001218806628 1074028712 /nfs/dbraw/zinc/02/87/12/1074028712.db2.gz CKRHMPVONZBSLZ-UHFFFAOYSA-N 1 0 396.404 -2.647 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc2nsnc21 ZINC001218807681 1074028740 /nfs/dbraw/zinc/02/87/40/1074028740.db2.gz IGWZCFHBCZBGHA-UHFFFAOYSA-N 1 0 379.402 -2.063 20 0 GAADRO COc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc(OC)c1 ZINC001218810549 1074028693 /nfs/dbraw/zinc/02/86/93/1074028693.db2.gz XOFVVLFJNQYVSH-UHFFFAOYSA-N 1 0 381.389 -2.050 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC001218812441 1074028560 /nfs/dbraw/zinc/02/85/60/1074028560.db2.gz TXRVLVLYYODIGK-UHFFFAOYSA-N 1 0 387.400 -1.882 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(-n2cccc2)cc1 ZINC001218813310 1074028545 /nfs/dbraw/zinc/02/85/45/1074028545.db2.gz AGNRIUNUSHIFSL-UHFFFAOYSA-N 1 0 386.412 -1.277 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccccc1-n1cccn1 ZINC001218817766 1074028503 /nfs/dbraw/zinc/02/85/03/1074028503.db2.gz FRAGLDAFQHHSQS-UHFFFAOYSA-N 1 0 387.400 -1.882 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001218821749 1074028597 /nfs/dbraw/zinc/02/85/97/1074028597.db2.gz GPQBOAPYOWWVCX-UHFFFAOYSA-N 1 0 388.388 -2.487 20 0 GAADRO Cc1ccc2cccnc2c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218847919 1074028663 /nfs/dbraw/zinc/02/86/63/1074028663.db2.gz LJYJMLJYKUISDJ-UHFFFAOYSA-N 1 0 386.412 -1.211 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001218850894 1074028785 /nfs/dbraw/zinc/02/87/85/1074028785.db2.gz UQAKXRZRQWDKEC-FZMZJTMJSA-N 1 0 391.428 -1.195 20 0 GAADRO CCOc1ccc(C)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218853282 1074028619 /nfs/dbraw/zinc/02/86/19/1074028619.db2.gz IUPPFFWCWQDWGU-UHFFFAOYSA-N 1 0 379.417 -1.360 20 0 GAADRO Cc1cc2c(cccc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nn1 ZINC001218858759 1074029176 /nfs/dbraw/zinc/02/91/76/1074029176.db2.gz GNIGSWYVWFFGFF-UHFFFAOYSA-N 1 0 387.400 -1.816 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc(-c2nnco2)c1 ZINC001218863531 1074029104 /nfs/dbraw/zinc/02/91/04/1074029104.db2.gz YIDIXROPGBZBAY-UHFFFAOYSA-N 1 0 389.372 -2.018 20 0 GAADRO Cc1nc2c(cccc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])o1 ZINC001218865181 1074029136 /nfs/dbraw/zinc/02/91/36/1074029136.db2.gz QOZMPGOVAMNSAZ-UHFFFAOYSA-N 1 0 376.373 -1.618 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001218874124 1074029194 /nfs/dbraw/zinc/02/91/94/1074029194.db2.gz SBYXNDBTTRXMMJ-GWCFXTLKSA-N 1 0 376.417 -1.731 20 0 GAADRO COc1nccn(C(=O)[C@H]2C[NH2+]C[C@@H]2N)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874285 1074029165 /nfs/dbraw/zinc/02/91/65/1074029165.db2.gz AGFGIDCOVGKFSX-STQMWFEESA-N 1 0 392.441 -1.050 20 0 GAADRO COc1nccn(C(=O)CNCC[NH3+])c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874399 1074029155 /nfs/dbraw/zinc/02/91/55/1074029155.db2.gz BJAMHFCHDYRFHZ-UHFFFAOYSA-N 1 0 380.430 -1.048 20 0 GAADRO COc1nccn(C(=O)[C@@H]2C[NH2+]C[C@H]2O)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875697 1074029097 /nfs/dbraw/zinc/02/90/97/1074029097.db2.gz XCEQOYAWRVSOQR-CHWSQXEVSA-N 1 0 393.425 -1.016 20 0 GAADRO COc1nccn(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875698 1074029010 /nfs/dbraw/zinc/02/90/10/1074029010.db2.gz XCEQOYAWRVSOQR-OLZOCXBDSA-N 1 0 393.425 -1.016 20 0 GAADRO COc1nccn(C(=O)[C@H]2C[NH2+]C[C@H]2O)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875699 1074029002 /nfs/dbraw/zinc/02/90/02/1074029002.db2.gz XCEQOYAWRVSOQR-QWHCGFSZSA-N 1 0 393.425 -1.016 20 0 GAADRO COc1nccn(C(=O)[C@H]2C[NH2+]C[C@@H]2O)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875700 1074029068 /nfs/dbraw/zinc/02/90/68/1074029068.db2.gz XCEQOYAWRVSOQR-STQMWFEESA-N 1 0 393.425 -1.016 20 0 GAADRO COc1nccn(C(=O)[C@H]2C[NH2+]CCN2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875768 1074029015 /nfs/dbraw/zinc/02/90/15/1074029015.db2.gz ZOISDDYBMVETLB-CYBMUJFWSA-N 1 0 392.441 -1.035 20 0 GAADRO COc1nccn(C(=O)[C@@H]2C[NH2+]CCN2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875769 1074029023 /nfs/dbraw/zinc/02/90/23/1074029023.db2.gz ZOISDDYBMVETLB-ZDUSSCGKSA-N 1 0 392.441 -1.035 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2[NH2+]CC[C@H]2O)cc1Cl ZINC001218876099 1074029075 /nfs/dbraw/zinc/02/90/75/1074029075.db2.gz DYMAYMXJGSBXKT-XCBNKYQSSA-N 1 0 398.850 -1.704 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)cc1Cl ZINC001218876100 1074029033 /nfs/dbraw/zinc/02/90/33/1074029033.db2.gz DYMAYMXJGSBXKT-XVKPBYJWSA-N 1 0 398.850 -1.704 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC001218876357 1074029090 /nfs/dbraw/zinc/02/90/90/1074029090.db2.gz HGIVVYQGOZNGRT-SVGQVSJJSA-N 1 0 398.850 -1.846 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC001218876363 1074029057 /nfs/dbraw/zinc/02/90/57/1074029057.db2.gz HGIVVYQGOZNGRT-XNCJUZBTSA-N 1 0 398.850 -1.846 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC001218876365 1074029085 /nfs/dbraw/zinc/02/90/85/1074029085.db2.gz HGIVVYQGOZNGRT-XRGYYRRGSA-N 1 0 398.850 -1.846 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC001218876366 1074029079 /nfs/dbraw/zinc/02/90/79/1074029079.db2.gz HGIVVYQGOZNGRT-YLWLKBPMSA-N 1 0 398.850 -1.846 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNCC[NH3+])cc1Cl ZINC001218876420 1074029632 /nfs/dbraw/zinc/02/96/32/1074029632.db2.gz IFCCXDLASQRUKE-UHFFFAOYSA-N 1 0 385.855 -1.878 20 0 GAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218876612 1074029536 /nfs/dbraw/zinc/02/95/36/1074029536.db2.gz KDPJGXVIEKIOOR-FSPLSTOPSA-N 1 0 397.866 -1.880 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]CCN2)cc1Cl ZINC001218877068 1074029471 /nfs/dbraw/zinc/02/94/71/1074029471.db2.gz OTXRCGRWNAOPSX-MRVPVSSYSA-N 1 0 397.866 -1.865 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH2+]CCN2)cc1Cl ZINC001218877070 1074029573 /nfs/dbraw/zinc/02/95/73/1074029573.db2.gz OTXRCGRWNAOPSX-QMMMGPOBSA-N 1 0 397.866 -1.865 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1Cl ZINC001218877138 1074029605 /nfs/dbraw/zinc/02/96/05/1074029605.db2.gz PPQZHBYHKXCUPB-XNCJUZBTSA-N 1 0 398.850 -1.704 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNCCC[NH3+])cc1Cl ZINC001218877203 1074029600 /nfs/dbraw/zinc/02/96/00/1074029600.db2.gz QASQODDDVXIVQM-UHFFFAOYSA-N 1 0 399.882 -1.488 20 0 GAADRO N[C@]1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]C1 ZINC001218877566 1074029478 /nfs/dbraw/zinc/02/94/78/1074029478.db2.gz SMZPTJUJYBMEAB-LLVKDONJSA-N 1 0 397.866 -1.736 20 0 GAADRO N[C@@]1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]C1 ZINC001218877568 1074029579 /nfs/dbraw/zinc/02/95/79/1074029579.db2.gz SMZPTJUJYBMEAB-NSHDSACASA-N 1 0 397.866 -1.736 20 0 GAADRO N[C@@H](CC[NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877648 1074029612 /nfs/dbraw/zinc/02/96/12/1074029612.db2.gz VKPBGRQTYRNWNC-LURJTMIESA-N 1 0 385.855 -1.751 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)cc1Cl ZINC001218877962 1074029584 /nfs/dbraw/zinc/02/95/84/1074029584.db2.gz XEDPYKSTTIXIQU-XNCJUZBTSA-N 1 0 397.866 -1.738 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)cc1Cl ZINC001218877963 1074029427 /nfs/dbraw/zinc/02/94/27/1074029427.db2.gz XEDPYKSTTIXIQU-XRGYYRRGSA-N 1 0 397.866 -1.738 20 0 GAADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1Cl ZINC001218879277 1074029641 /nfs/dbraw/zinc/02/96/41/1074029641.db2.gz PPQZHBYHKXCUPB-SVGQVSJJSA-N 1 0 398.850 -1.704 20 0 GAADRO Cn1nnc2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc21 ZINC001218881159 1074029439 /nfs/dbraw/zinc/02/94/39/1074029439.db2.gz PKJXJKWEMYWGTI-UHFFFAOYSA-N 1 0 376.377 -2.786 20 0 GAADRO COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218882974 1074030027 /nfs/dbraw/zinc/03/00/27/1074030027.db2.gz GUJJKEXSFQAVEK-XVKPBYJWSA-N 1 0 382.373 -1.167 20 0 GAADRO Cc1c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2nn1C ZINC001218888645 1074030062 /nfs/dbraw/zinc/03/00/62/1074030062.db2.gz ISQHZLRWBOAEFL-UHFFFAOYSA-N 1 0 389.416 -1.872 20 0 GAADRO Cn1cc2cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2n1 ZINC001218889559 1074029977 /nfs/dbraw/zinc/02/99/77/1074029977.db2.gz SLUNCUNGDZLQTP-UHFFFAOYSA-N 1 0 375.389 -2.181 20 0 GAADRO CNS(=O)(=O)CCc1ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc1 ZINC001218889649 1074029964 /nfs/dbraw/zinc/02/99/64/1074029964.db2.gz AOHAQHCSNANMTP-UHFFFAOYSA-N 1 0 392.503 -1.063 20 0 GAADRO CNS(=O)(=O)CCc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc1 ZINC001218893198 1074029927 /nfs/dbraw/zinc/02/99/27/1074029927.db2.gz ZMWGLHBRUFEQRV-GWCFXTLKSA-N 1 0 399.473 -1.576 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C ZINC001218894465 1074029890 /nfs/dbraw/zinc/02/98/90/1074029890.db2.gz QZXBUHZVLNJJAY-ONGXEEELSA-N 1 0 385.446 -1.417 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218901037 1074029824 /nfs/dbraw/zinc/02/98/24/1074029824.db2.gz BHZJTWJYEWIRQZ-XDTLVQLUSA-N 1 0 377.401 -1.017 20 0 GAADRO CNS(=O)(=O)c1ccc(O)c(NC(=O)CN(CC[NH3+])S(C)(=O)=O)c1 ZINC001218901163 1074030081 /nfs/dbraw/zinc/03/00/81/1074030081.db2.gz BFIUZTUSKKYNPI-UHFFFAOYSA-N 1 0 380.448 -1.541 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(C2OCCO2)cc1 ZINC001218911080 1074030042 /nfs/dbraw/zinc/03/00/42/1074030042.db2.gz XKDLXMIHBZJCOC-UHFFFAOYSA-N 1 0 393.400 -2.022 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(-c2cccnc2)cc1 ZINC001218915068 1074029991 /nfs/dbraw/zinc/02/99/91/1074029991.db2.gz KNVDLIDCALOAFT-UHFFFAOYSA-N 1 0 398.423 -1.006 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccccc1-c1cnco1 ZINC001218927079 1074029857 /nfs/dbraw/zinc/02/98/57/1074029857.db2.gz ARWDMGBHGBTZGT-UHFFFAOYSA-N 1 0 388.384 -1.413 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(C2=NCCO2)cc1 ZINC001218928478 1074029945 /nfs/dbraw/zinc/02/99/45/1074029945.db2.gz BJIRKIPHHOEGTF-UHFFFAOYSA-N 1 0 390.400 -2.291 20 0 GAADRO COC(=O)c1n[nH]c2cccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c21 ZINC001218931924 1074029911 /nfs/dbraw/zinc/02/99/11/1074029911.db2.gz MBGCZBUKRVKVRC-XVKPBYJWSA-N 1 0 376.373 -1.005 20 0 GAADRO COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218933925 1074030156 /nfs/dbraw/zinc/03/01/56/1074030156.db2.gz AMLOLQTVASOGCQ-KWQFWETISA-N 1 0 394.384 -1.094 20 0 GAADRO CC(=O)c1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(F)c1 ZINC001218944343 1074030134 /nfs/dbraw/zinc/03/01/34/1074030134.db2.gz CKNJNHQUPOGEQI-UHFFFAOYSA-N 1 0 381.364 -1.726 20 0 GAADRO COCCOc1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001218950964 1074030008 /nfs/dbraw/zinc/03/00/08/1074030008.db2.gz LRIALAHQNCWRFZ-UHFFFAOYSA-N 1 0 395.416 -2.042 20 0 GAADRO Cc1ccc2c(cccc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001218957196 1074030362 /nfs/dbraw/zinc/03/03/62/1074030362.db2.gz STEZTYDAKNDQKL-UHFFFAOYSA-N 1 0 386.412 -1.211 20 0 GAADRO COc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c(C(N)=O)cc1OC ZINC001218968979 1074030591 /nfs/dbraw/zinc/03/05/91/1074030591.db2.gz SISKPWJBCWGGRM-XVKPBYJWSA-N 1 0 381.389 -1.551 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(F)cc2cccnc21 ZINC001218969006 1074030712 /nfs/dbraw/zinc/03/07/12/1074030712.db2.gz XAWCVKORVFTSQB-UHFFFAOYSA-N 1 0 390.375 -1.380 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc2c1OCCC2 ZINC001218975024 1074030532 /nfs/dbraw/zinc/03/05/32/1074030532.db2.gz QDHKCKRQYXGSFA-UHFFFAOYSA-N 1 0 377.401 -1.743 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(-c2ccncn2)cc1 ZINC001218978360 1074030674 /nfs/dbraw/zinc/03/06/74/1074030674.db2.gz VUVPONUDAKLOJP-UHFFFAOYSA-N 1 0 399.411 -1.611 20 0 GAADRO Cc1ccnc2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc12 ZINC001218980340 1074030393 /nfs/dbraw/zinc/03/03/93/1074030393.db2.gz BMHLESPOBFQCEQ-UHFFFAOYSA-N 1 0 386.412 -1.211 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc(-n2nccn2)c1 ZINC001218983932 1074030491 /nfs/dbraw/zinc/03/04/91/1074030491.db2.gz HXESFPPAXWOWDJ-UHFFFAOYSA-N 1 0 388.388 -2.487 20 0 GAADRO COC(=O)c1c2n[nH]cc2ccc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218988990 1074030552 /nfs/dbraw/zinc/03/05/52/1074030552.db2.gz MQMUVPORFXLIRM-XVKPBYJWSA-N 1 0 376.373 -1.005 20 0 GAADRO CC(=O)c1c(F)cccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218998860 1074030508 /nfs/dbraw/zinc/03/05/08/1074030508.db2.gz CEMIIXIQAYOHJR-UHFFFAOYSA-N 1 0 381.364 -1.726 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccccc1-n1cncn1 ZINC001219007775 1074030629 /nfs/dbraw/zinc/03/06/29/1074030629.db2.gz WQZJUYOEMGVURQ-UHFFFAOYSA-N 1 0 388.388 -2.487 20 0 GAADRO CN1c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2CC1=O ZINC001219020691 1074030457 /nfs/dbraw/zinc/03/04/57/1074030457.db2.gz ISCQKLUCISZOGB-UHFFFAOYSA-N 1 0 390.400 -2.549 20 0 GAADRO COc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc(-n2cncn2)c1 ZINC001219094213 1074030417 /nfs/dbraw/zinc/03/04/17/1074030417.db2.gz AFPMZHNTBDTPKZ-ZANVPECISA-N 1 0 375.389 -1.078 20 0 GAADRO CC(=O)Oc1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001219100929 1074030652 /nfs/dbraw/zinc/03/06/52/1074030652.db2.gz BGMOSMOUMAHNAE-UHFFFAOYSA-N 1 0 379.373 -2.142 20 0 GAADRO COC(=O)C1CN(c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc2)C1 ZINC001219130934 1074030912 /nfs/dbraw/zinc/03/09/12/1074030912.db2.gz VXSZHSGKDZNYDW-HZMBPMFUSA-N 1 0 391.428 -1.058 20 0 GAADRO Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2snnc21 ZINC001219184006 1074031028 /nfs/dbraw/zinc/03/10/28/1074031028.db2.gz FRDWGWNPTPLBEG-UHFFFAOYSA-N 1 0 393.429 -1.754 20 0 GAADRO Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2scnc21 ZINC001219184789 1074031208 /nfs/dbraw/zinc/03/12/08/1074031208.db2.gz VESFGRJZGOBXOU-UHFFFAOYSA-N 1 0 392.441 -1.149 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(F)c2cnccc12 ZINC001219198928 1074031068 /nfs/dbraw/zinc/03/10/68/1074031068.db2.gz AEBWVEHUFULKEP-UHFFFAOYSA-N 1 0 390.375 -1.380 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc2cncc(F)c21 ZINC001219201783 1074031287 /nfs/dbraw/zinc/03/12/87/1074031287.db2.gz JTBLVMKODMBADQ-UHFFFAOYSA-N 1 0 390.375 -1.380 20 0 GAADRO CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219229887 1074030987 /nfs/dbraw/zinc/03/09/87/1074030987.db2.gz CIWMLHQEKGZPMS-HNNXBMFYSA-N 1 0 397.501 -1.006 20 0 GAADRO CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219229891 1074031155 /nfs/dbraw/zinc/03/11/55/1074031155.db2.gz CIWMLHQEKGZPMS-OAHLLOKOSA-N 1 0 397.501 -1.006 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc2c1C(=O)CCC2 ZINC001219255750 1074031240 /nfs/dbraw/zinc/03/12/40/1074031240.db2.gz KUOKOWOXFRYQIB-UHFFFAOYSA-N 1 0 389.412 -1.549 20 0 GAADRO CC(=O)c1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1C ZINC001219258535 1074030963 /nfs/dbraw/zinc/03/09/63/1074030963.db2.gz QASZJVKXVLJHTN-UHFFFAOYSA-N 1 0 377.401 -1.557 20 0 GAADRO COc1cc2nc[nH]c(=O)c2cc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001219264053 1074031108 /nfs/dbraw/zinc/03/11/08/1074031108.db2.gz PKTVAVPFPDKAQQ-CPCISQLKSA-N 1 0 376.373 -1.010 20 0 GAADRO Nc1ccc2c(c1)CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219266366 1074031180 /nfs/dbraw/zinc/03/11/80/1074031180.db2.gz GYKYACGABNAPTN-UHFFFAOYSA-N 1 0 376.417 -2.145 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccccc1-c1ccncc1 ZINC001219328031 1074031223 /nfs/dbraw/zinc/03/12/23/1074031223.db2.gz BJJKZQIUNJUUQJ-UHFFFAOYSA-N 1 0 398.423 -1.006 20 0 GAADRO COC(=O)c1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc2n[nH]cc21 ZINC001219338115 1074031309 /nfs/dbraw/zinc/03/13/09/1074031309.db2.gz BPPXDJVSDPSXGQ-MADCSZMMSA-N 1 0 376.373 -1.005 20 0 GAADRO CN1Cc2cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2C1=O ZINC001219364737 1074031583 /nfs/dbraw/zinc/03/15/83/1074031583.db2.gz NVQFVGBMIYGYOO-UHFFFAOYSA-N 1 0 390.400 -2.482 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccccc1OCC1CC1 ZINC001219384883 1074031768 /nfs/dbraw/zinc/03/17/68/1074031768.db2.gz YOAGUCSRQVEKEO-UHFFFAOYSA-N 1 0 391.428 -1.279 20 0 GAADRO COc1cc(C)c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1C ZINC001219391101 1074031505 /nfs/dbraw/zinc/03/15/05/1074031505.db2.gz JYPOSZDZZBFJJM-UHFFFAOYSA-N 1 0 379.417 -1.442 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2oc(=O)ccc2c1 ZINC001219391287 1074031792 /nfs/dbraw/zinc/03/17/92/1074031792.db2.gz QNLATWDRMKGUCR-UHFFFAOYSA-N 1 0 389.368 -1.961 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(C(=O)C2CC2)cc1 ZINC001219405127 1074031731 /nfs/dbraw/zinc/03/17/31/1074031731.db2.gz RWEPSQBYBBZRKX-UHFFFAOYSA-N 1 0 389.412 -1.475 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(Cl)cc2ncoc21 ZINC001219412352 1074031669 /nfs/dbraw/zinc/03/16/69/1074031669.db2.gz MMBAYDJPNLGUDO-UHFFFAOYSA-N 1 0 396.791 -1.273 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cc(O)cc(C(N)=O)c1 ZINC001219441899 1074031566 /nfs/dbraw/zinc/03/15/66/1074031566.db2.gz VZNGBPVMHHDHQY-ZANVPECISA-N 1 0 377.401 -1.116 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(F)c(C2CC2)c1 ZINC001219450942 1074031814 /nfs/dbraw/zinc/03/18/14/1074031814.db2.gz GTKZAOYVLKEJGK-UHFFFAOYSA-N 1 0 379.392 -1.051 20 0 GAADRO CC1(c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2)COC1 ZINC001219490815 1074031686 /nfs/dbraw/zinc/03/16/86/1074031686.db2.gz AHSZGJNFOUGMKV-UHFFFAOYSA-N 1 0 391.428 -1.780 20 0 GAADRO Cc1c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc2c1OCCO2 ZINC001219498064 1074031654 /nfs/dbraw/zinc/03/16/54/1074031654.db2.gz OVIIGDSQDCLAHQ-UHFFFAOYSA-N 1 0 393.400 -1.988 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N[C@H](CO)[C@@H](C)O ZINC001219558398 1074031750 /nfs/dbraw/zinc/03/17/50/1074031750.db2.gz PIYCWARPDQFTSD-ZQNQSHIBSA-N 1 0 386.493 -1.287 20 0 GAADRO COc1ccc(C(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001219559871 1074031707 /nfs/dbraw/zinc/03/17/07/1074031707.db2.gz LKOQBVORFAKDCV-UHFFFAOYSA-N 1 0 393.400 -2.699 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCc2ccccc21 ZINC001219560507 1074031527 /nfs/dbraw/zinc/03/15/27/1074031527.db2.gz XORUEJKZXBNOCI-CQSZACIVSA-N 1 0 375.429 -1.513 20 0 GAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O ZINC001219563930 1074031838 /nfs/dbraw/zinc/03/18/38/1074031838.db2.gz NRAXWGYPMUGDJY-BBRMVZONSA-N 1 0 377.445 -1.585 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCCn1ccnn1 ZINC001219566154 1074031493 /nfs/dbraw/zinc/03/14/93/1074031493.db2.gz VXXCXMSJEVVFHR-KBPBESRZSA-N 1 0 379.465 -1.207 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001219567400 1074031858 /nfs/dbraw/zinc/03/18/58/1074031858.db2.gz JCFGBRSXMMVPBD-ONGXEEELSA-N 1 0 397.867 -1.078 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1cccc(OCCN2CCOCC2)c1 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383.493 -1.118 20 0 GAADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219649833 1074032778 /nfs/dbraw/zinc/03/27/78/1074032778.db2.gz LGHDQBGLQYSWRO-MJDBTJCESA-N 1 0 383.493 -1.118 20 0 GAADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)CC1 ZINC001219652265 1074032643 /nfs/dbraw/zinc/03/26/43/1074032643.db2.gz MFYQIEKITHWJTM-BDXSIMOUSA-N 1 0 385.505 -1.097 20 0 GAADRO CC(C)CNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655901 1074033197 /nfs/dbraw/zinc/03/31/97/1074033197.db2.gz ADVJIVWSWXSAEX-TUVASFSCSA-N 1 0 383.493 -1.030 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)N(C)Cc3cnn(C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001219655997 1074033173 /nfs/dbraw/zinc/03/31/73/1074033173.db2.gz GDHFGVZGWICXLM-DZUCGIPZSA-N 1 0 392.504 -1.120 20 0 GAADRO COCCS(=O)(=O)CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656048 1074033430 /nfs/dbraw/zinc/03/34/30/1074033430.db2.gz IRPCUEQHWGYNIL-FPCVCCKLSA-N 1 0 391.534 -1.061 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCS(=O)(=O)N(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001219656100 1074033364 /nfs/dbraw/zinc/03/33/64/1074033364.db2.gz KTQDWAQRPNPRLA-TUVASFSCSA-N 1 0 376.523 -1.231 20 0 GAADRO CCS(=O)(=O)NCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656314 1074033456 /nfs/dbraw/zinc/03/34/56/1074033456.db2.gz WXXOBUGYQFPYLM-TUVASFSCSA-N 1 0 376.523 -1.183 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001219660584 1074033287 /nfs/dbraw/zinc/03/32/87/1074033287.db2.gz DMQFIRMAIIPBKZ-YJNKXOJESA-N 1 0 376.523 -1.231 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]2O)CC[N@@H+]1C ZINC001219661039 1074033490 /nfs/dbraw/zinc/03/34/90/1074033490.db2.gz QRYZNLNYCUYIMM-YJNKXOJESA-N 1 0 381.477 -1.134 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCNS(=O)(=O)CC)C[C@@H]2O)CC[N@@H+]1C ZINC001219661199 1074033260 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398.493 -2.725 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCNCC1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219676450 1074033819 /nfs/dbraw/zinc/03/38/19/1074033819.db2.gz KUZZTZFKMGHPED-LLVKDONJSA-N 1 0 380.492 -2.886 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCNCC1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219676451 1074033859 /nfs/dbraw/zinc/03/38/59/1074033859.db2.gz KUZZTZFKMGHPED-NSHDSACASA-N 1 0 380.492 -2.886 20 0 GAADRO CCOC(=O)c1nc[nH]c1CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219676464 1074033688 /nfs/dbraw/zinc/03/36/88/1074033688.db2.gz LMCLYYNLLWLWAF-JQWIXIFHSA-N 1 0 394.432 -1.343 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCNCC1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219676546 1074034125 /nfs/dbraw/zinc/03/41/25/1074034125.db2.gz OGNFSGAFWVGZKN-AWEZNQCLSA-N 1 0 396.517 -1.515 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCNCC1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219676547 1074033990 /nfs/dbraw/zinc/03/39/90/1074033990.db2.gz OGNFSGAFWVGZKN-CQSZACIVSA-N 1 0 396.517 -1.515 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCNCC1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219676731 1074034049 /nfs/dbraw/zinc/03/40/49/1074034049.db2.gz VAELSMHIHODZEK-CYBMUJFWSA-N 1 0 397.505 -2.120 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCNCC1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219676732 1074034067 /nfs/dbraw/zinc/03/40/67/1074034067.db2.gz VAELSMHIHODZEK-ZDUSSCGKSA-N 1 0 397.505 -2.120 20 0 GAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678064 1074034380 /nfs/dbraw/zinc/03/43/80/1074034380.db2.gz AWUSHQQBMATEDJ-LBPRGKRZSA-N 1 0 393.510 -2.404 20 0 GAADRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678068 1074034657 /nfs/dbraw/zinc/03/46/57/1074034657.db2.gz BFMZYBPUAJIXQS-LBPRGKRZSA-N 1 0 378.495 -1.343 20 0 GAADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N2CCNCC2)cc1 ZINC001219678157 1074034586 /nfs/dbraw/zinc/03/45/86/1074034586.db2.gz FXJWWYXALBRVGR-AWEZNQCLSA-N 1 0 383.474 -1.994 20 0 GAADRO [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CCNCC1)C1CCC2(CC1)OCCO2 ZINC001219678161 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[NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1nccc2ccccc21 ZINC001220046947 1074041308 /nfs/dbraw/zinc/04/13/08/1074041308.db2.gz KRMABPZWOAVPJL-UHFFFAOYSA-N 1 0 386.412 -1.842 20 0 GAADRO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H](O)C1 ZINC001220048402 1074041715 /nfs/dbraw/zinc/04/17/15/1074041715.db2.gz OWWCGZIPHANZSV-ANQUJSFKSA-N 1 0 379.461 -1.162 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220066105 1074042381 /nfs/dbraw/zinc/04/23/81/1074042381.db2.gz QEIWHRIAFKLYEY-ONGXEEELSA-N 1 0 392.416 -1.323 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc2c(c1)CCO2 ZINC001220069787 1074042270 /nfs/dbraw/zinc/04/22/70/1074042270.db2.gz MPHUOAFRCMLSQM-UHFFFAOYSA-N 1 0 377.401 -2.455 20 0 GAADRO COC(=O)[C@H](CCSC)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220079320 1074042177 /nfs/dbraw/zinc/04/21/77/1074042177.db2.gz GQAIAXFURLVOMG-VIFPVBQESA-N 1 0 391.450 -3.295 20 0 GAADRO 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GAADRO COCCn1cncc1CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220274588 1074045017 /nfs/dbraw/zinc/04/50/17/1074045017.db2.gz JNFOJMWZFTWDES-UHFFFAOYSA-N 1 0 383.409 -3.547 20 0 GAADRO COCCn1cncc1CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220275248 1074044968 /nfs/dbraw/zinc/04/49/68/1074044968.db2.gz WMLZBEZOUKDWOR-JSGCOSHPSA-N 1 0 380.449 -1.400 20 0 GAADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O ZINC001220276371 1074045034 /nfs/dbraw/zinc/04/50/34/1074045034.db2.gz HRFBILKXUBJXQP-YOEHRIQHSA-N 1 0 391.472 -1.195 20 0 GAADRO Cn1cc(CCNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)cn1 ZINC001220276382 1074044804 /nfs/dbraw/zinc/04/48/04/1074044804.db2.gz IHDBXSJDFFSLNE-HOTGVXAUSA-N 1 0 375.429 -1.169 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCc1cn2ccccc2n1 ZINC001220278320 1074044951 /nfs/dbraw/zinc/04/49/51/1074044951.db2.gz MXRNZFCWLQBNMN-UHFFFAOYSA-N 1 0 389.416 -2.700 20 0 GAADRO Cc1cccn2cc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nc12 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ZINC001220284036 1074044880 /nfs/dbraw/zinc/04/48/80/1074044880.db2.gz CPJLHDBCDFPBIT-JKIFEVAISA-N 1 0 399.469 -1.138 20 0 GAADRO CCOC(=O)[C@H](NC(=O)[C@]1(N)CC[NH2+]C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284037 1074044995 /nfs/dbraw/zinc/04/49/95/1074044995.db2.gz CPJLHDBCDFPBIT-KEYYUXOJSA-N 1 0 399.469 -1.138 20 0 GAADRO CCOC(=O)[C@H](NC(=O)[C@@H](N)CC[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284242 1074044891 /nfs/dbraw/zinc/04/48/91/1074044891.db2.gz KUGOBQGGZSZZIM-MJBXVCDLSA-N 1 0 387.458 -1.153 20 0 GAADRO CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284619 1074045062 /nfs/dbraw/zinc/04/50/62/1074045062.db2.gz SYOXLGKAPUCQQI-BEAPCOKYSA-N 1 0 399.469 -1.139 20 0 GAADRO CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])CN1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284621 1074045046 /nfs/dbraw/zinc/04/50/46/1074045046.db2.gz SYOXLGKAPUCQQI-MHEUCROKSA-N 1 0 399.469 -1.139 20 0 GAADRO CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1N)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284642 1074044762 /nfs/dbraw/zinc/04/47/62/1074044762.db2.gz UCVQHLXOXPUABW-XQLPTFJDSA-N 1 0 399.469 -1.282 20 0 GAADRO CCOC(=O)[C@H](NC(=O)CNCC[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284779 1074044792 /nfs/dbraw/zinc/04/47/92/1074044792.db2.gz WBIFGTHQMQFZBB-CABCVRRESA-N 1 0 387.458 -1.280 20 0 GAADRO C[C@@H]1C[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2ccccc21 ZINC001220332107 1074045524 /nfs/dbraw/zinc/04/55/24/1074045524.db2.gz IRDDEQMMCUUPNM-BXUZGUMPSA-N 1 0 375.429 -1.342 20 0 GAADRO C[C@H]1C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2ccccc21 ZINC001220332108 1074045444 /nfs/dbraw/zinc/04/54/44/1074045444.db2.gz IRDDEQMMCUUPNM-FZMZJTMJSA-N 1 0 375.429 -1.342 20 0 GAADRO C[C@@H]1C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2ccccc21 ZINC001220332109 1074045582 /nfs/dbraw/zinc/04/55/82/1074045582.db2.gz IRDDEQMMCUUPNM-RISCZKNCSA-N 1 0 375.429 -1.342 20 0 GAADRO C[C@H]1C[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2ccccc21 ZINC001220332110 1074045463 /nfs/dbraw/zinc/04/54/63/1074045463.db2.gz IRDDEQMMCUUPNM-SMDDNHRTSA-N 1 0 375.429 -1.342 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1nn(C)cc1Br ZINC001220334766 1074045381 /nfs/dbraw/zinc/04/53/81/1074045381.db2.gz BMBHRLKGJVVJDI-XPUUQOCRSA-N 1 0 375.227 -1.494 20 0 GAADRO COc1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)nn1 ZINC001220343181 1074045398 /nfs/dbraw/zinc/04/53/98/1074045398.db2.gz FXYSTVGBXILYQO-GJZGRUSLSA-N 1 0 389.412 -1.146 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccn(CC2CC2)c1=O ZINC001220343448 1074045564 /nfs/dbraw/zinc/04/55/64/1074045564.db2.gz PHALPJXBCPPJRB-UHFFFAOYSA-N 1 0 392.416 -2.496 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCCCn3cncn3)C[C@@H]2O)O1 ZINC001220347105 1074045509 /nfs/dbraw/zinc/04/55/09/1074045509.db2.gz ILBZADHEIQENQK-CBBWQLFWSA-N 1 0 380.449 -1.357 20 0 GAADRO CCOC(=O)C1(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC1 ZINC001220370708 1074047510 /nfs/dbraw/zinc/04/75/10/1074047510.db2.gz AJEVHGOBJZBHJM-UHFFFAOYSA-N 1 0 385.421 -2.857 20 0 GAADRO C[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1cc(F)cc(F)c1 ZINC001220375601 1074047717 /nfs/dbraw/zinc/04/77/17/1074047717.db2.gz YRAKSTDYPNSUCX-SECBINFHSA-N 1 0 385.371 -1.551 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1COCCN1C ZINC001220380849 1074047548 /nfs/dbraw/zinc/04/75/48/1074047548.db2.gz DKZMKYUJZQHFQD-JYJNAYRXSA-N 1 0 397.520 -1.168 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@@H]1COCCN1C ZINC001220380850 1074047585 /nfs/dbraw/zinc/04/75/85/1074047585.db2.gz DKZMKYUJZQHFQD-PMPSAXMXSA-N 1 0 397.520 -1.168 20 0 GAADRO COC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C(=O)OC(C)(C)C ZINC001220381158 1074047667 /nfs/dbraw/zinc/04/76/67/1074047667.db2.gz HOGGLQQCHHNMOM-GUBZILKMSA-N 1 0 388.421 -1.917 20 0 GAADRO CN1CCOC[C@@H]1CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220382204 1074047479 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1 0 375.183 -1.822 20 0 GAADRO CNOCCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220403589 1074048524 /nfs/dbraw/zinc/04/85/24/1074048524.db2.gz WDASQKJXELLQFI-MJVIPROJSA-N 1 0 391.444 -1.845 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220406451 1074048569 /nfs/dbraw/zinc/04/85/69/1074048569.db2.gz QSNVFTKIOVBJTJ-HZUKXOBISA-N 1 0 387.440 -1.072 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220406452 1074048453 /nfs/dbraw/zinc/04/84/53/1074048453.db2.gz QSNVFTKIOVBJTJ-PJODQICGSA-N 1 0 387.440 -1.072 20 0 GAADRO COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220408915 1074048745 /nfs/dbraw/zinc/04/87/45/1074048745.db2.gz OPEOGMGATFPCQH-BHDSKKPTSA-N 1 0 391.428 -1.055 20 0 GAADRO COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220408916 1074048728 /nfs/dbraw/zinc/04/87/28/1074048728.db2.gz OPEOGMGATFPCQH-RBZYPMLTSA-N 1 0 391.428 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CC(C)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccc(F)cc1 ZINC001220438878 1074049059 /nfs/dbraw/zinc/04/90/59/1074049059.db2.gz YHJSWMYREIPOGB-GOSISDBHSA-N 1 0 395.435 -1.054 20 0 GAADRO CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccc(F)cc1 ZINC001220438879 1074049035 /nfs/dbraw/zinc/04/90/35/1074049035.db2.gz YHJSWMYREIPOGB-SFHVURJKSA-N 1 0 395.435 -1.054 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC(=O)CCO ZINC001220449389 1074049148 /nfs/dbraw/zinc/04/91/48/1074049148.db2.gz RYXKQAAXBNSFAS-QEJZJMRPSA-N 1 0 384.477 -1.077 20 0 GAADRO COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220456204 1074049374 /nfs/dbraw/zinc/04/93/74/1074049374.db2.gz HBSRTPAXXWQPAJ-UBHSHLNASA-N 1 0 394.428 -1.432 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)Cc1ccccc1 ZINC001220462875 1074049232 /nfs/dbraw/zinc/04/92/32/1074049232.db2.gz RPVAVBJUYBXRJG-UHFFFAOYSA-N 1 0 377.401 -2.778 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001220468530 1074049329 /nfs/dbraw/zinc/04/93/29/1074049329.db2.gz ARTKWVZHOQTPRN-QWHCGFSZSA-N 1 0 379.392 -1.895 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471293 1074049204 /nfs/dbraw/zinc/04/92/04/1074049204.db2.gz HRZXUOPQVUXMCC-YUMQZZPRSA-N 1 0 376.377 -1.549 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H](CO)C(=O)OC(C)(C)C ZINC001220479703 1074049130 /nfs/dbraw/zinc/04/91/30/1074049130.db2.gz VHSOXLROCMEKFT-SRVKXCTJSA-N 1 0 386.449 -1.740 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481283 1074049249 /nfs/dbraw/zinc/04/92/49/1074049249.db2.gz BZIWUSVHOSTSOP-KBXIAJHMSA-N 1 0 384.477 -1.660 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481858 1074049293 /nfs/dbraw/zinc/04/92/93/1074049293.db2.gz TZLDZCBYVLOGGY-OTJKEOIZSA-N 1 0 398.504 -1.190 20 0 GAADRO CCS(=O)(=O)c1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc1 ZINC001220489806 1074049905 /nfs/dbraw/zinc/04/99/05/1074049905.db2.gz HVYPKOJPWYZPSK-GWCFXTLKSA-N 1 0 384.458 -1.196 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]2CC[NH2+]2)[C@H]1O ZINC001220514229 1074050113 /nfs/dbraw/zinc/05/01/13/1074050113.db2.gz BQOHAXSUTRWPQO-GBPQWNHNSA-N 1 0 377.405 -2.010 20 0 GAADRO COCCOCCOCCOCCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220514373 1074050140 /nfs/dbraw/zinc/05/01/40/1074050140.db2.gz JEAIQLKBSUKSEV-UHFFFAOYSA-N 1 0 385.483 -1.981 20 0 GAADRO COCCOCCOCCOCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220514466 1074050094 /nfs/dbraw/zinc/05/00/94/1074050094.db2.gz MCWDZJAYGFSLGP-STQMWFEESA-N 1 0 392.453 -2.494 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)C2([NH3+])CC2)[C@H]1O ZINC001220514727 1074050152 /nfs/dbraw/zinc/05/01/52/1074050152.db2.gz UOAKBHQVBLKESI-RSVSFAPFSA-N 1 0 377.405 -1.881 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2CC[C@@H]2[NH3+])[C@H]1O ZINC001220514832 1074050314 /nfs/dbraw/zinc/05/03/14/1074050314.db2.gz VTOJBBYOCLHHNQ-QEHBGEGTSA-N 1 0 391.432 -1.635 20 0 GAADRO C[C@@H](C[NH3+])C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001220514982 1074050176 /nfs/dbraw/zinc/05/01/76/1074050176.db2.gz YJAMDJPBBPLCGZ-GBPQWNHNSA-N 1 0 379.421 -1.778 20 0 GAADRO C[NH2+]CCC(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001220515003 1074050362 /nfs/dbraw/zinc/05/03/62/1074050362.db2.gz ZNPXXNKJERVBHE-NZLORHDLSA-N 1 0 379.421 -1.763 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cccc2ccnn21 ZINC001220554019 1074051190 /nfs/dbraw/zinc/05/11/90/1074051190.db2.gz XKALVGLQQCMGBP-UHFFFAOYSA-N 1 0 375.389 -2.742 20 0 GAADRO Cc1cc(C)cc([C@@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001220557658 1074051267 /nfs/dbraw/zinc/05/12/67/1074051267.db2.gz ROXMGKCTZOICNW-CYBMUJFWSA-N 1 0 377.445 -1.212 20 0 GAADRO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220567930 1074051577 /nfs/dbraw/zinc/05/15/77/1074051577.db2.gz QSBQQXXRNZIQHN-DRZSPHRISA-N 1 0 379.417 -1.621 20 0 GAADRO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220567931 1074051225 /nfs/dbraw/zinc/05/12/25/1074051225.db2.gz QSBQQXXRNZIQHN-WCFLWFBJSA-N 1 0 379.417 -1.621 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(F)(F)c1ccccn1 ZINC001220571185 1074051349 /nfs/dbraw/zinc/05/13/49/1074051349.db2.gz LGFVTCMEKRHLDT-UHFFFAOYSA-N 1 0 386.359 -2.403 20 0 GAADRO COC(=O)CNC(=O)CNC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001220574509 1074051397 /nfs/dbraw/zinc/05/13/97/1074051397.db2.gz AIEDVDQKGHQNHG-CYBMUJFWSA-N 1 0 396.469 -1.231 20 0 GAADRO COC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220575464 1074051492 /nfs/dbraw/zinc/05/14/92/1074051492.db2.gz INTFKMVFNBBPJC-AWEZNQCLSA-N 1 0 389.412 -1.441 20 0 GAADRO COC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220576023 1074051547 /nfs/dbraw/zinc/05/15/47/1074051547.db2.gz PPTPYTDEBOSICG-RYUDHWBXSA-N 1 0 386.449 -1.475 20 0 GAADRO COC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001220576356 1074051256 /nfs/dbraw/zinc/05/12/56/1074051256.db2.gz YIWDDJYYYOGGGA-GJZGRUSLSA-N 1 0 390.440 -1.129 20 0 GAADRO C[C@H](CCc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220577493 1074051163 /nfs/dbraw/zinc/05/11/63/1074051163.db2.gz UHNUFXPOEVWUCD-CYBMUJFWSA-N 1 0 377.445 -1.569 20 0 GAADRO CNC(=O)CN1CCC(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001220580548 1074051423 /nfs/dbraw/zinc/05/14/23/1074051423.db2.gz QDKDTPOPKSPFIN-MAUKXSAKSA-N 1 0 383.493 -1.278 20 0 GAADRO COC(=O)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(F)(F)F ZINC001220587328 1074051837 /nfs/dbraw/zinc/05/18/37/1074051837.db2.gz AMYWZIPPLIDMIV-JTQLQIEISA-N 1 0 385.299 -3.486 20 0 GAADRO COC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(F)(F)F ZINC001220587329 1074052060 /nfs/dbraw/zinc/05/20/60/1074052060.db2.gz AMYWZIPPLIDMIV-SNVBAGLBSA-N 1 0 385.299 -3.486 20 0 GAADRO COC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(F)(F)F ZINC001220588264 1074052147 /nfs/dbraw/zinc/05/21/47/1074052147.db2.gz SBKAACDTGWOZFM-NRPADANISA-N 1 0 382.339 -1.339 20 0 GAADRO COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(F)(F)F ZINC001220588272 1074051949 /nfs/dbraw/zinc/05/19/49/1074051949.db2.gz SBKAACDTGWOZFM-OYNCUSHFSA-N 1 0 382.339 -1.339 20 0 GAADRO CN1CCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1=O ZINC001220589554 1074052021 /nfs/dbraw/zinc/05/20/21/1074052021.db2.gz COAPFCMCZVQRJR-KKUMJFAQSA-N 1 0 378.429 -1.524 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](c1ccccc1F)C1CC1 ZINC001220594387 1074051896 /nfs/dbraw/zinc/05/18/96/1074051896.db2.gz AZLQNZQPGCTPDD-GOSISDBHSA-N 1 0 393.419 -1.300 20 0 GAADRO CC(=O)N1CC(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001220599561 1074052094 /nfs/dbraw/zinc/05/20/94/1074052094.db2.gz XWPJCUUVKQRGEC-GJZGRUSLSA-N 1 0 381.477 -1.268 20 0 GAADRO O=C(NC1CCN(S(=O)(=O)c2ccccn2)CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220621781 1074051812 /nfs/dbraw/zinc/05/18/12/1074051812.db2.gz DIDYTCBRSKFOPL-AWEZNQCLSA-N 1 0 395.485 -1.319 20 0 GAADRO O=C(NC1CCN(S(=O)(=O)c2ccccn2)CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220621787 1074051775 /nfs/dbraw/zinc/05/17/75/1074051775.db2.gz DIDYTCBRSKFOPL-CQSZACIVSA-N 1 0 395.485 -1.319 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220622440 1074051754 /nfs/dbraw/zinc/05/17/54/1074051754.db2.gz OLZWRDBGMNAHHC-AAEUAGOBSA-N 1 0 399.473 -1.825 20 0 GAADRO COC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220628270 1074051930 /nfs/dbraw/zinc/05/19/30/1074051930.db2.gz WSNOZRFETACRJQ-FNFWKMNBSA-N 1 0 378.429 -1.016 20 0 GAADRO COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220628271 1074052037 /nfs/dbraw/zinc/05/20/37/1074052037.db2.gz WSNOZRFETACRJQ-RRUGBERISA-N 1 0 378.429 -1.016 20 0 GAADRO Cn1nc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2ccccc21 ZINC001220631154 1074052640 /nfs/dbraw/zinc/05/26/40/1074052640.db2.gz AHNSSDCBMAOFSH-UHFFFAOYSA-N 1 0 389.416 -2.503 20 0 GAADRO COc1ccc2c(c1)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001220634730 1074052421 /nfs/dbraw/zinc/05/24/21/1074052421.db2.gz SICQDNVNJCGONK-AWEZNQCLSA-N 1 0 391.428 -1.894 20 0 GAADRO CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccccc1OC ZINC001220635782 1074052530 /nfs/dbraw/zinc/05/25/30/1074052530.db2.gz PFDYFXKEGAAXPG-ZDUSSCGKSA-N 1 0 393.444 -1.430 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1COCc2ccccc21 ZINC001220658763 1074052611 /nfs/dbraw/zinc/05/26/11/1074052611.db2.gz WYOJXOLMRUCLFZ-CYBMUJFWSA-N 1 0 377.401 -2.319 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1COCc2ccccc21 ZINC001220658769 1074052366 /nfs/dbraw/zinc/05/23/66/1074052366.db2.gz WYOJXOLMRUCLFZ-ZDUSSCGKSA-N 1 0 377.401 -2.319 20 0 GAADRO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220661244 1074052552 /nfs/dbraw/zinc/05/25/52/1074052552.db2.gz VQOCXYASKSSGQP-MNOVXSKESA-N 1 0 385.421 -2.858 20 0 GAADRO COc1cc(F)cc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001220665751 1074052504 /nfs/dbraw/zinc/05/25/04/1074052504.db2.gz KFNBWMOHUSSXBO-UHFFFAOYSA-N 1 0 383.380 -2.242 20 0 GAADRO CCOC(=O)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H](C)CC ZINC001220665863 1074052594 /nfs/dbraw/zinc/05/25/94/1074052594.db2.gz MVBZUGZYWLGAIB-ZUZCIYMTSA-N 1 0 387.437 -2.612 20 0 GAADRO CC(C)(F)c1ncncc1CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220674065 1074052574 /nfs/dbraw/zinc/05/25/74/1074052574.db2.gz RZNOPMVNFOBBIK-UHFFFAOYSA-N 1 0 397.411 -2.395 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc2ocnc2c1 ZINC001220678694 1074052660 /nfs/dbraw/zinc/05/26/60/1074052660.db2.gz IVTQVIRPYRJRLQ-UHFFFAOYSA-N 1 0 376.373 -2.249 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCOc1cccc(F)c1 ZINC001220685450 1074052728 /nfs/dbraw/zinc/05/27/28/1074052728.db2.gz XQFOJYSVLVIVKI-UHFFFAOYSA-N 1 0 397.407 -1.982 20 0 GAADRO CC(C)(CC(=O)N1CCCC1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220687753 1074052442 /nfs/dbraw/zinc/05/24/42/1074052442.db2.gz SOZWYJQODVCJIA-UHFFFAOYSA-N 1 0 398.464 -2.799 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1Oc2ccccc2O1 ZINC001220709207 1074052479 /nfs/dbraw/zinc/05/24/79/1074052479.db2.gz SWHSQTJYGKZHLQ-UHFFFAOYSA-N 1 0 379.373 -2.793 20 0 GAADRO CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccccn1 ZINC001220718517 1074052626 /nfs/dbraw/zinc/05/26/26/1074052626.db2.gz BHTNJHYWYRTHQU-AWEZNQCLSA-N 1 0 392.460 -1.408 20 0 GAADRO CC(C)C[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccccn1 ZINC001220718518 1074052402 /nfs/dbraw/zinc/05/24/02/1074052402.db2.gz BHTNJHYWYRTHQU-CQSZACIVSA-N 1 0 392.460 -1.408 20 0 GAADRO C[C@@H]1COCCN1CCNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220723454 1074052736 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C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCN1CCC(F)(F)C1 ZINC001220808414 1074054061 /nfs/dbraw/zinc/05/40/61/1074054061.db2.gz ORVSOUTUWPVSPF-RYUDHWBXSA-N 1 0 375.420 -1.102 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cc(F)cnc1Cl ZINC001220811232 1074054086 /nfs/dbraw/zinc/05/40/86/1074054086.db2.gz ZJKNEFLURYQAIK-UHFFFAOYSA-N 1 0 388.787 -2.202 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1sccc1Cl ZINC001220821188 1074053872 /nfs/dbraw/zinc/05/38/72/1074053872.db2.gz ARWXFIHKLAJIRM-UHFFFAOYSA-N 1 0 375.838 -1.675 20 0 GAADRO COc1ccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(OC)n1 ZINC001220823239 1074053999 /nfs/dbraw/zinc/05/39/99/1074053999.db2.gz ALWRAZQUPXNMJI-UHFFFAOYSA-N 1 0 396.404 -2.978 20 0 GAADRO CCOC(=O)C1=C(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[NH2+]C1 ZINC001220825654 1074053935 /nfs/dbraw/zinc/05/39/35/1074053935.db2.gz PUPGEPMYKNENJR-UHFFFAOYSA-N 1 0 376.373 -2.030 20 0 GAADRO COC(=O)c1cncc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001220843090 1074054584 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CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889351 1074054594 /nfs/dbraw/zinc/05/45/94/1074054594.db2.gz JNOPBIUUOUKFSQ-PMPSAXMXSA-N 1 0 393.488 -1.027 20 0 GAADRO CCC(=O)N1CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001220907551 1074054946 /nfs/dbraw/zinc/05/49/46/1074054946.db2.gz WXQXLNBUNAUVDD-BPUTZDHNSA-N 1 0 392.456 -1.134 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCN(C(=O)NC2CCCC2)CC1 ZINC001220909129 1074055010 /nfs/dbraw/zinc/05/50/10/1074055010.db2.gz LHOZRJZAJIAJQC-FZMZJTMJSA-N 1 0 396.492 -1.073 20 0 GAADRO CCN(CC)C(=O)N1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001220912954 1074054973 /nfs/dbraw/zinc/05/49/73/1074054973.db2.gz CEFAFNNZIMHOGZ-AAEUAGOBSA-N 1 0 384.481 -1.264 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001220920710 1074054856 /nfs/dbraw/zinc/05/48/56/1074054856.db2.gz KTMQJAOSWQJLRP-MJVIPROJSA-N 1 0 393.419 -1.136 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001220923780 1074054908 /nfs/dbraw/zinc/05/49/08/1074054908.db2.gz JMULQWRQSPFXDV-UHTWSYAYSA-N 1 0 376.417 -1.880 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001220926402 1074054931 /nfs/dbraw/zinc/05/49/31/1074054931.db2.gz KKWQRPURYUKTEY-ONGXEEELSA-N 1 0 377.467 -2.518 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220928052 1074054784 /nfs/dbraw/zinc/05/47/84/1074054784.db2.gz FOUVOIVOGOVDQY-WFASDCNBSA-N 1 0 377.445 -1.126 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC1CCN(c2ncccn2)CC1 ZINC001220929486 1074055077 /nfs/dbraw/zinc/05/50/77/1074055077.db2.gz AIMHZTSWICPLRX-AAEUAGOBSA-N 1 0 377.449 -1.483 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC1CCN(c2cnccn2)CC1 ZINC001220933070 1074055612 /nfs/dbraw/zinc/05/56/12/1074055612.db2.gz UZJOQLCQUPMMCJ-AAEUAGOBSA-N 1 0 377.449 -1.483 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220933887 1074055278 /nfs/dbraw/zinc/05/52/78/1074055278.db2.gz FEGSNDQVERFYQK-GFCCVEGCSA-N 1 0 391.432 -2.916 20 0 GAADRO COCc1ccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001220934712 1074055452 /nfs/dbraw/zinc/05/54/52/1074055452.db2.gz ULMIQGKVFUCUPR-UHFFFAOYSA-N 1 0 379.417 -2.244 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1(Cc2ccccn2)CCOCC1 ZINC001220949246 1074055305 /nfs/dbraw/zinc/05/53/05/1074055305.db2.gz WHNJUTMZEWADKZ-JSGCOSHPSA-N 1 0 377.445 -1.003 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCc2nccnc21 ZINC001220950993 1074055565 /nfs/dbraw/zinc/05/55/65/1074055565.db2.gz MUYORZJOQCTGRU-LLVKDONJSA-N 1 0 377.405 -2.723 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CCCc2nccnc21 ZINC001220950994 1074055673 /nfs/dbraw/zinc/05/56/73/1074055673.db2.gz MUYORZJOQCTGRU-NSHDSACASA-N 1 0 377.405 -2.723 20 0 GAADRO COc1ccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nc1OC ZINC001220955597 1074055598 /nfs/dbraw/zinc/05/55/98/1074055598.db2.gz LZCUBOXFMVYNPM-UHFFFAOYSA-N 1 0 396.404 -2.978 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC001220956331 1074055585 /nfs/dbraw/zinc/05/55/85/1074055585.db2.gz ZCLFCWOIOJCBTB-LLVKDONJSA-N 1 0 397.819 -1.803 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC001220956332 1074055428 /nfs/dbraw/zinc/05/54/28/1074055428.db2.gz ZCLFCWOIOJCBTB-NSHDSACASA-N 1 0 397.819 -1.803 20 0 GAADRO Cc1ccccc1CC(C)(C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220958876 1074055511 /nfs/dbraw/zinc/05/55/11/1074055511.db2.gz UDMGDLSVVJHONX-UHFFFAOYSA-N 1 0 391.472 -1.260 20 0 GAADRO Cc1cc2c(cn1)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001220959841 1074055404 /nfs/dbraw/zinc/05/54/04/1074055404.db2.gz ADPOCIALQVYBGC-CYBMUJFWSA-N 1 0 376.417 -2.199 20 0 GAADRO Cc1cc2c(cn1)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001220959842 1074055377 /nfs/dbraw/zinc/05/53/77/1074055377.db2.gz ADPOCIALQVYBGC-ZDUSSCGKSA-N 1 0 376.417 -2.199 20 0 GAADRO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220961013 1074055329 /nfs/dbraw/zinc/05/53/29/1074055329.db2.gz XTTSQELKDPSJHJ-CRWXNKLISA-N 1 0 398.460 -1.475 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])Cc3cncn3C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966754 1074055539 /nfs/dbraw/zinc/05/55/39/1074055539.db2.gz FCTMMHFXIAYLGP-IGQOVBAYSA-N 1 0 392.416 -1.675 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966798 1074056040 /nfs/dbraw/zinc/05/60/40/1074056040.db2.gz GMOMSTFUTLCONK-QEHJDLSMSA-N 1 0 379.417 -2.028 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])C3CCC(O)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966820 1074055931 /nfs/dbraw/zinc/05/59/31/1074055931.db2.gz HFNDWRIQOLEUER-YLYKNQGUSA-N 1 0 396.444 -1.100 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966875 1074055935 /nfs/dbraw/zinc/05/59/35/1074055935.db2.gz JOFOYKPXJZXOMI-SMRJSSSNSA-N 1 0 379.417 -1.756 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966909 1074055913 /nfs/dbraw/zinc/05/59/13/1074055913.db2.gz KSNSDGQLQCRGOR-WUHRBBMRSA-N 1 0 378.389 -1.685 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@H]([NH3+])Cc3cnc[nH]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966910 1074055983 /nfs/dbraw/zinc/05/59/83/1074055983.db2.gz KSNSDGQLQCRGOR-YVECIDJPSA-N 1 0 378.389 -1.685 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4CC[NH2+]C[C@H]4O3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966922 1074055876 /nfs/dbraw/zinc/05/58/76/1074055876.db2.gz LBVDSWWYDJOWJZ-PKCACUDHSA-N 1 0 394.428 -1.211 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)CNC3CC[NH2+]CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966969 1074056106 /nfs/dbraw/zinc/05/61/06/1074056106.db2.gz MXOFSZSTBHEFKA-GZBFAFLISA-N 1 0 381.433 -1.636 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967019 1074056021 /nfs/dbraw/zinc/05/60/21/1074056021.db2.gz OTQKECCOUOOUIA-CIQGVGRVSA-N 1 0 395.416 -2.028 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967031 1074056085 /nfs/dbraw/zinc/05/60/85/1074056085.db2.gz OZLHXWQSUMPRDV-OECBLFJXSA-N 1 0 388.446 -1.882 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967032 1074056065 /nfs/dbraw/zinc/05/60/65/1074056065.db2.gz OZLHXWQSUMPRDV-SKIIFESRSA-N 1 0 388.446 -1.882 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)CCCCNC(N)=[NH2+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967073 1074056052 /nfs/dbraw/zinc/05/60/52/1074056052.db2.gz QTQRCFZOXHGADW-DMDPSCGWSA-N 1 0 382.421 -1.325 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@]34C[NH2+]C[C@H]3CCN4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967185 1074056126 /nfs/dbraw/zinc/05/61/26/1074056126.db2.gz VDGDWMYVSQEGCT-CTPFVTRSSA-N 1 0 379.417 -2.027 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967186 1074056177 /nfs/dbraw/zinc/05/61/77/1074056177.db2.gz VDGDWMYVSQEGCT-OSFKPRLVSA-N 1 0 379.417 -2.027 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@@]34C[NH2+]C[C@H]3CCN4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967187 1074056617 /nfs/dbraw/zinc/05/66/17/1074056617.db2.gz VDGDWMYVSQEGCT-QMZWZUABSA-N 1 0 379.417 -2.027 20 0 GAADRO Cc1cn([C@H]2C[C@H](NC(=O)[C@]34C[NH2+]C[C@@H]3CCN4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967188 1074056652 /nfs/dbraw/zinc/05/66/52/1074056652.db2.gz VDGDWMYVSQEGCT-ZJAHRSJLSA-N 1 0 379.417 -2.027 20 0 GAADRO CC(C)Oc1nccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001220988112 1074056459 /nfs/dbraw/zinc/05/64/59/1074056459.db2.gz HJXQBBUNCBSSQD-UHFFFAOYSA-N 1 0 395.420 -2.813 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1CN(c2ncnc3ccccc32)C1 ZINC001220988836 1074056681 /nfs/dbraw/zinc/05/66/81/1074056681.db2.gz YBAOBSOAKHZRLL-HZMBPMFUSA-N 1 0 385.428 -1.358 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc(N2CCOCC2=O)c1 ZINC001220990350 1074056634 /nfs/dbraw/zinc/05/66/34/1074056634.db2.gz JDGIAIDLFVVJAW-FZMZJTMJSA-N 1 0 391.428 -1.627 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1cccc(N2CCOCC2=O)c1 ZINC001220990634 1074056507 /nfs/dbraw/zinc/05/65/07/1074056507.db2.gz SLCLTHBHFQCWDO-UHFFFAOYSA-N 1 0 384.458 -1.114 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1(c2cnccn2)CC1 ZINC001220992087 1074056424 /nfs/dbraw/zinc/05/64/24/1074056424.db2.gz DDMBBENNMJAGDX-UHFFFAOYSA-N 1 0 377.405 -3.068 20 0 GAADRO Cc1cccc(C(C)(C)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001220995269 1074056596 /nfs/dbraw/zinc/05/65/96/1074056596.db2.gz VGXSCJKIPZKRJT-UHFFFAOYSA-N 1 0 392.460 -1.909 20 0 GAADRO CC(C)CC1(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCOCC1 ZINC001221001534 1074057060 /nfs/dbraw/zinc/05/70/60/1074057060.db2.gz YNVBVMJOXLRNID-UHFFFAOYSA-N 1 0 385.465 -1.995 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221003592 1074057252 /nfs/dbraw/zinc/05/72/52/1074057252.db2.gz CXKOWSUXERFARJ-PEDHHIEDSA-N 1 0 397.476 -1.584 20 0 GAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221004629 1074057207 /nfs/dbraw/zinc/05/72/07/1074057207.db2.gz QKWPRUANJQYXAZ-IHRRRGAJSA-N 1 0 390.506 -1.071 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ncn2ccccc12 ZINC001221007897 1074056995 /nfs/dbraw/zinc/05/69/95/1074056995.db2.gz GVLJUXUUEVSURQ-UHFFFAOYSA-N 1 0 375.389 -2.742 20 0 GAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCCc1nncs1 ZINC001221013772 1074057032 /nfs/dbraw/zinc/05/70/32/1074057032.db2.gz WXEMBBZUCGZVNR-STQMWFEESA-N 1 0 379.442 -1.051 20 0 GAADRO COC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(N)=O ZINC001221018825 1074057217 /nfs/dbraw/zinc/05/72/17/1074057217.db2.gz KOPOHDLLSYFDHN-DCAQKATOSA-N 1 0 385.421 -2.636 20 0 GAADRO COC(=O)CC[C@H](NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)C(N)=O ZINC001221019409 1074057187 /nfs/dbraw/zinc/05/71/87/1074057187.db2.gz VYLBYQXRUCOWAA-MNOVXSKESA-N 1 0 375.447 -1.676 20 0 GAADRO COC(=O)CC[C@H](NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)C(N)=O ZINC001221019412 1074056961 /nfs/dbraw/zinc/05/69/61/1074056961.db2.gz VYLBYQXRUCOWAA-QWRGUYRKSA-N 1 0 375.447 -1.676 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cncn1C1CCC1 ZINC001221023910 1074057162 /nfs/dbraw/zinc/05/71/62/1074057162.db2.gz VFGWDWGZSSCCOK-UHFFFAOYSA-N 1 0 379.421 -2.468 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cn(CC2CC2)cn1 ZINC001221024074 1074057229 /nfs/dbraw/zinc/05/72/29/1074057229.db2.gz XLKWEZBZJMNWLX-UHFFFAOYSA-N 1 0 379.421 -2.783 20 0 GAADRO COCCC1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CCS(=O)(=O)CC1 ZINC001221028068 1074057117 /nfs/dbraw/zinc/05/71/17/1074057117.db2.gz DSWDAUIWAZVAKD-QWRGUYRKSA-N 1 0 392.478 -2.206 20 0 GAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028487 1074056904 /nfs/dbraw/zinc/05/69/04/1074056904.db2.gz SQOWSPRWTJDFNE-JSGCOSHPSA-N 1 0 398.485 -1.488 20 0 GAADRO COCCC1(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)CCS(=O)(=O)CC1 ZINC001221028616 1074056972 /nfs/dbraw/zinc/05/69/72/1074056972.db2.gz WTXBVCUVFLFPDQ-AWEZNQCLSA-N 1 0 376.523 -1.163 20 0 GAADRO COCCC1(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)CCS(=O)(=O)CC1 ZINC001221028617 1074057151 /nfs/dbraw/zinc/05/71/51/1074057151.db2.gz WTXBVCUVFLFPDQ-CQSZACIVSA-N 1 0 376.523 -1.163 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](c1cncc(F)c1)C1CC1 ZINC001221049091 1074057134 /nfs/dbraw/zinc/05/71/34/1074057134.db2.gz MCHHQRKFCSRGBD-KRWDZBQOSA-N 1 0 394.407 -1.905 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](c1cncc(F)c1)C1CC1 ZINC001221049092 1074057242 /nfs/dbraw/zinc/05/72/42/1074057242.db2.gz MCHHQRKFCSRGBD-QGZVFWFLSA-N 1 0 394.407 -1.905 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](c1ccnc(F)c1)C1CC1 ZINC001221053434 1074057665 /nfs/dbraw/zinc/05/76/65/1074057665.db2.gz AZOWGQNAHGGMQL-KRWDZBQOSA-N 1 0 394.407 -1.905 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](c1ccnc(F)c1)C1CC1 ZINC001221053435 1074057615 /nfs/dbraw/zinc/05/76/15/1074057615.db2.gz AZOWGQNAHGGMQL-QGZVFWFLSA-N 1 0 394.407 -1.905 20 0 GAADRO COc1cccc(CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1 ZINC001221060939 1074057541 /nfs/dbraw/zinc/05/75/41/1074057541.db2.gz UOPJBTPMWKFWQZ-GWCFXTLKSA-N 1 0 379.417 -1.865 20 0 GAADRO CCC1(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC(F)(F)CC1 ZINC001221067648 1074057527 /nfs/dbraw/zinc/05/75/27/1074057527.db2.gz DONOKHKKIOLDTL-UHFFFAOYSA-N 1 0 391.419 -1.232 20 0 GAADRO CCC(CC)[C@@H](NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068407 1074057578 /nfs/dbraw/zinc/05/75/78/1074057578.db2.gz XJBAICGHVLHQLT-UQHOVQSVSA-N 1 0 397.480 -1.512 20 0 GAADRO CCC(CC)[C@@H](NC(=O)CN1CCNCC1=O)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070005 1074057594 /nfs/dbraw/zinc/05/75/94/1074057594.db2.gz BBFTXCTUUKDBGE-NYMASUJMSA-N 1 0 398.504 -1.164 20 0 GAADRO CCOc1ccc([C@@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001221084829 1074057675 /nfs/dbraw/zinc/05/76/75/1074057675.db2.gz URBUCJRPMRSFQR-GFCCVEGCSA-N 1 0 393.444 -1.430 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@H]1CCc2ccccc21 ZINC001221100700 1074057683 /nfs/dbraw/zinc/05/76/83/1074057683.db2.gz OALKEJLJGXANAS-CYBMUJFWSA-N 1 0 375.429 -1.860 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCc2ccccc21 ZINC001221100701 1074057473 /nfs/dbraw/zinc/05/74/73/1074057473.db2.gz OALKEJLJGXANAS-ZDUSSCGKSA-N 1 0 375.429 -1.860 20 0 GAADRO CC1(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC(F)(F)CC1 ZINC001221108475 1074057693 /nfs/dbraw/zinc/05/76/93/1074057693.db2.gz WDCUCYOIGGFCDL-UHFFFAOYSA-N 1 0 391.419 -1.375 20 0 GAADRO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148789 1074058122 /nfs/dbraw/zinc/05/81/22/1074058122.db2.gz PCMDSDVWTHNDRH-LBPRGKRZSA-N 1 0 380.434 -1.984 20 0 GAADRO CC(C)n1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1=O ZINC001221151992 1074058286 /nfs/dbraw/zinc/05/82/86/1074058286.db2.gz QCUYJVMJQNLHPT-UHFFFAOYSA-N 1 0 380.405 -2.325 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001221153948 1074058031 /nfs/dbraw/zinc/05/80/31/1074058031.db2.gz VSUZUKMBDQFIHG-JQWIXIFHSA-N 1 0 391.432 -1.675 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CCCNC2=O)cc1 ZINC001221155479 1074058014 /nfs/dbraw/zinc/05/80/14/1074058014.db2.gz MFUQPTICNLPOBD-FZMZJTMJSA-N 1 0 390.444 -1.070 20 0 GAADRO Cc1ccccc1C(C)(C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221169965 1074058066 /nfs/dbraw/zinc/05/80/66/1074058066.db2.gz AWYFAVBOIOYKTC-UHFFFAOYSA-N 1 0 377.445 -1.346 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC1(c2ccncc2)CCOCC1 ZINC001221174459 1074058222 /nfs/dbraw/zinc/05/82/22/1074058222.db2.gz CSYQMEXRGUFNCR-JSGCOSHPSA-N 1 0 377.445 -1.047 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1(c2ccc(F)cn2)CC1 ZINC001221174776 1074058346 /nfs/dbraw/zinc/05/83/46/1074058346.db2.gz QDBBEGDMJXRPTC-UHFFFAOYSA-N 1 0 394.407 -2.324 20 0 GAADRO COCC1(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCOCC1 ZINC001221176770 1074058152 /nfs/dbraw/zinc/05/81/52/1074058152.db2.gz MHSKJTAEDJTFFM-UHFFFAOYSA-N 1 0 387.437 -3.147 20 0 GAADRO CC(C)CC1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CCS(=O)(=O)CC1 ZINC001221217125 1074058245 /nfs/dbraw/zinc/05/82/45/1074058245.db2.gz WZXGUKCGELJRBC-RYUDHWBXSA-N 1 0 390.506 -1.197 20 0 GAADRO COC(=O)[C@@](C)(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(F)(F)F ZINC001221218660 1074057997 /nfs/dbraw/zinc/05/79/97/1074057997.db2.gz BYAHRRCBWUIKHF-GFCCVEGCSA-N 1 0 399.326 -3.096 20 0 GAADRO COC(=O)[C@](C)(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(F)(F)F ZINC001221218661 1074058704 /nfs/dbraw/zinc/05/87/04/1074058704.db2.gz BYAHRRCBWUIKHF-LBPRGKRZSA-N 1 0 399.326 -3.096 20 0 GAADRO CC(C)(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC(F)(F)F ZINC001221219246 1074058794 /nfs/dbraw/zinc/05/87/94/1074058794.db2.gz QZNJLGCQQVZAJW-UHFFFAOYSA-N 1 0 383.371 -1.612 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](c1ncccc1F)C1CC1 ZINC001221219327 1074058961 /nfs/dbraw/zinc/05/89/61/1074058961.db2.gz SZNIVWMINLYAPR-INIZCTEOSA-N 1 0 394.407 -1.905 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](c1ncccc1F)C1CC1 ZINC001221219328 1074058969 /nfs/dbraw/zinc/05/89/69/1074058969.db2.gz SZNIVWMINLYAPR-MRXNPFEDSA-N 1 0 394.407 -1.905 20 0 GAADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)[NH3+])C(N)=O ZINC001221232681 1074058753 /nfs/dbraw/zinc/05/87/53/1074058753.db2.gz NMONLWFGSKRCMX-WOPDTQHZSA-N 1 0 389.522 -1.296 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cc2ccccn2n1 ZINC001221234962 1074058950 /nfs/dbraw/zinc/05/89/50/1074058950.db2.gz PIBWAEKIPIFJHR-UHFFFAOYSA-N 1 0 375.389 -2.742 20 0 GAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NC1CN(C2COC2)C1 ZINC001221246138 1074058639 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NEPMSNDMVWQAQR-IEAZIUSSSA-N 1 0 388.428 -1.810 20 0 GAADRO COc1ccc2c(C[C@H]([NH3+])C(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)cc(=O)oc2c1 ZINC001221265597 1074058725 /nfs/dbraw/zinc/05/87/25/1074058725.db2.gz NEPMSNDMVWQAQR-NKKGCODLSA-N 1 0 388.428 -1.810 20 0 GAADRO COc1ccc2c(C[C@H]([NH3+])C(=O)N3CN[C@H](N)[C@@H]4NCN[C@@H]43)cc(=O)oc2c1 ZINC001221265598 1074058609 /nfs/dbraw/zinc/05/86/09/1074058609.db2.gz NEPMSNDMVWQAQR-OSMBCOQSSA-N 1 0 388.428 -1.810 20 0 GAADRO COc1ccc2c(C[C@H]([NH3+])C(=O)N3CN[C@H](N)[C@@H]4NCN[C@H]43)cc(=O)oc2c1 ZINC001221265599 1074058977 /nfs/dbraw/zinc/05/89/77/1074058977.db2.gz NEPMSNDMVWQAQR-STECZYCISA-N 1 0 388.428 -1.810 20 0 GAADRO CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)ccc2O1 ZINC001221266011 1074058868 /nfs/dbraw/zinc/05/88/68/1074058868.db2.gz RNJCTUSOKMZWQZ-DRPJVOAASA-N 1 0 376.461 -1.279 20 0 GAADRO CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)N3CN[C@H](N)[C@@H]4NCN[C@@H]43)ccc2O1 ZINC001221266016 1074058662 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1074059447 /nfs/dbraw/zinc/05/94/47/1074059447.db2.gz WNSQFQJQZNKWHQ-PDWCTOEPSA-N 1 0 383.497 -2.361 20 0 GAADRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221266481 1074059171 /nfs/dbraw/zinc/05/91/71/1074059171.db2.gz WNSQFQJQZNKWHQ-PEDHHIEDSA-N 1 0 383.497 -2.361 20 0 GAADRO CC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccc(F)c(F)c1 ZINC001221269151 1074059225 /nfs/dbraw/zinc/05/92/25/1074059225.db2.gz IGSAMNWXVUQZGV-CYBMUJFWSA-N 1 0 399.398 -1.161 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221278301 1074059486 /nfs/dbraw/zinc/05/94/86/1074059486.db2.gz NQDBAAGSDBDRNX-IUCAKERBSA-N 1 0 381.355 -1.765 20 0 GAADRO CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)N(C)C ZINC001221278462 1074059352 /nfs/dbraw/zinc/05/93/52/1074059352.db2.gz UIWCXXFVYGWQOW-BONVTDFDSA-N 1 0 386.453 -3.087 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCc2cnccc21 ZINC001221292922 1074059408 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1 0 379.461 -1.095 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cncc2ccccc21 ZINC001221333961 1074059267 /nfs/dbraw/zinc/05/92/67/1074059267.db2.gz WBTPWOKCEVWFSS-UHFFFAOYSA-N 1 0 386.412 -1.842 20 0 GAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H](O)CF)C(=O)CF ZINC001221335955 1074059288 /nfs/dbraw/zinc/05/92/88/1074059288.db2.gz CMELPWLFJYANFV-MIJXAVMKSA-N 1 0 394.419 -1.666 20 0 GAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H](O)CF)C(=O)CF ZINC001221335957 1074059096 /nfs/dbraw/zinc/05/90/96/1074059096.db2.gz CMELPWLFJYANFV-RMIALFOJSA-N 1 0 394.419 -1.666 20 0 GAADRO COc1cnccc1CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221336005 1074059325 /nfs/dbraw/zinc/05/93/25/1074059325.db2.gz JXDPCBNVBMQBPD-UHFFFAOYSA-N 1 0 380.405 -2.944 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCN1CCCS1(=O)=O ZINC001221337060 1074060050 /nfs/dbraw/zinc/06/00/50/1074060050.db2.gz ORJICHCEQIVIQH-UHFFFAOYSA-N 1 0 392.438 -4.555 20 0 GAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221338104 1074059818 /nfs/dbraw/zinc/05/98/18/1074059818.db2.gz XWEQHWVKRNHAHP-RYUDHWBXSA-N 1 0 389.478 -2.408 20 0 GAADRO C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347622 1074059950 /nfs/dbraw/zinc/05/99/50/1074059950.db2.gz AQRFCKVHNMNNRH-DILDSQINSA-N 1 0 398.489 -1.991 20 0 GAADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347632 1074059924 /nfs/dbraw/zinc/05/99/24/1074059924.db2.gz AQRFCKVHNMNNRH-DYSICVKHSA-N 1 0 398.489 -1.991 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1(N)CC[NH2+]CC1 ZINC001221347701 1074059833 /nfs/dbraw/zinc/05/98/33/1074059833.db2.gz BKLYRXLFBQBVCU-STQMWFEESA-N 1 0 377.449 -2.006 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC1CC[NH2+]CC1 ZINC001221347709 1074059847 /nfs/dbraw/zinc/05/98/47/1074059847.db2.gz BPCFKSUGKFRAJJ-GJZGRUSLSA-N 1 0 391.476 -1.745 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001221347734 1074060066 /nfs/dbraw/zinc/06/00/66/1074060066.db2.gz BXGTVXRZCKSDMB-CRWXNKLISA-N 1 0 380.424 -1.139 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001221347735 1074060152 /nfs/dbraw/zinc/06/01/52/1074060152.db2.gz BXGTVXRZCKSDMB-MQYQWHSLSA-N 1 0 380.424 -1.139 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001221347736 1074059753 /nfs/dbraw/zinc/05/97/53/1074059753.db2.gz BXGTVXRZCKSDMB-RFGFWPKPSA-N 1 0 380.424 -1.139 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001221347737 1074059862 /nfs/dbraw/zinc/05/98/62/1074059862.db2.gz BXGTVXRZCKSDMB-XUXIUFHCSA-N 1 0 380.424 -1.139 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001221348812 1074060017 /nfs/dbraw/zinc/06/00/17/1074060017.db2.gz NHZWMVDKLHCQKE-FHPUCTQPSA-N 1 0 389.460 -1.865 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CC[NH2+]CC1 ZINC001221349191 1074060613 /nfs/dbraw/zinc/06/06/13/1074060613.db2.gz SWWDXFOZOSROTR-KBPBESRZSA-N 1 0 377.449 -2.182 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001221349239 1074060644 /nfs/dbraw/zinc/06/06/44/1074060644.db2.gz ULZJUNWLFQWHPN-DCGLDWPTSA-N 1 0 377.449 -2.006 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001221349240 1074060356 /nfs/dbraw/zinc/06/03/56/1074060356.db2.gz ULZJUNWLFQWHPN-GDZNZVCISA-N 1 0 377.449 -2.006 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221349379 1074060381 /nfs/dbraw/zinc/06/03/81/1074060381.db2.gz WQKOYPXDAMQKOR-RCXZEQIESA-N 1 0 389.460 -2.137 20 0 GAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCC[NH3+] ZINC001221349425 1074060536 /nfs/dbraw/zinc/06/05/36/1074060536.db2.gz WQZVJULKGDBRRO-GJZGRUSLSA-N 1 0 381.477 -1.040 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221349597 1074060475 /nfs/dbraw/zinc/06/04/75/1074060475.db2.gz ZGTIRODBYWQSRL-CQEJWKIFSA-N 1 0 389.460 -2.135 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221349598 1074060575 /nfs/dbraw/zinc/06/05/75/1074060575.db2.gz ZGTIRODBYWQSRL-DGBRYZOVSA-N 1 0 389.460 -2.135 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221349607 1074060338 /nfs/dbraw/zinc/06/03/38/1074060338.db2.gz ZGTIRODBYWQSRL-NLNKHKNDSA-N 1 0 389.460 -2.135 20 0 GAADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221349608 1074060414 /nfs/dbraw/zinc/06/04/14/1074060414.db2.gz ZGTIRODBYWQSRL-ZLJVHPLZSA-N 1 0 389.460 -2.135 20 0 GAADRO C[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350895 1074060374 /nfs/dbraw/zinc/06/03/74/1074060374.db2.gz ZYYJVCCCWYAAOE-QWRGUYRKSA-N 1 0 394.494 -1.442 20 0 GAADRO COC(=O)c1ccc([C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc1 ZINC001221366851 1074061013 /nfs/dbraw/zinc/06/10/13/1074061013.db2.gz USBYSZODHFMXCO-XDTLVQLUSA-N 1 0 380.401 -1.670 20 0 GAADRO COC(=O)C12CCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])(CC1)C2 ZINC001221367172 1074061146 /nfs/dbraw/zinc/06/11/46/1074061146.db2.gz ZLABKLSMEUNHDC-UHFFFAOYSA-N 1 0 397.432 -2.714 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@@H]1CNC(=O)O1 ZINC001221368943 1074061045 /nfs/dbraw/zinc/06/10/45/1074061045.db2.gz ISPWFJORCLAFOK-AGIUHOORSA-N 1 0 383.449 -1.390 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1CNC(=O)O1 ZINC001221368945 1074061035 /nfs/dbraw/zinc/06/10/35/1074061035.db2.gz ISPWFJORCLAFOK-AVGNSLFASA-N 1 0 383.449 -1.390 20 0 GAADRO CC[C@@H](CO)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001221380943 1074060932 /nfs/dbraw/zinc/06/09/32/1074060932.db2.gz WEIXLSMODCFFAX-ASHKBJFXSA-N 1 0 390.456 -1.225 20 0 GAADRO CC[C@H](CO)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001221380948 1074061078 /nfs/dbraw/zinc/06/10/78/1074061078.db2.gz WEIXLSMODCFFAX-OXIQGZBJSA-N 1 0 390.456 -1.225 20 0 GAADRO CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1cccnc1 ZINC001221383211 1074060995 /nfs/dbraw/zinc/06/09/95/1074060995.db2.gz WNBSUUIRHSYSRM-KRWDZBQOSA-N 1 0 378.433 -1.798 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCc1ccc(C(=O)N(C)C)cc1 ZINC001221393039 1074061472 /nfs/dbraw/zinc/06/14/72/1074061472.db2.gz QYEKBDMWSGAZOM-FZMZJTMJSA-N 1 0 377.445 -1.246 20 0 GAADRO CC(C)(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1cc(Cl)ccn1 ZINC001221393654 1074061417 /nfs/dbraw/zinc/06/14/17/1074061417.db2.gz KXWNJQMPDZWROB-UHFFFAOYSA-N 1 0 398.851 -1.606 20 0 GAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCC(=O)c1cccnc1 ZINC001221394552 1074061394 /nfs/dbraw/zinc/06/13/94/1074061394.db2.gz QZRDPNCNLYJKGP-UHFFFAOYSA-N 1 0 392.416 -2.532 20 0 GAADRO Cn1ncc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)c(Br)c1=O ZINC001221402052 1074061699 /nfs/dbraw/zinc/06/16/99/1074061699.db2.gz UBNHZHDMMYEFKQ-UHFFFAOYSA-N 1 0 382.240 -1.298 20 0 GAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnn(C)c(=O)c1Br ZINC001221402186 1074061713 /nfs/dbraw/zinc/06/17/13/1074061713.db2.gz XYDQOZQSSIKLJG-WDSKDSINSA-N 1 0 389.210 -1.811 20 0 GAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC(O)(c2ncnn2C)C1 ZINC001221639449 1074062186 /nfs/dbraw/zinc/06/21/86/1074062186.db2.gz OMHPYZFLIILSPV-CYBMUJFWSA-N 1 0 379.465 -1.029 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC(O)(c2ncnn2C)C1 ZINC001221639450 1074062010 /nfs/dbraw/zinc/06/20/10/1074062010.db2.gz OMHPYZFLIILSPV-ZDUSSCGKSA-N 1 0 379.465 -1.029 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H](O)CS(C)(=O)=O)CC1 ZINC001221774569 1074062488 /nfs/dbraw/zinc/06/24/88/1074062488.db2.gz MIYUQAQNWQWFSK-CYBMUJFWSA-N 1 0 378.495 -1.366 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H](O)CS(C)(=O)=O)CC1 ZINC001221774570 1074062635 /nfs/dbraw/zinc/06/26/35/1074062635.db2.gz MIYUQAQNWQWFSK-ZDUSSCGKSA-N 1 0 378.495 -1.366 20 0 GAADRO CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001221811662 1074062698 /nfs/dbraw/zinc/06/26/98/1074062698.db2.gz DONYJKJNERUZSR-LVQVYYBASA-N 1 0 382.461 -1.295 20 0 GAADRO CNS(=O)(=O)NC1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC001221816892 1074062993 /nfs/dbraw/zinc/06/29/93/1074062993.db2.gz GGCMFSBUJGZJTA-CYBMUJFWSA-N 1 0 376.527 -1.150 20 0 GAADRO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC001221816893 1074063155 /nfs/dbraw/zinc/06/31/55/1074063155.db2.gz GGCMFSBUJGZJTA-ZDUSSCGKSA-N 1 0 376.527 -1.150 20 0 GAADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC001226058966 1074067788 /nfs/dbraw/zinc/06/77/88/1074067788.db2.gz ZFYRNONTGWZYII-UHFFFAOYSA-N 1 0 380.493 -1.066 20 0 GAADRO CC(C)(CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)NS(C)(=O)=O ZINC001226798562 1074068407 /nfs/dbraw/zinc/06/84/07/1074068407.db2.gz SITUJIDJFHYXMK-SWLSCSKDSA-N 1 0 378.495 -1.161 20 0 GAADRO NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001227354430 1074069151 /nfs/dbraw/zinc/06/91/51/1074069151.db2.gz BSROLDTVENXTBK-CABCVRRESA-N 1 0 389.522 -1.287 20 0 GAADRO NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001227354440 1074068952 /nfs/dbraw/zinc/06/89/52/1074068952.db2.gz BSROLDTVENXTBK-GJZGRUSLSA-N 1 0 389.522 -1.287 20 0 GAADRO NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001227354441 1074069172 /nfs/dbraw/zinc/06/91/72/1074069172.db2.gz BSROLDTVENXTBK-HUUCEWRRSA-N 1 0 389.522 -1.287 20 0 GAADRO NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001227354443 1074068926 /nfs/dbraw/zinc/06/89/26/1074068926.db2.gz BSROLDTVENXTBK-LSDHHAIUSA-N 1 0 389.522 -1.287 20 0 GAADRO CNC(=O)NC[C@H]1COCCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001227964515 1074070512 /nfs/dbraw/zinc/07/05/12/1074070512.db2.gz DNHQIPQADXPGOB-KBPBESRZSA-N 1 0 384.481 -1.087 20 0 GAADRO CNC(=O)NC[C@H]1COCCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001227964535 1074070518 /nfs/dbraw/zinc/07/05/18/1074070518.db2.gz DNHQIPQADXPGOB-KGLIPLIRSA-N 1 0 384.481 -1.087 20 0 GAADRO CNC(=O)NC[C@@H]1COCCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001227964537 1074070491 /nfs/dbraw/zinc/07/04/91/1074070491.db2.gz DNHQIPQADXPGOB-UONOGXRCSA-N 1 0 384.481 -1.087 20 0 GAADRO CNC(=O)NC[C@@H]1COCCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001227964539 1074070427 /nfs/dbraw/zinc/07/04/27/1074070427.db2.gz DNHQIPQADXPGOB-ZIAGYGMSSA-N 1 0 384.481 -1.087 20 0 GAADRO CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)S(C)(=O)=O ZINC001228583895 1074071458 /nfs/dbraw/zinc/07/14/58/1074071458.db2.gz CCTGRPCVIXTBIO-YIYPIFLZSA-N 1 0 390.506 -1.072 20 0 GAADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001228584892 1074071538 /nfs/dbraw/zinc/07/15/38/1074071538.db2.gz OBGXHSUJIMWYMF-YIYPIFLZSA-N 1 0 390.506 -1.024 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001228586000 1074071511 /nfs/dbraw/zinc/07/15/11/1074071511.db2.gz XUDNYVDEPCGNCD-FVCCEPFGSA-N 1 0 383.449 -1.118 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001228586080 1074071423 /nfs/dbraw/zinc/07/14/23/1074071423.db2.gz ZADNRXNHWQZSIE-FVCCEPFGSA-N 1 0 376.479 -1.415 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001228632116 1074071485 /nfs/dbraw/zinc/07/14/85/1074071485.db2.gz CIYQHSRCBVWVPS-LXTVHRRPSA-N 1 0 393.488 -1.137 20 0 GAADRO C[NH+]1CCC(CNC(=O)NC[C@H](O)CS(C)(=O)=O)(N2CCOCC2)CC1 ZINC001230074567 1074072927 /nfs/dbraw/zinc/07/29/27/1074072927.db2.gz SUBWQFHTFQQXSJ-AWEZNQCLSA-N 1 0 392.522 -1.512 20 0 GAADRO C[NH+]1CCC(CNC(=O)NC[C@@H](O)CS(C)(=O)=O)(N2CCOCC2)CC1 ZINC001230074568 1074073031 /nfs/dbraw/zinc/07/30/31/1074073031.db2.gz SUBWQFHTFQQXSJ-CQSZACIVSA-N 1 0 392.522 -1.512 20 0 GAADRO NS(=O)(=O)CCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001230469373 1074073886 /nfs/dbraw/zinc/07/38/86/1074073886.db2.gz KYZKDGFMLNDQRW-AWEZNQCLSA-N 1 0 377.511 -1.239 20 0 GAADRO NS(=O)(=O)CCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001230469376 1074073863 /nfs/dbraw/zinc/07/38/63/1074073863.db2.gz KYZKDGFMLNDQRW-CQSZACIVSA-N 1 0 377.511 -1.239 20 0 GAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001230956167 1074074492 /nfs/dbraw/zinc/07/44/92/1074074492.db2.gz PLRCZBRRVOCSPO-HNNXBMFYSA-N 1 0 380.493 -1.068 20 0 GAADRO Cn1ccn2c(CCNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)nnc2c1=O ZINC001230964515 1074074448 /nfs/dbraw/zinc/07/44/48/1074074448.db2.gz AVJJXLYANAUSBH-LBPRGKRZSA-N 1 0 390.448 -1.391 20 0 GAADRO CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1=O ZINC001231766618 1074076639 /nfs/dbraw/zinc/07/66/39/1074076639.db2.gz BXBAWUOQALHJQU-IBGZPJMESA-N 1 0 391.472 -1.013 20 0 GAADRO CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)C1=O ZINC001231766625 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UADLMCHYRNAAHR-UHFFFAOYSA-N 1 0 388.446 -1.105 20 0 GAADRO [NH3+]CCOCCOCCOCCOCCOCCn1cc(CCO)nn1 ZINC001246057570 1074095148 /nfs/dbraw/zinc/09/51/48/1074095148.db2.gz BCRDWJKJWLBHHJ-UHFFFAOYSA-N 1 0 376.454 -1.145 20 0 GAADRO COC(=O)[C@H](CC[S@@](C)=O)NCc1cn(CCOCCOCC[NH3+])nn1 ZINC001246066129 1074095533 /nfs/dbraw/zinc/09/55/33/1074095533.db2.gz GFYQJIXLODJURS-RMKBEBRYSA-N 1 0 391.494 -1.330 20 0 GAADRO COC(=O)[C@H](CC[S@](C)=O)NCc1cn(CCOCCOCC[NH3+])nn1 ZINC001246066134 1074095671 /nfs/dbraw/zinc/09/56/71/1074095671.db2.gz GFYQJIXLODJURS-RXBISOJRSA-N 1 0 391.494 -1.330 20 0 GAADRO O=C([C@@H]1C[C@@H](NCCS(=O)(=O)N2CCNCC2)C[NH2+]1)N1CCSC1 ZINC001246098716 1074095682 /nfs/dbraw/zinc/09/56/82/1074095682.db2.gz DFSIDQLERKHAAT-OLZOCXBDSA-N 1 0 377.536 -1.926 20 0 GAADRO O=C([C@@H]1C[C@H](NCCS(=O)(=O)N2CCNCC2)C[NH2+]1)N1CCSC1 ZINC001246098728 1074095640 /nfs/dbraw/zinc/09/56/40/1074095640.db2.gz DFSIDQLERKHAAT-STQMWFEESA-N 1 0 377.536 -1.926 20 0 GAADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246214274 1074095747 /nfs/dbraw/zinc/09/57/47/1074095747.db2.gz UZKNCJUXTNQIFQ-VEBKFKNKSA-N 1 0 375.433 -1.100 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N[C@H]2CCC[NH2+]C2)[C@H]1O ZINC001246282992 1074096018 /nfs/dbraw/zinc/09/60/18/1074096018.db2.gz DHDFSAOWYOIHKK-GCXGIZPZSA-N 1 0 377.449 -1.147 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N[C@@H]2CCC[NH2+]C2)[C@H]1O ZINC001246283041 1074095986 /nfs/dbraw/zinc/09/59/86/1074095986.db2.gz DHDFSAOWYOIHKK-JZLXNPJKSA-N 1 0 377.449 -1.147 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CCNC(=O)C2)[C@H]1O ZINC001246283177 1074096258 /nfs/dbraw/zinc/09/62/58/1074096258.db2.gz FQBWGFGAEJWBSI-FJIUSIIDSA-N 1 0 391.432 -1.620 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CCNC(=O)C2)[C@H]1O ZINC001246283758 1074095961 /nfs/dbraw/zinc/09/59/61/1074095961.db2.gz FQBWGFGAEJWBSI-RUEZXQRGSA-N 1 0 391.432 -1.620 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CNC(=O)C2)[C@H]1O ZINC001246288339 1074096139 /nfs/dbraw/zinc/09/61/39/1074096139.db2.gz LZGASFGXZLBQQL-IVFRLUQZSA-N 1 0 377.405 -2.010 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CNC(=O)C2)[C@H]1O ZINC001246288343 1074096057 /nfs/dbraw/zinc/09/60/57/1074096057.db2.gz LZGASFGXZLBQQL-KSUZXNIZSA-N 1 0 377.405 -2.010 20 0 GAADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC2CC[NH2+]CC2)[C@H]1O ZINC001246293010 1074096173 /nfs/dbraw/zinc/09/61/73/1074096173.db2.gz ZQYUWBAFUQVBEB-CTWCOEIASA-N 1 0 377.449 -1.147 20 0 GAADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CN1 ZINC001246375797 1074096002 /nfs/dbraw/zinc/09/60/02/1074096002.db2.gz QZUCOFKKDYWWHM-MBJXGIAVSA-N 1 0 382.417 -1.211 20 0 GAADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CN1 ZINC001246375798 1074096021 /nfs/dbraw/zinc/09/60/21/1074096021.db2.gz QZUCOFKKDYWWHM-QSLWVIQJSA-N 1 0 382.417 -1.211 20 0 GAADRO COC(=O)[C@@H]1C[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CN1 ZINC001246376218 1074096026 /nfs/dbraw/zinc/09/60/26/1074096026.db2.gz UOXBRTUJLIEVOZ-LADJIXMOSA-N 1 0 393.404 -2.142 20 0 GAADRO COC(=O)[C@@H]1C[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CN1 ZINC001246376219 1074096209 /nfs/dbraw/zinc/09/62/09/1074096209.db2.gz UOXBRTUJLIEVOZ-ZKKRXERASA-N 1 0 393.404 -2.142 20 0 GAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246479642 1074096595 /nfs/dbraw/zinc/09/65/95/1074096595.db2.gz FKBWGFSGBBWSKH-NWBUJAPZSA-N 1 0 386.449 -1.560 20 0 GAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246479647 1074096464 /nfs/dbraw/zinc/09/64/64/1074096464.db2.gz FKBWGFSGBBWSKH-VLJOUNFMSA-N 1 0 386.449 -1.560 20 0 GAADRO COC(=O)[C@@H]1CC[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CN1 ZINC001246482217 1074096930 /nfs/dbraw/zinc/09/69/30/1074096930.db2.gz LVHRJTXBQGBUTJ-MXAVVETBSA-N 1 0 392.460 -1.305 20 0 GAADRO COC(=O)[C@@H]1CC[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CN1 ZINC001246482221 1074096889 /nfs/dbraw/zinc/09/68/89/1074096889.db2.gz LVHRJTXBQGBUTJ-UNQGMJICSA-N 1 0 392.460 -1.305 20 0 GAADRO COC(=O)[C@@H]1C[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CN1 ZINC001246482623 1074096951 /nfs/dbraw/zinc/09/69/51/1074096951.db2.gz PAISAWCHYAYIFJ-RFGFWPKPSA-N 1 0 378.433 -1.695 20 0 GAADRO COC(=O)[C@@H]1C[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CN1 ZINC001246482624 1074097124 /nfs/dbraw/zinc/09/71/24/1074097124.db2.gz PAISAWCHYAYIFJ-XUXIUFHCSA-N 1 0 378.433 -1.695 20 0 GAADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)CN1 ZINC001246488525 1074097056 /nfs/dbraw/zinc/09/70/56/1074097056.db2.gz PJNYJRJUXSLNGQ-QEJZJMRPSA-N 1 0 378.429 -1.212 20 0 GAADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)CN1 ZINC001246488526 1074097110 /nfs/dbraw/zinc/09/71/10/1074097110.db2.gz PJNYJRJUXSLNGQ-SNPRPXQTSA-N 1 0 378.429 -1.212 20 0 GAADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1O ZINC001246495615 1074096979 /nfs/dbraw/zinc/09/69/79/1074096979.db2.gz ZOMPXWOQVOMETB-VEBKFKNKSA-N 1 0 375.433 -1.100 20 0 GAADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CN1 ZINC001246514880 1074096872 /nfs/dbraw/zinc/09/68/72/1074096872.db2.gz AJVLSLHHZAVCTH-UGUYLWEFSA-N 1 0 392.456 -1.557 20 0 GAADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CN1 ZINC001246514883 1074096910 /nfs/dbraw/zinc/09/69/10/1074096910.db2.gz AJVLSLHHZAVCTH-VGWMRTNUSA-N 1 0 392.456 -1.557 20 0 GAADRO COC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CN1 ZINC001246515580 1074097085 /nfs/dbraw/zinc/09/70/85/1074097085.db2.gz CJSHSENSHGMOIS-QEJZJMRPSA-N 1 0 378.429 -1.212 20 0 GAADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CN1 ZINC001246515581 1074097097 /nfs/dbraw/zinc/09/70/97/1074097097.db2.gz CJSHSENSHGMOIS-SNPRPXQTSA-N 1 0 378.429 -1.212 20 0 GAADRO COC(=O)[C@H](CCCC[NH2+][C@@H]1CN[C@H](C(=O)OC)C1)NC(=O)CNC(C)=O ZINC001246517608 1074097070 /nfs/dbraw/zinc/09/70/70/1074097070.db2.gz DUUJMMAKEUTSMO-IHRRRGAJSA-N 1 0 386.449 -1.556 20 0 GAADRO COC(=O)[C@H](CCCC[NH2+][C@H]1CN[C@H](C(=O)OC)C1)NC(=O)CNC(C)=O ZINC001246517614 1074097047 /nfs/dbraw/zinc/09/70/47/1074097047.db2.gz DUUJMMAKEUTSMO-RDBSUJKOSA-N 1 0 386.449 -1.556 20 0 GAADRO COC(=O)[C@@H]1C[C@@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)CN1 ZINC001246697626 1074097844 /nfs/dbraw/zinc/09/78/44/1074097844.db2.gz SWGRXORNLMCSMB-CBBWQLFWSA-N 1 0 385.490 -1.142 20 0 GAADRO COC(=O)[C@@H]1C[C@H](N([C@@H]2CC[NH2+][C@H]2Cc2cnn(C)c2)S(C)(=O)=O)CN1 ZINC001246697628 1074097729 /nfs/dbraw/zinc/09/77/29/1074097729.db2.gz SWGRXORNLMCSMB-ZQDZILKHSA-N 1 0 385.490 -1.142 20 0 GAADRO Cn1cc(N2C[C@@]3(COCCN([C@@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751966 1074097993 /nfs/dbraw/zinc/09/79/93/1074097993.db2.gz XRNSGNNESYWURW-BEFAXECRSA-N 1 0 390.488 -1.052 20 0 GAADRO Cn1cc(N2C[C@]3(COCCN([C@@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751970 1074097866 /nfs/dbraw/zinc/09/78/66/1074097866.db2.gz XRNSGNNESYWURW-DNVCBOLYSA-N 1 0 390.488 -1.052 20 0 GAADRO Cn1cc(N2C[C@]3(COCCN([C@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751972 1074097925 /nfs/dbraw/zinc/09/79/25/1074097925.db2.gz XRNSGNNESYWURW-HNAYVOBHSA-N 1 0 390.488 -1.052 20 0 GAADRO Cn1cc(N2C[C@@]3(COCCN([C@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751974 1074097805 /nfs/dbraw/zinc/09/78/05/1074097805.db2.gz XRNSGNNESYWURW-KXBFYZLASA-N 1 0 390.488 -1.052 20 0 GAADRO CS(=O)(=O)N(Cc1cc(=O)n2c(n1)CNCCC2)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754926 1074098404 /nfs/dbraw/zinc/09/84/04/1074098404.db2.gz OUTQPPAQRJFQFH-AWEZNQCLSA-N 1 0 396.517 -1.408 20 0 GAADRO CS(=O)(=O)N(Cc1cc(=O)n2c(n1)CNCCC2)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754938 1074098467 /nfs/dbraw/zinc/09/84/67/1074098467.db2.gz OUTQPPAQRJFQFH-CQSZACIVSA-N 1 0 396.517 -1.408 20 0 GAADRO O=C(CNC(=O)NCc1nnc2n1CCNC2=O)NCC[NH+]1CCCCCC1 ZINC001246797439 1074098358 /nfs/dbraw/zinc/09/83/58/1074098358.db2.gz ARTXYCICRLEXJJ-UHFFFAOYSA-N 1 0 392.464 -1.187 20 0 GAADRO CN1CC[NH+](C2CCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)CC1 ZINC001246799151 1074098438 /nfs/dbraw/zinc/09/84/38/1074098438.db2.gz FQGUGLXNSPNTBQ-UHFFFAOYSA-N 1 0 376.465 -1.057 20 0 GAADRO C[NH+]1CCN(c2cccc(-c3noc([C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@H]4O)n3)c2)CC1 ZINC001247607189 1074098790 /nfs/dbraw/zinc/09/87/90/1074098790.db2.gz BKXJVYWXHVCHQE-CIBFVHANSA-N 1 0 392.412 -1.039 20 0 GAADRO C[NH+]1CCN(c2cccc(-c3noc([C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@H]4O)n3)c2)CC1 ZINC001247607190 1074098854 /nfs/dbraw/zinc/09/88/54/1074098854.db2.gz BKXJVYWXHVCHQE-KIBLCYBISA-N 1 0 392.412 -1.039 20 0 GAADRO C[NH+]1CCN(c2ccc(-c3noc(C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n3)cc2)CC1 ZINC001247610569 1074099031 /nfs/dbraw/zinc/09/90/31/1074099031.db2.gz KALHVOMGBZWCIW-QLFBSQMISA-N 1 0 392.412 -1.254 20 0 GAADRO C[NH+]1CCN(c2ccc(-c3noc(C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n3)cc2)CC1 ZINC001247610575 1074099489 /nfs/dbraw/zinc/09/94/89/1074099489.db2.gz KALHVOMGBZWCIW-RBSFLKMASA-N 1 0 392.412 -1.254 20 0 GAADRO C[NH+]1CCN(c2ccc(-c3noc(C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n3)cc2)CC1 ZINC001247610577 1074099305 /nfs/dbraw/zinc/09/93/05/1074099305.db2.gz KALHVOMGBZWCIW-RRFJBIMHSA-N 1 0 392.412 -1.254 20 0 GAADRO C[NH+]1CCN(c2ccc(-c3noc(C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)n3)cc2)CC1 ZINC001247610580 1074099255 /nfs/dbraw/zinc/09/92/55/1074099255.db2.gz KALHVOMGBZWCIW-SOUVJXGZSA-N 1 0 392.412 -1.254 20 0 GAADRO C[NH+]1CCN(c2ccccc2-c2noc([C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)n2)CC1 ZINC001247610889 1074099465 /nfs/dbraw/zinc/09/94/65/1074099465.db2.gz UZWNBGVNNAKSEB-CIBFVHANSA-N 1 0 392.412 -1.039 20 0 GAADRO C[NH+]1CCN(c2ccccc2-c2noc([C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)n2)CC1 ZINC001247610891 1074099383 /nfs/dbraw/zinc/09/93/83/1074099383.db2.gz UZWNBGVNNAKSEB-KIBLCYBISA-N 1 0 392.412 -1.039 20 0 GAADRO C[NH+]1CCN(c2cccc(-c3noc(C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n3)c2)CC1 ZINC001247611183 1074099520 /nfs/dbraw/zinc/09/95/20/1074099520.db2.gz LJCJPHOPRBTBHH-QLFBSQMISA-N 1 0 392.412 -1.254 20 0 GAADRO C[NH+]1CCN(c2cccc(-c3noc(C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n3)c2)CC1 ZINC001247611185 1074099367 /nfs/dbraw/zinc/09/93/67/1074099367.db2.gz LJCJPHOPRBTBHH-RBSFLKMASA-N 1 0 392.412 -1.254 20 0 GAADRO C[NH+]1CCN(c2cccc(-c3noc(C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n3)c2)CC1 ZINC001247611187 1074099331 /nfs/dbraw/zinc/09/93/31/1074099331.db2.gz LJCJPHOPRBTBHH-RRFJBIMHSA-N 1 0 392.412 -1.254 20 0 GAADRO C[NH+]1CCN(c2cccc(-c3noc(C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)n3)c2)CC1 ZINC001247611189 1074099401 /nfs/dbraw/zinc/09/94/01/1074099401.db2.gz LJCJPHOPRBTBHH-SOUVJXGZSA-N 1 0 392.412 -1.254 20 0 GAADRO C[NH+]1CCN(c2ccc(-c3noc([C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@H]4O)n3)cc2)CC1 ZINC001247611976 1074099878 /nfs/dbraw/zinc/09/98/78/1074099878.db2.gz YVHAQXGDAQEGEA-CIBFVHANSA-N 1 0 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COC(=O)[C@H](O)C[NH2+]CCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001252444752 1074117333 /nfs/dbraw/zinc/11/73/33/1074117333.db2.gz ITIVQURGPIEUJZ-OPDFLTKYSA-N 1 0 388.490 -1.048 20 0 GAADRO COCCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)C(=O)OC ZINC001252448551 1074117308 /nfs/dbraw/zinc/11/73/08/1074117308.db2.gz JCXYFZHKTRCFHQ-INIZCTEOSA-N 1 0 397.465 -1.161 20 0 GAADRO COCCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)C(=O)OC ZINC001252448552 1074117245 /nfs/dbraw/zinc/11/72/45/1074117245.db2.gz JCXYFZHKTRCFHQ-MRXNPFEDSA-N 1 0 397.465 -1.161 20 0 GAADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NC(CO)CO)cc2)CC1 ZINC001252606339 1074117847 /nfs/dbraw/zinc/11/78/47/1074117847.db2.gz FPWRHOQTKHOQGP-UHFFFAOYSA-N 1 0 380.445 -1.279 20 0 GAADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C[C@H](O)COCc1ccco1 ZINC001252661526 1074118317 /nfs/dbraw/zinc/11/83/17/1074118317.db2.gz FQGOBPNKZSMKHS-JSGCOSHPSA-N 1 0 382.417 -1.661 20 0 GAADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC001252661527 1074118306 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GSQOZXJVJUYUOP-GOSISDBHSA-N 1 0 377.445 -2.069 20 0 GAADRO NC(=O)CNC(=O)CNC(=O)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950835 1074120035 /nfs/dbraw/zinc/12/00/35/1074120035.db2.gz GSQOZXJVJUYUOP-SFHVURJKSA-N 1 0 377.445 -2.069 20 0 GAADRO CO[C@@]1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCS(=O)(=O)C1 ZINC001253025972 1074120603 /nfs/dbraw/zinc/12/06/03/1074120603.db2.gz BTDZPTFQHAGNNI-SWLSCSKDSA-N 1 0 376.479 -1.171 20 0 GAADRO CO[C@]1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCS(=O)(=O)C1 ZINC001253025973 1074120669 /nfs/dbraw/zinc/12/06/69/1074120669.db2.gz BTDZPTFQHAGNNI-WFASDCNBSA-N 1 0 376.479 -1.171 20 0 GAADRO CNS(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001253028159 1074120695 /nfs/dbraw/zinc/12/06/95/1074120695.db2.gz SXTMUADWUMHZDV-LBPRGKRZSA-N 1 0 376.483 -1.882 20 0 GAADRO CS(=O)(=O)C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC001253028629 1074120623 /nfs/dbraw/zinc/12/06/23/1074120623.db2.gz WRDDHBBOGLNAKG-OLZOCXBDSA-N 1 0 376.479 -1.219 20 0 GAADRO CS(=O)(=O)C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC001253028631 1074120688 /nfs/dbraw/zinc/12/06/88/1074120688.db2.gz WRDDHBBOGLNAKG-STQMWFEESA-N 1 0 376.479 -1.219 20 0 GAADRO COCCc1ccc(OC[C@@H](O)C[NH2+]CC(=O)NCC(=O)NCC(N)=O)cc1 ZINC001253077164 1074120657 /nfs/dbraw/zinc/12/06/57/1074120657.db2.gz LMDMIBFUCFLFEH-AWEZNQCLSA-N 1 0 396.444 -2.078 20 0 GAADRO COCCc1ccc(OC[C@H](O)C[NH2+]CC(=O)NCC(=O)NCC(N)=O)cc1 ZINC001253077165 1074120528 /nfs/dbraw/zinc/12/05/28/1074120528.db2.gz LMDMIBFUCFLFEH-CQSZACIVSA-N 1 0 396.444 -2.078 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@]2(O)CCSC2)cn1 ZINC001253183002 1074121246 /nfs/dbraw/zinc/12/12/46/1074121246.db2.gz XSFBZNCSDPOPHR-INIZCTEOSA-N 1 0 398.489 -1.516 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@]2(O)CCSC2)cn1 ZINC001253183003 1074121296 /nfs/dbraw/zinc/12/12/96/1074121296.db2.gz XSFBZNCSDPOPHR-MRXNPFEDSA-N 1 0 398.489 -1.516 20 0 GAADRO CC[NH+](CC)C[C@H](O)CN[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001253217262 1074121758 /nfs/dbraw/zinc/12/17/58/1074121758.db2.gz VKZSNBVIFVSMRQ-IKGGRYGDSA-N 1 0 380.489 -1.148 20 0 GAADRO CC[NH+](CC)C[C@@H](O)CN[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001253217263 1074121734 /nfs/dbraw/zinc/12/17/34/1074121734.db2.gz VKZSNBVIFVSMRQ-ULQDDVLXSA-N 1 0 380.489 -1.148 20 0 GAADRO COCC(=O)NC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC001253304308 1074122252 /nfs/dbraw/zinc/12/22/52/1074122252.db2.gz TXNQZGQZOLUKQE-UHFFFAOYSA-N 1 0 378.433 -1.339 20 0 GAADRO CC(C)(C)OC(=O)N1CCC(O)(C[C@@H](O)C[NH2+]CC(=O)NCC(N)=O)CC1 ZINC001253343280 1074122828 /nfs/dbraw/zinc/12/28/28/1074122828.db2.gz KRWANFDWKNQJCM-GFCCVEGCSA-N 1 0 388.465 -1.310 20 0 GAADRO CC(C)(C)OC(=O)N1CCC(O)(C[C@H](O)C[NH2+]CC(=O)NCC(N)=O)CC1 ZINC001253343281 1074122799 /nfs/dbraw/zinc/12/27/99/1074122799.db2.gz KRWANFDWKNQJCM-LBPRGKRZSA-N 1 0 388.465 -1.310 20 0 GAADRO CC(C)(C)OC(=O)N1CCC(O)(C[C@@H](O)C[NH2+][C@@H](CC(N)=O)C(N)=O)CC1 ZINC001253343314 1074122916 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KUACREAZQDKFON-QGZVFWFLSA-N 1 0 380.401 -2.212 20 0 GAADRO C[C@@H]1O[C@@H](OCC[NH2+]C[C@@](C)(O)C(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001253665302 1074126478 /nfs/dbraw/zinc/12/64/78/1074126478.db2.gz JLUVFNUFKOOQIO-CMWXJHACSA-N 1 0 399.440 -1.086 20 0 GAADRO C[C@@H]1O[C@@H](OCC[NH2+]C[C@](C)(O)C(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001253665335 1074126469 /nfs/dbraw/zinc/12/64/69/1074126469.db2.gz JLUVFNUFKOOQIO-UZFDJPQMSA-N 1 0 399.440 -1.086 20 0 GAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)C(=O)OC(C)(C)C ZINC001253713897 1074126925 /nfs/dbraw/zinc/12/69/25/1074126925.db2.gz MIOMMMSAOTWGDO-BJDJZHNGSA-N 1 0 389.449 -1.151 20 0 GAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253713898 1074126761 /nfs/dbraw/zinc/12/67/61/1074126761.db2.gz MIOMMMSAOTWGDO-FIQHERPVSA-N 1 0 389.449 -1.151 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001253744600 1074126882 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396.444 -1.479 20 0 GAADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)c1=O ZINC001254061445 1074130347 /nfs/dbraw/zinc/13/03/47/1074130347.db2.gz LBHAZRDBUOZTRY-HNNXBMFYSA-N 1 0 387.444 -1.129 20 0 GAADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)c1=O ZINC001254061446 1074130394 /nfs/dbraw/zinc/13/03/94/1074130394.db2.gz LBHAZRDBUOZTRY-OAHLLOKOSA-N 1 0 387.444 -1.129 20 0 GAADRO Cn1cnc2c1c(=O)n(Cc1cn(C[C@H]3CC4(C[NH2+]C4)CO3)nn1)c(=O)n2C ZINC001254066291 1074130488 /nfs/dbraw/zinc/13/04/88/1074130488.db2.gz LOCAAHGRKFZSEA-GFCCVEGCSA-N 1 0 386.416 -1.548 20 0 GAADRO Cn1cnc2c1c(=O)n(Cc1cn(C[C@@H]3CC4(C[NH2+]C4)CO3)nn1)c(=O)n2C ZINC001254066293 1074130596 /nfs/dbraw/zinc/13/05/96/1074130596.db2.gz LOCAAHGRKFZSEA-LBPRGKRZSA-N 1 0 386.416 -1.548 20 0 GAADRO C[NH+]1CCC(c2cn([C@]3(CO)O[C@@H]4[C@@H](Oc5nc(=O)ccn54)[C@@H]3O)nn2)CC1 ZINC001254105808 1074133492 /nfs/dbraw/zinc/13/34/92/1074133492.db2.gz UGFYAHNMAUPNMN-LJIGWXMPSA-N 1 0 390.400 -1.360 20 0 GAADRO 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385.421 -1.780 20 0 GAADRO O=S1(=O)CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCO)C1 ZINC001254320106 1074140255 /nfs/dbraw/zinc/14/02/55/1074140255.db2.gz LSAQDRFNJZEFMR-INIZCTEOSA-N 1 0 399.506 -1.162 20 0 GAADRO O=S1(=O)CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCO)C1 ZINC001254320110 1074140233 /nfs/dbraw/zinc/14/02/33/1074140233.db2.gz LSAQDRFNJZEFMR-MRXNPFEDSA-N 1 0 399.506 -1.162 20 0 GAADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1CCS(=O)(=O)C1 ZINC001254325507 1074140597 /nfs/dbraw/zinc/14/05/97/1074140597.db2.gz YBIKFVLKFGFLJX-AXTSPUMRSA-N 1 0 384.418 -1.858 20 0 GAADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1CCS(=O)(=O)C1 ZINC001254325508 1074140567 /nfs/dbraw/zinc/14/05/67/1074140567.db2.gz YBIKFVLKFGFLJX-UTINFBMNSA-N 1 0 384.418 -1.858 20 0 GAADRO COC(=O)[C@H](CCCC[NH2+][C@@H]1CCS(=O)(=O)C1)NC(=O)CNC(C)=O ZINC001254327312 1074141102 /nfs/dbraw/zinc/14/11/02/1074141102.db2.gz HXLRWBDOFIDMNW-OLZOCXBDSA-N 1 0 377.463 -1.273 20 0 GAADRO 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383.401 -1.111 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001257051452 1074163281 /nfs/dbraw/zinc/16/32/81/1074163281.db2.gz UTKMPWPKFCAHMY-CYBMUJFWSA-N 1 0 377.511 -1.217 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001257051465 1074163500 /nfs/dbraw/zinc/16/35/00/1074163500.db2.gz UTKMPWPKFCAHMY-ZDUSSCGKSA-N 1 0 377.511 -1.217 20 0 GAADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001257051790 1074163323 /nfs/dbraw/zinc/16/33/23/1074163323.db2.gz ZVPFLARJZFDYHR-AWEZNQCLSA-N 1 0 390.506 -1.387 20 0 GAADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001257051791 1074163427 /nfs/dbraw/zinc/16/34/27/1074163427.db2.gz ZVPFLARJZFDYHR-CQSZACIVSA-N 1 0 390.506 -1.387 20 0 GAADRO COCCN1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1=O ZINC001257074787 1074163349 /nfs/dbraw/zinc/16/33/49/1074163349.db2.gz ACVRSOGREFDJTI-UHFFFAOYSA-N 1 0 383.493 -1.553 20 0 GAADRO 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CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001261541418 1074230183 /nfs/dbraw/zinc/23/01/83/1074230183.db2.gz JFRBLFXCHGOVRU-CYBMUJFWSA-N 1 0 381.458 -1.120 20 0 GAADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001261541419 1074230101 /nfs/dbraw/zinc/23/01/01/1074230101.db2.gz JFRBLFXCHGOVRU-ZDUSSCGKSA-N 1 0 381.458 -1.120 20 0 GAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001261549391 1074231064 /nfs/dbraw/zinc/23/10/64/1074231064.db2.gz SNTPPZRWQSOANT-UHFFFAOYSA-N 1 0 390.448 -1.453 20 0 GAADRO Cc1nn(CC(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(=O)n1C ZINC001261553265 1074231376 /nfs/dbraw/zinc/23/13/76/1074231376.db2.gz VICJPDCWEDCDDV-KBPBESRZSA-N 1 0 377.449 -1.363 20 0 GAADRO Cc1nn(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(=O)n1C ZINC001261553266 1074231337 /nfs/dbraw/zinc/23/13/37/1074231337.db2.gz VICJPDCWEDCDDV-KGLIPLIRSA-N 1 0 377.449 -1.363 20 0 GAADRO Cc1nn(CC(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(=O)n1C ZINC001261553267 1074231385 /nfs/dbraw/zinc/23/13/85/1074231385.db2.gz VICJPDCWEDCDDV-UONOGXRCSA-N 1 0 377.449 -1.363 20 0 GAADRO Cc1nn(CC(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(=O)n1C ZINC001261553268 1074231326 /nfs/dbraw/zinc/23/13/26/1074231326.db2.gz VICJPDCWEDCDDV-ZIAGYGMSSA-N 1 0 377.449 -1.363 20 0 GAADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)C2)nn1 ZINC001261554383 1074231341 /nfs/dbraw/zinc/23/13/41/1074231341.db2.gz CMCKGJUDCDYNAX-KBPBESRZSA-N 1 0 391.432 -1.000 20 0 GAADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)C2)nn1 ZINC001261554384 1074231419 /nfs/dbraw/zinc/23/14/19/1074231419.db2.gz CMCKGJUDCDYNAX-KGLIPLIRSA-N 1 0 391.432 -1.000 20 0 GAADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)C2)nn1 ZINC001261554385 1074231392 /nfs/dbraw/zinc/23/13/92/1074231392.db2.gz CMCKGJUDCDYNAX-UONOGXRCSA-N 1 0 391.432 -1.000 20 0 GAADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)C2)nn1 ZINC001261554386 1074231408 /nfs/dbraw/zinc/23/14/08/1074231408.db2.gz CMCKGJUDCDYNAX-ZIAGYGMSSA-N 1 0 391.432 -1.000 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001261555519 1074231738 /nfs/dbraw/zinc/23/17/38/1074231738.db2.gz HPSRXRQNGNHJRU-UONOGXRCSA-N 1 0 395.460 -2.541 20 0 GAADRO Cn1cnnc1N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001261560018 1074232235 /nfs/dbraw/zinc/23/22/35/1074232235.db2.gz FEQNYVYGRURLRS-UHFFFAOYSA-N 1 0 392.508 -1.393 20 0 GAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC001261560925 1074232226 /nfs/dbraw/zinc/23/22/26/1074232226.db2.gz CNNZCCMIOZAGEN-GXTWGEPZSA-N 1 0 395.460 -1.211 20 0 GAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC001261560926 1074232294 /nfs/dbraw/zinc/23/22/94/1074232294.db2.gz CNNZCCMIOZAGEN-JSGCOSHPSA-N 1 0 395.460 -1.211 20 0 GAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC001261560927 1074232147 /nfs/dbraw/zinc/23/21/47/1074232147.db2.gz CNNZCCMIOZAGEN-OCCSQVGLSA-N 1 0 395.460 -1.211 20 0 GAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC001261560928 1074232253 /nfs/dbraw/zinc/23/22/53/1074232253.db2.gz CNNZCCMIOZAGEN-TZMCWYRMSA-N 1 0 395.460 -1.211 20 0 GAADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)CC2 ZINC001261563398 1074232127 /nfs/dbraw/zinc/23/21/27/1074232127.db2.gz HZHZSMAEKTYPGW-FRRDWIJNSA-N 1 0 378.433 -1.867 20 0 GAADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[N@@H+]3C[C@H](O)C[C@H]3C1)CC2 ZINC001261563399 1074232266 /nfs/dbraw/zinc/23/22/66/1074232266.db2.gz HZHZSMAEKTYPGW-RWMBFGLXSA-N 1 0 378.433 -1.867 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001261583388 1074233046 /nfs/dbraw/zinc/23/30/46/1074233046.db2.gz WJLZOBHIKMMWBI-QWHCGFSZSA-N 1 0 389.478 -2.786 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](CO)C2CCC2)cn1 ZINC001261603900 1074232995 /nfs/dbraw/zinc/23/29/95/1074232995.db2.gz ZVKWONXKJGKZCT-AWEZNQCLSA-N 1 0 380.449 -1.223 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](CO)C2CCC2)cn1 ZINC001261603901 1074233379 /nfs/dbraw/zinc/23/33/79/1074233379.db2.gz ZVKWONXKJGKZCT-CQSZACIVSA-N 1 0 380.449 -1.223 20 0 GAADRO Cn1cc([C@@H]2CN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)C[C@H]2[NH3+])cn1 ZINC001261604731 1074233368 /nfs/dbraw/zinc/23/33/68/1074233368.db2.gz QDMMDOIHDZBVNK-QWHCGFSZSA-N 1 0 392.507 -2.031 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC001261605376 1074233397 /nfs/dbraw/zinc/23/33/97/1074233397.db2.gz GGQFRLFSDUSROY-INIZCTEOSA-N 1 0 397.520 -1.212 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC001261605377 1074233452 /nfs/dbraw/zinc/23/34/52/1074233452.db2.gz GGQFRLFSDUSROY-MRXNPFEDSA-N 1 0 397.520 -1.212 20 0 GAADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001261607105 1074234243 /nfs/dbraw/zinc/23/42/43/1074234243.db2.gz AFBMIMYFUUPJMT-HNNXBMFYSA-N 1 0 384.477 -1.127 20 0 GAADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001261607106 1074234072 /nfs/dbraw/zinc/23/40/72/1074234072.db2.gz AFBMIMYFUUPJMT-OAHLLOKOSA-N 1 0 384.477 -1.127 20 0 GAADRO CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001261607268 1074234094 /nfs/dbraw/zinc/23/40/94/1074234094.db2.gz FBLCHJACOQZRJU-HNNXBMFYSA-N 1 0 381.477 -1.130 20 0 GAADRO CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001261607269 1074234122 /nfs/dbraw/zinc/23/41/22/1074234122.db2.gz FBLCHJACOQZRJU-OAHLLOKOSA-N 1 0 381.477 -1.130 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001261607623 1074234135 /nfs/dbraw/zinc/23/41/35/1074234135.db2.gz PHFDRJQBIFPQJB-CYBMUJFWSA-N 1 0 389.522 -1.074 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001261607624 1074234202 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JKNKPLLSLURNSY-OAHLLOKOSA-N 1 0 391.476 -1.479 20 0 GAADRO CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001261623353 1074236356 /nfs/dbraw/zinc/23/63/56/1074236356.db2.gz VCCVSYOVBNZJIK-OAHLLOKOSA-N 1 0 395.504 -1.018 20 0 GAADRO CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC001261624242 1074236308 /nfs/dbraw/zinc/23/63/08/1074236308.db2.gz PZOAUACUSHLPCN-HNNXBMFYSA-N 1 0 393.488 -1.168 20 0 GAADRO CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC001261624243 1074236245 /nfs/dbraw/zinc/23/62/45/1074236245.db2.gz PZOAUACUSHLPCN-OAHLLOKOSA-N 1 0 393.488 -1.168 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC001261628053 1074236649 /nfs/dbraw/zinc/23/66/49/1074236649.db2.gz OYSVFBNFEGDTOA-AWEZNQCLSA-N 1 0 389.522 -1.039 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC001261628054 1074236588 /nfs/dbraw/zinc/23/65/88/1074236588.db2.gz OYSVFBNFEGDTOA-CQSZACIVSA-N 1 0 389.522 -1.039 20 0 GAADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)CCO1 ZINC001261629317 1074236623 /nfs/dbraw/zinc/23/66/23/1074236623.db2.gz BBTRIYYGPWBSKO-CYBMUJFWSA-N 1 0 390.506 -1.165 20 0 GAADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)CCO1 ZINC001261629318 1074236763 /nfs/dbraw/zinc/23/67/63/1074236763.db2.gz BBTRIYYGPWBSKO-ZDUSSCGKSA-N 1 0 390.506 -1.165 20 0 GAADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001261630391 1074236633 /nfs/dbraw/zinc/23/66/33/1074236633.db2.gz LSLBULLMCBPUPL-UHFFFAOYSA-N 1 0 398.489 -1.091 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001261633065 1074237132 /nfs/dbraw/zinc/23/71/32/1074237132.db2.gz VCFZHZJHFGWOLY-MFOWVQHXSA-N 1 0 388.490 -1.541 20 0 GAADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001261633066 1074237163 /nfs/dbraw/zinc/23/71/63/1074237163.db2.gz VCFZHZJHFGWOLY-UYJPIKCFSA-N 1 0 388.490 -1.541 20 0 GAADRO CS(=O)(=O)C1(CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC001261633797 1074237091 /nfs/dbraw/zinc/23/70/91/1074237091.db2.gz PTBXURUPENLYHU-UHFFFAOYSA-N 1 0 388.490 -1.602 20 0 GAADRO O=C(CNC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)N1CC[NH2+]CC1 ZINC001261633874 1074237111 /nfs/dbraw/zinc/23/71/11/1074237111.db2.gz SKAGIICSFNPXTK-UHFFFAOYSA-N 1 0 388.368 -2.372 20 0 GAADRO C[C@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)S(C)(=O)=O ZINC001261634530 1074237119 /nfs/dbraw/zinc/23/71/19/1074237119.db2.gz IVXRCKIHIMKEPV-NXEZZACHSA-N 1 0 388.412 -1.512 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)S(C)(=O)=O ZINC001261634531 1074237155 /nfs/dbraw/zinc/23/71/55/1074237155.db2.gz IVXRCKIHIMKEPV-UWVGGRQHSA-N 1 0 388.412 -1.512 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)S(C)(=O)=O ZINC001261634532 1074237124 /nfs/dbraw/zinc/23/71/24/1074237124.db2.gz IVXRCKIHIMKEPV-VHSXEESVSA-N 1 0 388.412 -1.512 20 0 GAADRO C[C@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)S(C)(=O)=O ZINC001261634533 1074237160 /nfs/dbraw/zinc/23/71/60/1074237160.db2.gz IVXRCKIHIMKEPV-ZJUUUORDSA-N 1 0 388.412 -1.512 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001261634855 1074237134 /nfs/dbraw/zinc/23/71/34/1074237134.db2.gz PHRLESYZENTXDS-GFCCVEGCSA-N 1 0 377.467 -2.568 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001261634856 1074237229 /nfs/dbraw/zinc/23/72/29/1074237229.db2.gz PHRLESYZENTXDS-LBPRGKRZSA-N 1 0 377.467 -2.568 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC001261635317 1074237143 /nfs/dbraw/zinc/23/71/43/1074237143.db2.gz BAAJXBKEEVJLPH-UHFFFAOYSA-N 1 0 390.506 -1.115 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H](C(=O)OC)C2)CC1 ZINC001261636290 1074237672 /nfs/dbraw/zinc/23/76/72/1074237672.db2.gz FJZISEUPLBABRC-AWEZNQCLSA-N 1 0 398.460 -1.506 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C(=O)OC)C2)CC1 ZINC001261636291 1074237691 /nfs/dbraw/zinc/23/76/91/1074237691.db2.gz FJZISEUPLBABRC-CQSZACIVSA-N 1 0 398.460 -1.506 20 0 GAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001261636756 1074237632 /nfs/dbraw/zinc/23/76/32/1074237632.db2.gz VEWDVWLCQWKJAE-GFCCVEGCSA-N 1 0 377.467 -2.568 20 0 GAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001261636757 1074237570 /nfs/dbraw/zinc/23/75/70/1074237570.db2.gz VEWDVWLCQWKJAE-LBPRGKRZSA-N 1 0 377.467 -2.568 20 0 GAADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+]C2(C(N)=O)CCOCC2)CC1 ZINC001261641432 1074237619 /nfs/dbraw/zinc/23/76/19/1074237619.db2.gz FUWQHMLKHKURSP-UHFFFAOYSA-N 1 0 383.493 -1.331 20 0 GAADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC001261642493 1074237701 /nfs/dbraw/zinc/23/77/01/1074237701.db2.gz KPSYDTLEZDHXPP-GFCCVEGCSA-N 1 0 388.428 -1.080 20 0 GAADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC001261642494 1074237555 /nfs/dbraw/zinc/23/75/55/1074237555.db2.gz KPSYDTLEZDHXPP-LBPRGKRZSA-N 1 0 388.428 -1.080 20 0 GAADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001261642829 1074237649 /nfs/dbraw/zinc/23/76/49/1074237649.db2.gz WISXGFANHLBPOT-UHFFFAOYSA-N 1 0 375.433 -1.234 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001261643598 1074237663 /nfs/dbraw/zinc/23/76/63/1074237663.db2.gz YVWGTVGOJXKSNC-BBRMVZONSA-N 1 0 387.506 -1.476 20 0 GAADRO CN(C(=O)c1cn(CC[NH3+])nn1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001261644021 1074237603 /nfs/dbraw/zinc/23/76/03/1074237603.db2.gz NLYWJXMLGKSVLY-UHFFFAOYSA-N 1 0 392.508 -1.453 20 0 GAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCO1 ZINC001261644631 1074238151 /nfs/dbraw/zinc/23/81/51/1074238151.db2.gz HDCLJVYRAMWTNC-NEPJUHHUSA-N 1 0 377.467 -2.488 20 0 GAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCO1 ZINC001261644632 1074238124 /nfs/dbraw/zinc/23/81/24/1074238124.db2.gz HDCLJVYRAMWTNC-NWDGAFQWSA-N 1 0 377.467 -2.488 20 0 GAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCO1 ZINC001261644633 1074237985 /nfs/dbraw/zinc/23/79/85/1074237985.db2.gz HDCLJVYRAMWTNC-RYUDHWBXSA-N 1 0 377.467 -2.488 20 0 GAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCO1 ZINC001261644634 1074238069 /nfs/dbraw/zinc/23/80/69/1074238069.db2.gz HDCLJVYRAMWTNC-VXGBXAGGSA-N 1 0 377.467 -2.488 20 0 GAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC001261644953 1074238054 /nfs/dbraw/zinc/23/80/54/1074238054.db2.gz RFTPCONATVALQF-CABCVRRESA-N 1 0 393.488 -1.229 20 0 GAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC001261644954 1074238058 /nfs/dbraw/zinc/23/80/58/1074238058.db2.gz RFTPCONATVALQF-GJZGRUSLSA-N 1 0 393.488 -1.229 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC001261644955 1074238078 /nfs/dbraw/zinc/23/80/78/1074238078.db2.gz RFTPCONATVALQF-HUUCEWRRSA-N 1 0 393.488 -1.229 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC001261644956 1074238147 /nfs/dbraw/zinc/23/81/47/1074238147.db2.gz RFTPCONATVALQF-LSDHHAIUSA-N 1 0 393.488 -1.229 20 0 GAADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001261645015 1074238039 /nfs/dbraw/zinc/23/80/39/1074238039.db2.gz SLOQRSDHVZIGBY-UHFFFAOYSA-N 1 0 389.522 -1.215 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001261645085 1074238133 /nfs/dbraw/zinc/23/81/33/1074238133.db2.gz VESTYJNEZBJDKJ-UHFFFAOYSA-N 1 0 387.506 -1.461 20 0 GAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001261655985 1074237995 /nfs/dbraw/zinc/23/79/95/1074237995.db2.gz LTTXFODZEHVTMK-UHFFFAOYSA-N 1 0 393.510 -1.690 20 0 GAADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC001261660538 1074238558 /nfs/dbraw/zinc/23/85/58/1074238558.db2.gz QGETVBCDCTUSLT-UHFFFAOYSA-N 1 0 396.469 -1.015 20 0 GAADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC001261668126 1074238501 /nfs/dbraw/zinc/23/85/01/1074238501.db2.gz VARLMHKHUCAPIF-AWEZNQCLSA-N 1 0 389.522 -1.215 20 0 GAADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC001261668127 1074238690 /nfs/dbraw/zinc/23/86/90/1074238690.db2.gz VARLMHKHUCAPIF-CQSZACIVSA-N 1 0 389.522 -1.215 20 0 GAADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001261670091 1074239415 /nfs/dbraw/zinc/23/94/15/1074239415.db2.gz BWFBWRJUPTZQIH-CYBMUJFWSA-N 1 0 377.511 -1.217 20 0 GAADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001261670208 1074239452 /nfs/dbraw/zinc/23/94/52/1074239452.db2.gz GMRSXGRLFCWTHF-GXTWGEPZSA-N 1 0 387.506 -1.464 20 0 GAADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001261670209 1074239389 /nfs/dbraw/zinc/23/93/89/1074239389.db2.gz GMRSXGRLFCWTHF-JSGCOSHPSA-N 1 0 387.506 -1.464 20 0 GAADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001261670210 1074239517 /nfs/dbraw/zinc/23/95/17/1074239517.db2.gz GMRSXGRLFCWTHF-OCCSQVGLSA-N 1 0 387.506 -1.464 20 0 GAADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001261670211 1074239432 /nfs/dbraw/zinc/23/94/32/1074239432.db2.gz GMRSXGRLFCWTHF-TZMCWYRMSA-N 1 0 387.506 -1.464 20 0 GAADRO CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC001261673019 1074239929 /nfs/dbraw/zinc/23/99/29/1074239929.db2.gz JLIDWXLLAQNNGM-AWEZNQCLSA-N 1 0 377.449 -1.321 20 0 GAADRO CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC001261673020 1074239851 /nfs/dbraw/zinc/23/98/51/1074239851.db2.gz JLIDWXLLAQNNGM-CQSZACIVSA-N 1 0 377.449 -1.321 20 0 GAADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)NS(C)(=O)=O ZINC001261696192 1074241118 /nfs/dbraw/zinc/24/11/18/1074241118.db2.gz IGLNQFSRXIEZEF-CYBMUJFWSA-N 1 0 390.506 -1.200 20 0 GAADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)NS(C)(=O)=O ZINC001261696193 1074241208 /nfs/dbraw/zinc/24/12/08/1074241208.db2.gz IGLNQFSRXIEZEF-ZDUSSCGKSA-N 1 0 390.506 -1.200 20 0 GAADRO Cc1cncc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC001261699013 1074241684 /nfs/dbraw/zinc/24/16/84/1074241684.db2.gz WXMYLJWIQZALKD-KRWDZBQOSA-N 1 0 390.488 -1.034 20 0 GAADRO Cc1cncc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC001261699014 1074241561 /nfs/dbraw/zinc/24/15/61/1074241561.db2.gz WXMYLJWIQZALKD-QGZVFWFLSA-N 1 0 390.488 -1.034 20 0 GAADRO CCS(=O)(=O)CCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001261718476 1074242279 /nfs/dbraw/zinc/24/22/79/1074242279.db2.gz JKKDMZZDJVJNDI-AWEZNQCLSA-N 1 0 375.491 -1.015 20 0 GAADRO CCS(=O)(=O)CCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001261718477 1074242230 /nfs/dbraw/zinc/24/22/30/1074242230.db2.gz JKKDMZZDJVJNDI-CQSZACIVSA-N 1 0 375.491 -1.015 20 0 GAADRO O=C(NCCN1C[C@H]2CCCCN2C1=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261731144 1074243601 /nfs/dbraw/zinc/24/36/01/1074243601.db2.gz PHVVUVFRFTVZIR-QLFBSQMISA-N 1 0 379.461 -1.330 20 0 GAADRO O=C(NCCN1C[C@@H]2CCCCN2C1=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261731145 1074243735 /nfs/dbraw/zinc/24/37/35/1074243735.db2.gz PHVVUVFRFTVZIR-SOUVJXGZSA-N 1 0 379.461 -1.330 20 0 GAADRO COC(=O)[C@H]1C[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001261734924 1074243704 /nfs/dbraw/zinc/24/37/04/1074243704.db2.gz PQPBYCVSTRDCFA-SHTZXODSSA-N 1 0 396.488 -1.033 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001261740269 1074244087 /nfs/dbraw/zinc/24/40/87/1074244087.db2.gz WDHBNAVMRBXQBG-HNNXBMFYSA-N 1 0 383.449 -1.901 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001261740270 1074244026 /nfs/dbraw/zinc/24/40/26/1074244026.db2.gz WDHBNAVMRBXQBG-OAHLLOKOSA-N 1 0 383.449 -1.901 20 0 GAADRO Cn1c2ncn(CC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2c(=O)n(C)c1=O ZINC001261756409 1074244537 /nfs/dbraw/zinc/24/45/37/1074244537.db2.gz IFYRXIHNVSITPI-CYBMUJFWSA-N 1 0 390.444 -1.509 20 0 GAADRO 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Cn1cnc(CNC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC001262289751 1074260352 /nfs/dbraw/zinc/26/03/52/1074260352.db2.gz LFDXDUGIHYZKFV-UHFFFAOYSA-N 1 0 378.477 -1.051 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)CC1 ZINC001262304378 1074260392 /nfs/dbraw/zinc/26/03/92/1074260392.db2.gz BYEOXVIXYYPFKF-UHFFFAOYSA-N 1 0 376.461 -1.004 20 0 GAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001262313529 1074260773 /nfs/dbraw/zinc/26/07/73/1074260773.db2.gz KSUBUNBNZQKUMR-AWEZNQCLSA-N 1 0 378.481 -1.336 20 0 GAADRO CCO[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C[NH+](C)C ZINC001262313540 1074260880 /nfs/dbraw/zinc/26/08/80/1074260880.db2.gz LESTXXTVLVVKQP-CHWSQXEVSA-N 1 0 378.495 -1.438 20 0 GAADRO CCO[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C[NH+](C)C ZINC001262313541 1074260865 /nfs/dbraw/zinc/26/08/65/1074260865.db2.gz LESTXXTVLVVKQP-OLZOCXBDSA-N 1 0 378.495 -1.438 20 0 GAADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001262318445 1074260886 /nfs/dbraw/zinc/26/08/86/1074260886.db2.gz FGOGBQZMXKHQKD-HNNXBMFYSA-N 1 0 382.461 -1.327 20 0 GAADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001262318446 1074260821 /nfs/dbraw/zinc/26/08/21/1074260821.db2.gz FGOGBQZMXKHQKD-OAHLLOKOSA-N 1 0 382.461 -1.327 20 0 GAADRO CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001262327639 1074260848 /nfs/dbraw/zinc/26/08/48/1074260848.db2.gz QQVMKNPAAOBVKM-HUUCEWRRSA-N 1 0 382.461 -1.327 20 0 GAADRO Cn1ccn2c(CCNC(=O)N3CCN(C)CC[N@H+](C)CC3)nnc2c1=O ZINC001262375478 1074260754 /nfs/dbraw/zinc/26/07/54/1074260754.db2.gz LVTGWUNTTPUQQI-UHFFFAOYSA-N 1 0 376.465 -1.141 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC1=O ZINC001262488680 1074261270 /nfs/dbraw/zinc/26/12/70/1074261270.db2.gz HVNUULGCRWAOIL-UHFFFAOYSA-N 1 0 382.461 -1.325 20 0 GAADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001262490236 1074261386 /nfs/dbraw/zinc/26/13/86/1074261386.db2.gz RWHWREYEVBSLAA-INIZCTEOSA-N 1 0 396.488 -1.079 20 0 GAADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001262490237 1074261353 /nfs/dbraw/zinc/26/13/53/1074261353.db2.gz RWHWREYEVBSLAA-MRXNPFEDSA-N 1 0 396.488 -1.079 20 0 GAADRO CN(C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001262492902 1074261793 /nfs/dbraw/zinc/26/17/93/1074261793.db2.gz RQAJLNZHLPYVLX-DZGCQCFKSA-N 1 0 386.518 -1.083 20 0 GAADRO CN(C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001262492903 1074261848 /nfs/dbraw/zinc/26/18/48/1074261848.db2.gz RQAJLNZHLPYVLX-HIFRSBDPSA-N 1 0 386.518 -1.083 20 0 GAADRO CN(C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001262492904 1074261787 /nfs/dbraw/zinc/26/17/87/1074261787.db2.gz RQAJLNZHLPYVLX-UKRRQHHQSA-N 1 0 386.518 -1.083 20 0 GAADRO CN(C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001262492905 1074261874 /nfs/dbraw/zinc/26/18/74/1074261874.db2.gz RQAJLNZHLPYVLX-ZFWWWQNUSA-N 1 0 386.518 -1.083 20 0 GAADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001262496986 1074261742 /nfs/dbraw/zinc/26/17/42/1074261742.db2.gz URYNWBCXYTUMGO-CYBMUJFWSA-N 1 0 382.552 -1.177 20 0 GAADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001262496987 1074261808 /nfs/dbraw/zinc/26/18/08/1074261808.db2.gz URYNWBCXYTUMGO-ZDUSSCGKSA-N 1 0 382.552 -1.177 20 0 GAADRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CCOCC4)CC3)C[C@]2(C)C1 ZINC001262507459 1074261767 /nfs/dbraw/zinc/26/17/67/1074261767.db2.gz OBYCPARMOVAJGS-BEFAXECRSA-N 1 0 393.488 -1.007 20 0 GAADRO O=C(C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC001262508370 1074262259 /nfs/dbraw/zinc/26/22/59/1074262259.db2.gz OFSMCGZKMMZDMM-HNNXBMFYSA-N 1 0 399.517 -1.176 20 0 GAADRO O=C(C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC001262508371 1074262269 /nfs/dbraw/zinc/26/22/69/1074262269.db2.gz OFSMCGZKMMZDMM-OAHLLOKOSA-N 1 0 399.517 -1.176 20 0 GAADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)CC2)C1 ZINC001262511536 1074262291 /nfs/dbraw/zinc/26/22/91/1074262291.db2.gz PFNOERABSOCQNK-OWCLPIDISA-N 1 0 398.529 -1.272 20 0 GAADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)CC2)C1 ZINC001262511537 1074262151 /nfs/dbraw/zinc/26/21/51/1074262151.db2.gz PFNOERABSOCQNK-XHSDSOJGSA-N 1 0 398.529 -1.272 20 0 GAADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001262516218 1074262695 /nfs/dbraw/zinc/26/26/95/1074262695.db2.gz UEWCPGCLLUJLQR-CABCVRRESA-N 1 0 399.517 -1.463 20 0 GAADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001262516219 1074262792 /nfs/dbraw/zinc/26/27/92/1074262792.db2.gz UEWCPGCLLUJLQR-GJZGRUSLSA-N 1 0 399.517 -1.463 20 0 GAADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001262516220 1074262887 /nfs/dbraw/zinc/26/28/87/1074262887.db2.gz UEWCPGCLLUJLQR-HUUCEWRRSA-N 1 0 399.517 -1.463 20 0 GAADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001262516221 1074262875 /nfs/dbraw/zinc/26/28/75/1074262875.db2.gz UEWCPGCLLUJLQR-LSDHHAIUSA-N 1 0 399.517 -1.463 20 0 GAADRO O=C(N[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001262520901 1074262806 /nfs/dbraw/zinc/26/28/06/1074262806.db2.gz YIFBZEDKXJNMSO-GFCCVEGCSA-N 1 0 387.462 -2.541 20 0 GAADRO O=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001262520902 1074262830 /nfs/dbraw/zinc/26/28/30/1074262830.db2.gz YIFBZEDKXJNMSO-LBPRGKRZSA-N 1 0 387.462 -2.541 20 0 GAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 ZINC001262520951 1074262820 /nfs/dbraw/zinc/26/28/20/1074262820.db2.gz ZJMXTKZGXIMKAW-DZGCQCFKSA-N 1 0 398.485 -1.203 20 0 GAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 ZINC001262520952 1074262743 /nfs/dbraw/zinc/26/27/43/1074262743.db2.gz ZJMXTKZGXIMKAW-HIFRSBDPSA-N 1 0 398.485 -1.203 20 0 GAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 ZINC001262520953 1074262686 /nfs/dbraw/zinc/26/26/86/1074262686.db2.gz ZJMXTKZGXIMKAW-UKRRQHHQSA-N 1 0 398.485 -1.203 20 0 GAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 ZINC001262520954 1074262767 /nfs/dbraw/zinc/26/27/67/1074262767.db2.gz ZJMXTKZGXIMKAW-ZFWWWQNUSA-N 1 0 398.485 -1.203 20 0 GAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001262521037 1074263216 /nfs/dbraw/zinc/26/32/16/1074263216.db2.gz BOHSEYXZTWKLOP-LLVKDONJSA-N 1 0 382.433 -1.159 20 0 GAADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001262521038 1074263203 /nfs/dbraw/zinc/26/32/03/1074263203.db2.gz BOHSEYXZTWKLOP-NSHDSACASA-N 1 0 382.433 -1.159 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001262523615 1074263220 /nfs/dbraw/zinc/26/32/20/1074263220.db2.gz PGTVCIMPNDEKJP-UHFFFAOYSA-N 1 0 389.522 -1.215 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC3(CC2)C[C@@H](O)CCO3)CC1=O ZINC001262526650 1074263240 /nfs/dbraw/zinc/26/32/40/1074263240.db2.gz NUXUDPUTUBBFET-HNNXBMFYSA-N 1 0 396.488 -1.249 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC3(CC2)C[C@H](O)CCO3)CC1=O ZINC001262526651 1074263136 /nfs/dbraw/zinc/26/31/36/1074263136.db2.gz NUXUDPUTUBBFET-OAHLLOKOSA-N 1 0 396.488 -1.249 20 0 GAADRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC001262528603 1074263192 /nfs/dbraw/zinc/26/31/92/1074263192.db2.gz LGAGFVAKCDSOLV-AWEZNQCLSA-N 1 0 399.517 -1.176 20 0 GAADRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC001262528604 1074263261 /nfs/dbraw/zinc/26/32/61/1074263261.db2.gz LGAGFVAKCDSOLV-CQSZACIVSA-N 1 0 399.517 -1.176 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCn3nncc3C2)CC1 ZINC001262531516 1074263834 /nfs/dbraw/zinc/26/38/34/1074263834.db2.gz BMMVQJKIVNNTCU-HNNXBMFYSA-N 1 0 389.460 -1.225 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCn3nncc3C2)CC1 ZINC001262531517 1074263689 /nfs/dbraw/zinc/26/36/89/1074263689.db2.gz BMMVQJKIVNNTCU-OAHLLOKOSA-N 1 0 389.460 -1.225 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCCn3nncc3C2)CC1 ZINC001262531687 1074263647 /nfs/dbraw/zinc/26/36/47/1074263647.db2.gz ICERMRLWMZSWTH-UHFFFAOYSA-N 1 0 389.460 -1.223 20 0 GAADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)C1 ZINC001262533446 1074263826 /nfs/dbraw/zinc/26/38/26/1074263826.db2.gz GWYVRQVYJWYXDR-KBPBESRZSA-N 1 0 375.491 -1.205 20 0 GAADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)C1 ZINC001262533447 1074263754 /nfs/dbraw/zinc/26/37/54/1074263754.db2.gz GWYVRQVYJWYXDR-KGLIPLIRSA-N 1 0 375.491 -1.205 20 0 GAADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C[C@H]2CCO)C1 ZINC001262533448 1074263724 /nfs/dbraw/zinc/26/37/24/1074263724.db2.gz GWYVRQVYJWYXDR-UONOGXRCSA-N 1 0 375.491 -1.205 20 0 GAADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCS(=O)(=O)C[C@H]2CCO)C1 ZINC001262533449 1074263791 /nfs/dbraw/zinc/26/37/91/1074263791.db2.gz GWYVRQVYJWYXDR-ZIAGYGMSSA-N 1 0 375.491 -1.205 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 ZINC001262539011 1074264292 /nfs/dbraw/zinc/26/42/92/1074264292.db2.gz TZJIXYPYUKMUMW-UHFFFAOYSA-N 1 0 393.488 -1.168 20 0 GAADRO O=C(C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001262539749 1074264130 /nfs/dbraw/zinc/26/41/30/1074264130.db2.gz MAFGITKLTKDXHK-FPCVCCKLSA-N 1 0 399.513 -1.063 20 0 GAADRO O=C(C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001262539750 1074264206 /nfs/dbraw/zinc/26/42/06/1074264206.db2.gz MAFGITKLTKDXHK-JJXSEGSLSA-N 1 0 399.513 -1.063 20 0 GAADRO O=C(C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001262539751 1074264248 /nfs/dbraw/zinc/26/42/48/1074264248.db2.gz MAFGITKLTKDXHK-JONQDZQNSA-N 1 0 399.513 -1.063 20 0 GAADRO O=C(C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001262539752 1074264107 /nfs/dbraw/zinc/26/41/07/1074264107.db2.gz MAFGITKLTKDXHK-QXSJWSMHSA-N 1 0 399.513 -1.063 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H](C)O1 ZINC001262539935 1074264154 /nfs/dbraw/zinc/26/41/54/1074264154.db2.gz PJHWLMRSLKYHAQ-AJNGGQMLSA-N 1 0 383.445 -1.167 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H](C)O1 ZINC001262539936 1074264344 /nfs/dbraw/zinc/26/43/44/1074264344.db2.gz PJHWLMRSLKYHAQ-XGUBFFRZSA-N 1 0 383.445 -1.167 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H](C)O1 ZINC001262539937 1074264916 /nfs/dbraw/zinc/26/49/16/1074264916.db2.gz PJHWLMRSLKYHAQ-XQLPTFJDSA-N 1 0 383.445 -1.167 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H](C)O1 ZINC001262539938 1074264662 /nfs/dbraw/zinc/26/46/62/1074264662.db2.gz PJHWLMRSLKYHAQ-YJNKXOJESA-N 1 0 383.445 -1.167 20 0 GAADRO O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262541687 1074264876 /nfs/dbraw/zinc/26/48/76/1074264876.db2.gz DJUNOKZXADCLQM-UHFFFAOYSA-N 1 0 376.461 -1.444 20 0 GAADRO O=C(NCc1cccnc1N1CCOCC1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262543610 1074264647 /nfs/dbraw/zinc/26/46/47/1074264647.db2.gz GGUQMEMZCYTEJM-UHFFFAOYSA-N 1 0 376.461 -1.444 20 0 GAADRO COCCN1CCN(C(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC1=O ZINC001262551126 1074264698 /nfs/dbraw/zinc/26/46/98/1074264698.db2.gz NJWHNFDOOBUWOD-UHFFFAOYSA-N 1 0 383.493 -1.505 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001262557345 1074264841 /nfs/dbraw/zinc/26/48/41/1074264841.db2.gz XAPYEPNFLRSMFX-RTXFEEFZSA-N 1 0 392.420 -2.039 20 0 GAADRO COCC[C@H]1C[NH2+]CCN1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001262568256 1074264767 /nfs/dbraw/zinc/26/47/67/1074264767.db2.gz PUFMJFUQZGNDHB-AWEZNQCLSA-N 1 0 377.511 -1.417 20 0 GAADRO COCC[C@@H]1C[NH2+]CCN1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001262568257 1074264630 /nfs/dbraw/zinc/26/46/30/1074264630.db2.gz PUFMJFUQZGNDHB-CQSZACIVSA-N 1 0 377.511 -1.417 20 0 GAADRO CCO[C@H](CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C[NH+](C)C ZINC001262592912 1074264813 /nfs/dbraw/zinc/26/48/13/1074264813.db2.gz DVGYDFSHGDUOGL-CYBMUJFWSA-N 1 0 377.511 -1.418 20 0 GAADRO CCO[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C[NH+](C)C ZINC001262592913 1074264724 /nfs/dbraw/zinc/26/47/24/1074264724.db2.gz DVGYDFSHGDUOGL-ZDUSSCGKSA-N 1 0 377.511 -1.418 20 0 GAADRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001263074257 1074266484 /nfs/dbraw/zinc/26/64/84/1074266484.db2.gz CDMNCLKJANSQSW-KBPBESRZSA-N 1 0 377.511 -2.161 20 0 GAADRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001263074258 1074266413 /nfs/dbraw/zinc/26/64/13/1074266413.db2.gz CDMNCLKJANSQSW-KGLIPLIRSA-N 1 0 377.511 -2.161 20 0 GAADRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001263074259 1074266427 /nfs/dbraw/zinc/26/64/27/1074266427.db2.gz CDMNCLKJANSQSW-UONOGXRCSA-N 1 0 377.511 -2.161 20 0 GAADRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001263074260 1074266351 /nfs/dbraw/zinc/26/63/51/1074266351.db2.gz CDMNCLKJANSQSW-ZIAGYGMSSA-N 1 0 377.511 -2.161 20 0 GAADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263097444 1074266387 /nfs/dbraw/zinc/26/63/87/1074266387.db2.gz WYVHVCAPFOTBRZ-BPUTZDHNSA-N 1 0 389.543 -1.055 20 0 GAADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263097445 1074266397 /nfs/dbraw/zinc/26/63/97/1074266397.db2.gz WYVHVCAPFOTBRZ-IMJJTQAJSA-N 1 0 389.543 -1.055 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001263099501 1074266369 /nfs/dbraw/zinc/26/63/69/1074266369.db2.gz MLALZQZBJKQCOC-CABCVRRESA-N 1 0 395.504 -1.508 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001263099502 1074266403 /nfs/dbraw/zinc/26/64/03/1074266403.db2.gz MLALZQZBJKQCOC-GJZGRUSLSA-N 1 0 395.504 -1.508 20 0 GAADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001263099503 1074266339 /nfs/dbraw/zinc/26/63/39/1074266339.db2.gz MLALZQZBJKQCOC-HUUCEWRRSA-N 1 0 395.504 -1.508 20 0 GAADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001263099504 1074266491 /nfs/dbraw/zinc/26/64/91/1074266491.db2.gz MLALZQZBJKQCOC-LSDHHAIUSA-N 1 0 395.504 -1.508 20 0 GAADRO O=C(CN1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001263101599 1074266278 /nfs/dbraw/zinc/26/62/78/1074266278.db2.gz WIMCZGTWTLSPAB-UUCFBXCCSA-N 1 0 384.502 -1.282 20 0 GAADRO O=C(CN1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001263101600 1074266408 /nfs/dbraw/zinc/26/64/08/1074266408.db2.gz WIMCZGTWTLSPAB-XOYHFGRZSA-N 1 0 384.502 -1.282 20 0 GAADRO O=C(N1CCN(CCc2cnccn2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263172812 1074266801 /nfs/dbraw/zinc/26/68/01/1074266801.db2.gz HQTKGXOVGZMFTP-YOEHRIQHSA-N 1 0 379.486 -1.203 20 0 GAADRO COCCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001263210695 1074266718 /nfs/dbraw/zinc/26/67/18/1074266718.db2.gz SZBUETIEKUXQPR-KBPBESRZSA-N 1 0 391.476 -1.119 20 0 GAADRO COCCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001263210696 1074266689 /nfs/dbraw/zinc/26/66/89/1074266689.db2.gz SZBUETIEKUXQPR-UONOGXRCSA-N 1 0 391.476 -1.119 20 0 GAADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCNCC[NH2+]CC1 ZINC001263211298 1074266821 /nfs/dbraw/zinc/26/68/21/1074266821.db2.gz LOIXTGKOFGDHSV-UHFFFAOYSA-N 1 0 385.490 -1.319 20 0 GAADRO C[C@@H](CNC(=O)[C@H]1[C@H](c2cnn(C)c2)N(C)C(=O)[C@H]1O)C[NH+]1CCN(C)CC1 ZINC001263730644 1074267924 /nfs/dbraw/zinc/26/79/24/1074267924.db2.gz FSKPWXIFRJRCEI-HJWJTTGWSA-N 1 0 392.504 -1.090 20 0 GAADRO C[C@H](CNC(=O)[C@H]1[C@H](c2cnn(C)c2)N(C)C(=O)[C@H]1O)C[NH+]1CCN(C)CC1 ZINC001263730645 1074267866 /nfs/dbraw/zinc/26/78/66/1074267866.db2.gz FSKPWXIFRJRCEI-IWCQGFGOSA-N 1 0 392.504 -1.090 20 0 GAADRO CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001263971774 1074268279 /nfs/dbraw/zinc/26/82/79/1074268279.db2.gz DFBJMYPWOLLTLS-YIYPIFLZSA-N 1 0 390.444 -1.010 20 0 GAADRO CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001263972081 1074268260 /nfs/dbraw/zinc/26/82/60/1074268260.db2.gz PQAQLOWDWUNSFE-FVCCEPFGSA-N 1 0 381.433 -1.887 20 0 GAADRO CS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001263994359 1074268376 /nfs/dbraw/zinc/26/83/76/1074268376.db2.gz ODAPHTNLNCUTBG-OFQRWUPVSA-N 1 0 375.491 -1.000 20 0 GAADRO CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001264651987 1074268751 /nfs/dbraw/zinc/26/87/51/1074268751.db2.gz PGIBWRSSBYRPAJ-ZOBORPQBSA-N 1 0 388.490 -1.651 20 0 GAADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)c1 ZINC001264936298 1074268734 /nfs/dbraw/zinc/26/87/34/1074268734.db2.gz KHLDBLZFACMICI-AWEZNQCLSA-N 1 0 396.469 -1.493 20 0 GAADRO CN(CCC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268807904 1074006871 /nfs/dbraw/zinc/00/68/71/1074006871.db2.gz XRGJNQKZTKGEFR-GRDNDAEWSA-N 1 0 382.461 -1.566 20 0 GAADRO CN(CC(=O)N1CCCC2(CN(S(=O)(=O)c3cn(C)cn3)C2)C1)C(N)=[NH2+] ZINC001269991821 1074084822 /nfs/dbraw/zinc/08/48/22/1074084822.db2.gz AAWJEUKXKVZQQP-UHFFFAOYSA-N 1 0 383.478 -1.142 20 0 GAADRO CN(CC(=O)N1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)c1cn(C)cn1)C(N)=[NH2+] ZINC001269991863 1074084957 /nfs/dbraw/zinc/08/49/57/1074084957.db2.gz BMKJRMCEOFOHKJ-PHIMTYICSA-N 1 0 385.450 -2.154 20 0 GAADRO CN(CC(=O)N1C[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cn(C)cn1)C(N)=[NH2+] ZINC001269992398 1074084793 /nfs/dbraw/zinc/08/47/93/1074084793.db2.gz JNJZQBFAIWWHLN-MNOVXSKESA-N 1 0 385.450 -2.154 20 0 GAADRO CN(CC(=O)N1C[C@@H]2OCCN(S(=O)(=O)c3cn(C)cn3)[C@H]2C1)C(N)=[NH2+] ZINC001269992399 1074084967 /nfs/dbraw/zinc/08/49/67/1074084967.db2.gz JNJZQBFAIWWHLN-QWRGUYRKSA-N 1 0 385.450 -2.154 20 0 GAADRO CN(CC(=O)N1CCC2(CN(S(=O)(=O)c3cn(C)cn3)C2)CC1)C(N)=[NH2+] ZINC001269992651 1074085268 /nfs/dbraw/zinc/08/52/68/1074085268.db2.gz SYHVIPMBKCNSQQ-UHFFFAOYSA-N 1 0 383.478 -1.142 20 0 GAADRO CN(CC(=O)N1C[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H](C1)O2)C(N)=[NH2+] ZINC001269992779 1074085287 /nfs/dbraw/zinc/08/52/87/1074085287.db2.gz YJFADJUSCSRXPA-PHIMTYICSA-N 1 0 385.450 -2.154 20 0 GAADRO CN(C)S(=O)(=O)N1CCO[C@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992796 1074085127 /nfs/dbraw/zinc/08/51/27/1074085127.db2.gz YWJTWEYIRXUKGU-AWEZNQCLSA-N 1 0 376.483 -1.689 20 0 GAADRO CN(C)S(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001269992797 1074085151 /nfs/dbraw/zinc/08/51/51/1074085151.db2.gz YWJTWEYIRXUKGU-CQSZACIVSA-N 1 0 376.483 -1.689 20 0 GAADRO CN(CC(=O)N1C[C@@H]2[C@H](C1)OCCN2C(=O)Cn1cc(Cl)cn1)C(N)=[NH2+] ZINC001269993593 1074085137 /nfs/dbraw/zinc/08/51/37/1074085137.db2.gz HHNIBRWAVGYMLH-NEPJUHHUSA-N 1 0 383.840 -1.200 20 0 GAADRO CN(CC(=O)N1C[C@@H]2OCCN(C(=O)Cn3cc(Cl)cn3)[C@H]2C1)C(N)=[NH2+] ZINC001269993595 1074085610 /nfs/dbraw/zinc/08/56/10/1074085610.db2.gz HHNIBRWAVGYMLH-RYUDHWBXSA-N 1 0 383.840 -1.200 20 0 GAADRO CN(CC(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cc(Cl)cn1)C(N)=[NH2+] ZINC001269994301 1074085689 /nfs/dbraw/zinc/08/56/89/1074085689.db2.gz NGWZZGLYZLMPLS-TXEJJXNPSA-N 1 0 383.840 -1.200 20 0 GAADRO CN(CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H](C1)O2)C(N)=[NH2+] ZINC001269994570 1074084807 /nfs/dbraw/zinc/08/48/07/1074084807.db2.gz PKLPDQQDZCNWJK-TXEJJXNPSA-N 1 0 383.840 -1.200 20 0 GAADRO C[NH+](C)CCC(=O)N1CC2(C1)CCOC[C@@H]2C(=O)NCCS(C)(=O)=O ZINC001270061387 1074091118 /nfs/dbraw/zinc/09/11/18/1074091118.db2.gz NFTLKMJOHIEYRF-CYBMUJFWSA-N 1 0 375.491 -1.036 20 0 GAADRO C[NH+](C)CCC(=O)N1CC2(C1)CCOC[C@H]2C(=O)NCCS(C)(=O)=O ZINC001270061389 1074091060 /nfs/dbraw/zinc/09/10/60/1074091060.db2.gz NFTLKMJOHIEYRF-ZDUSSCGKSA-N 1 0 375.491 -1.036 20 0 GAADRO CS(=O)(=O)CCNC(=O)C1=NO[C@@H]2CN(C(=O)C[NH+]3CCCCC3)C[C@H]12 ZINC001270061555 1074091174 /nfs/dbraw/zinc/09/11/74/1074091174.db2.gz KBLZCBAOWSNIIW-QWHCGFSZSA-N 1 0 386.474 -1.154 20 0 GAADRO C[NH+](C)CCC(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NCCS(C)(=O)=O ZINC001270061786 1074091535 /nfs/dbraw/zinc/09/15/35/1074091535.db2.gz RSURSERRIQZTAT-JLNYLFASSA-N 1 0 375.491 -1.161 20 0 GAADRO C[NH+]1CCN(CCC(=O)N2CC[C@H]3C[C@]32C(=O)NCCS(C)(=O)=O)CC1 ZINC001270066545 1074091658 /nfs/dbraw/zinc/09/16/58/1074091658.db2.gz CPDZNSXXNKQULF-WMLDXEAASA-N 1 0 386.518 -1.224 20 0 GAADRO C[NH+]1CCN(CCC(=O)NC23CC(C(=O)NCCS(C)(=O)=O)(C2)C3)CC1 ZINC001270066968 1074091510 /nfs/dbraw/zinc/09/15/10/1074091510.db2.gz IDJBZIWPIBKUTD-UHFFFAOYSA-N 1 0 386.518 -1.176 20 0 GAADRO CN1CC[NH+](CCC(=O)N2CC3(C[C@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001270067535 1074092026 /nfs/dbraw/zinc/09/20/26/1074092026.db2.gz OSJOAEWZBNWPGC-AWEZNQCLSA-N 1 0 386.518 -1.367 20 0 GAADRO CN1CC[NH+](CCC(=O)N2CC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001270067544 1074091982 /nfs/dbraw/zinc/09/19/82/1074091982.db2.gz OSJOAEWZBNWPGC-CQSZACIVSA-N 1 0 386.518 -1.367 20 0 GAADRO CN1CC[NH+](CCC(=O)N2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001270069186 1074091907 /nfs/dbraw/zinc/09/19/07/1074091907.db2.gz YJNUXIBRDLRAGG-RHSMWYFYSA-N 1 0 386.518 -1.367 20 0 GAADRO CS(=O)(=O)CCNC(=O)c1nnc2n1CCN(C(=O)C[NH+]1CCCC1)C2 ZINC001270096452 1074093522 /nfs/dbraw/zinc/09/35/22/1074093522.db2.gz VANBNFCWRFFULG-UHFFFAOYSA-N 1 0 384.462 -1.510 20 0 GAADRO C[NH+]1CCC(C(=O)N2C[C@@H]3C(C(=O)NCCS(C)(=O)=O)=NO[C@@H]3C2)CC1 ZINC001270103010 1074094764 /nfs/dbraw/zinc/09/47/64/1074094764.db2.gz VOOMDZYFFDEMKC-QWHCGFSZSA-N 1 0 386.474 -1.298 20 0 GAADRO C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3CCCN3S(C)(=O)=O)C2)OCC1=O ZINC001270370553 1074119953 /nfs/dbraw/zinc/11/99/53/1074119953.db2.gz ILZQHSNSQITFKJ-CYBMUJFWSA-N 1 0 388.490 -1.588 20 0 GAADRO C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C2)OCC1=O ZINC001270370554 1074119995 /nfs/dbraw/zinc/11/99/95/1074119995.db2.gz ILZQHSNSQITFKJ-ZDUSSCGKSA-N 1 0 388.490 -1.588 20 0 GAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)C2 ZINC001270371627 1074119510 /nfs/dbraw/zinc/11/95/10/1074119510.db2.gz SXSAKPIGPGZDAT-CYBMUJFWSA-N 1 0 388.490 -1.588 20 0 GAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)C2 ZINC001270371628 1074119448 /nfs/dbraw/zinc/11/94/48/1074119448.db2.gz SXSAKPIGPGZDAT-ZDUSSCGKSA-N 1 0 388.490 -1.588 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H]1CSCC(=O)N1)C2 ZINC001270476536 1074130014 /nfs/dbraw/zinc/13/00/14/1074130014.db2.gz ZNQPHSCUYJUACL-CXAGYDPISA-N 1 0 384.502 -1.143 20 0 GAADRO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@H]1CSCC(=O)N1)C2 ZINC001270476537 1074129984 /nfs/dbraw/zinc/12/99/84/1074129984.db2.gz ZNQPHSCUYJUACL-DYVFJYSZSA-N 1 0 384.502 -1.143 20 0 GAADRO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1CSCC(=O)N1)C2 ZINC001270476538 1074129975 /nfs/dbraw/zinc/12/99/75/1074129975.db2.gz ZNQPHSCUYJUACL-GUYCJALGSA-N 1 0 384.502 -1.143 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1CSCC(=O)N1)C2 ZINC001270476539 1074129995 /nfs/dbraw/zinc/12/99/95/1074129995.db2.gz ZNQPHSCUYJUACL-SUMWQHHRSA-N 1 0 384.502 -1.143 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CSCC(=O)N3)C[C@@]2(F)C1=O ZINC001270476593 1074129978 /nfs/dbraw/zinc/12/99/78/1074129978.db2.gz ZTYKZSPIRCWDKL-COLVAYQJSA-N 1 0 376.429 -1.119 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CSCC(=O)N3)C[C@@]2(F)C1=O ZINC001270476599 1074129957 /nfs/dbraw/zinc/12/99/57/1074129957.db2.gz ZTYKZSPIRCWDKL-VCTAVGKDSA-N 1 0 376.429 -1.119 20 0 GAADRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 ZINC001270495488 1074132555 /nfs/dbraw/zinc/13/25/55/1074132555.db2.gz DQPKVHLUMNJMIE-HUUCEWRRSA-N 1 0 386.518 -1.130 20 0 GAADRO C[NH+](C)CCN1CC2(CN(C(=O)CN3CCS(=O)(=O)CC3)C2)OCC1=O ZINC001270495489 1074132683 /nfs/dbraw/zinc/13/26/83/1074132683.db2.gz DRELKMLIRLVKQB-UHFFFAOYSA-N 1 0 388.490 -2.282 20 0 GAADRO C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1=O ZINC001270496544 1074132576 /nfs/dbraw/zinc/13/25/76/1074132576.db2.gz LCKGUICGXPLNMB-KRWDZBQOSA-N 1 0 386.518 -1.271 20 0 GAADRO C[NH+](C)CCN1CC[C@]2(CCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1=O ZINC001270496546 1074132635 /nfs/dbraw/zinc/13/26/35/1074132635.db2.gz LCKGUICGXPLNMB-QGZVFWFLSA-N 1 0 386.518 -1.271 20 0 GAADRO C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1=O ZINC001270497142 1074132667 /nfs/dbraw/zinc/13/26/67/1074132667.db2.gz QNNJAKAZEHJUJV-KRWDZBQOSA-N 1 0 386.518 -1.128 20 0 GAADRO C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1=O ZINC001270497144 1074133032 /nfs/dbraw/zinc/13/30/32/1074133032.db2.gz QNNJAKAZEHJUJV-QGZVFWFLSA-N 1 0 386.518 -1.128 20 0 GAADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 ZINC001270497151 1074132906 /nfs/dbraw/zinc/13/29/06/1074132906.db2.gz QQDDZLIMSLDNTM-UHFFFAOYSA-N 1 0 388.490 -2.282 20 0 GAADRO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)CNS(C)(=O)=O)C2 ZINC001270502279 1074133115 /nfs/dbraw/zinc/13/31/15/1074133115.db2.gz HBWBSWKMFUEVET-HNNXBMFYSA-N 1 0 376.479 -1.825 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)CNS(C)(=O)=O)C2 ZINC001270502281 1074133591 /nfs/dbraw/zinc/13/35/91/1074133591.db2.gz HBWBSWKMFUEVET-OAHLLOKOSA-N 1 0 376.479 -1.825 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H](C1)O2 ZINC001270605822 1074147796 /nfs/dbraw/zinc/14/77/96/1074147796.db2.gz NKSUKWJTHWFGBK-KBQBNKOBSA-N 1 0 375.422 -3.741 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H](C1)O2 ZINC001270605823 1074147777 /nfs/dbraw/zinc/14/77/77/1074147777.db2.gz NKSUKWJTHWFGBK-YVCXHOHASA-N 1 0 375.422 -3.741 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001270606018 1074148272 /nfs/dbraw/zinc/14/82/72/1074148272.db2.gz SVPPUYNHRXVXHH-KBQBNKOBSA-N 1 0 375.422 -3.741 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001270606020 1074148302 /nfs/dbraw/zinc/14/83/02/1074148302.db2.gz SVPPUYNHRXVXHH-YVCXHOHASA-N 1 0 375.422 -3.741 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001270606166 1074148276 /nfs/dbraw/zinc/14/82/76/1074148276.db2.gz UNOFQFXQPVANAQ-BFOOUCAISA-N 1 0 375.422 -3.741 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001270606168 1074148269 /nfs/dbraw/zinc/14/82/69/1074148269.db2.gz UNOFQFXQPVANAQ-LHGYAUNYSA-N 1 0 375.422 -3.741 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@@H]21 ZINC001270606172 1074148294 /nfs/dbraw/zinc/14/82/94/1074148294.db2.gz UNOFQFXQPVANAQ-YCFDDFMTSA-N 1 0 375.422 -3.741 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@@H]21 ZINC001270606174 1074148292 /nfs/dbraw/zinc/14/82/92/1074148292.db2.gz UNOFQFXQPVANAQ-ZDFQDXCVSA-N 1 0 375.422 -3.741 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@@H]21 ZINC001270632084 1074153410 /nfs/dbraw/zinc/15/34/10/1074153410.db2.gz ULVUIMZKJUJZFK-HTVCTNPSSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H]21 ZINC001270632088 1074153396 /nfs/dbraw/zinc/15/33/96/1074153396.db2.gz ULVUIMZKJUJZFK-IKOXMDCHSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]21 ZINC001270632095 1074153443 /nfs/dbraw/zinc/15/34/43/1074153443.db2.gz ULVUIMZKJUJZFK-MBJXGIAVSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]21 ZINC001270632098 1074153466 /nfs/dbraw/zinc/15/34/66/1074153466.db2.gz ULVUIMZKJUJZFK-MEBFFEOJSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H]21 ZINC001270632100 1074153447 /nfs/dbraw/zinc/15/34/47/1074153447.db2.gz ULVUIMZKJUJZFK-PEBLQZBPSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@H]21 ZINC001270632103 1074153438 /nfs/dbraw/zinc/15/34/38/1074153438.db2.gz ULVUIMZKJUJZFK-QSLWVIQJSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]21 ZINC001270632106 1074153481 /nfs/dbraw/zinc/15/34/81/1074153481.db2.gz ULVUIMZKJUJZFK-RKQHYHRCSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@@H]21 ZINC001270632108 1074153458 /nfs/dbraw/zinc/15/34/58/1074153458.db2.gz ULVUIMZKJUJZFK-ZUWCUPBKSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001270632170 1074153471 /nfs/dbraw/zinc/15/34/71/1074153471.db2.gz VHKHFRCCGLUTBB-MEBFFEOJSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001270632173 1074153475 /nfs/dbraw/zinc/15/34/75/1074153475.db2.gz VHKHFRCCGLUTBB-XHJNMGKDSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001270632485 1074153461 /nfs/dbraw/zinc/15/34/61/1074153461.db2.gz VHKHFRCCGLUTBB-XVIXHAIJSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001270632486 1074153417 /nfs/dbraw/zinc/15/34/17/1074153417.db2.gz VHKHFRCCGLUTBB-ZUWCUPBKSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H](C1)O2 ZINC001270632992 1074153855 /nfs/dbraw/zinc/15/38/55/1074153855.db2.gz YYCJJVYKVIGCFR-MEBFFEOJSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H](C1)O2 ZINC001270632993 1074153842 /nfs/dbraw/zinc/15/38/42/1074153842.db2.gz YYCJJVYKVIGCFR-XHJNMGKDSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H](C1)O2 ZINC001270632995 1074153805 /nfs/dbraw/zinc/15/38/05/1074153805.db2.gz YYCJJVYKVIGCFR-XVIXHAIJSA-N 1 0 375.422 -3.896 20 0 GAADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H](C1)O2 ZINC001270632997 1074153735 /nfs/dbraw/zinc/15/37/35/1074153735.db2.gz YYCJJVYKVIGCFR-ZUWCUPBKSA-N 1 0 375.422 -3.896 20 0 GAADRO CN(CC(=O)N1CC2(C1)SCC[C@@H]2C(=O)NCCn1ccnn1)C(N)=[NH2+] ZINC001270687332 1074158917 /nfs/dbraw/zinc/15/89/17/1074158917.db2.gz NJVKPTQDNSEVDZ-LLVKDONJSA-N 1 0 380.478 -1.446 20 0 GAADRO CN(CC(=O)N1CC2(C1)SCC[C@H]2C(=O)NCCn1ccnn1)C(N)=[NH2+] ZINC001270687335 1074158882 /nfs/dbraw/zinc/15/88/82/1074158882.db2.gz NJVKPTQDNSEVDZ-NSHDSACASA-N 1 0 380.478 -1.446 20 0 GAADRO CN(CC(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NCCS(C)(=O)=O)C(N)=[NH2+] ZINC001270689901 1074158903 /nfs/dbraw/zinc/15/89/03/1074158903.db2.gz CQMUQFAEIRZIOP-WGBDABJCSA-N 1 0 389.478 -2.287 20 0 GAADRO CN(CC(=O)N1CC[C@]2(CCC[C@H]2C(=O)NCCS(C)(=O)=O)C1)C(N)=[NH2+] ZINC001270690047 1074158874 /nfs/dbraw/zinc/15/88/74/1074158874.db2.gz DELCUUGMUPLAOU-BLLLJJGKSA-N 1 0 387.506 -1.009 20 0 GAADRO CN(CC(=O)N1CC[C@@]2(CCC[C@H]2C(=O)NCCS(C)(=O)=O)C1)C(N)=[NH2+] ZINC001270690054 1074158789 /nfs/dbraw/zinc/15/87/89/1074158789.db2.gz DELCUUGMUPLAOU-LRDDRELGSA-N 1 0 387.506 -1.009 20 0 GAADRO CN(CC(=O)N1CC[C@]2(CCC[C@@H]2C(=O)NCCS(C)(=O)=O)C1)C(N)=[NH2+] ZINC001270690056 1074158896 /nfs/dbraw/zinc/15/88/96/1074158896.db2.gz DELCUUGMUPLAOU-MLGOLLRUSA-N 1 0 387.506 -1.009 20 0 GAADRO CN(CC(=O)N1CC[C@@]2(CCC[C@@H]2C(=O)NCCS(C)(=O)=O)C1)C(N)=[NH2+] ZINC001270690058 1074158856 /nfs/dbraw/zinc/15/88/56/1074158856.db2.gz DELCUUGMUPLAOU-WBMJQRKESA-N 1 0 387.506 -1.009 20 0 GAADRO CN(CC(=O)N1CCc2cc(C(=O)NCCS(C)(=O)=O)[nH]c2C1)C(N)=[NH2+] ZINC001270690176 1074158815 /nfs/dbraw/zinc/15/88/15/1074158815.db2.gz DTXDJKSZRSIHMQ-UHFFFAOYSA-N 1 0 384.462 -1.501 20 0 GAADRO CN(CC(=O)N1CCc2c(n[nH]c2C(=O)NCCS(C)(=O)=O)C1)C(N)=[NH2+] ZINC001270690627 1074158808 /nfs/dbraw/zinc/15/88/08/1074158808.db2.gz GJDFENYJUIIJDY-UHFFFAOYSA-N 1 0 385.450 -2.106 20 0 GAADRO CN(CC(=O)N1CCn2cc(C(=O)NCCS(C)(=O)=O)nc2C1)C(N)=[NH2+] ZINC001270690684 1074158943 /nfs/dbraw/zinc/15/89/43/1074158943.db2.gz HRBSJVDAMAVECW-UHFFFAOYSA-N 1 0 385.450 -2.175 20 0 GAADRO CN(CC(=O)N1CCn2c(C(=O)NCCS(C)(=O)=O)cnc2C1)C(N)=[NH2+] ZINC001270691024 1074159355 /nfs/dbraw/zinc/15/93/55/1074159355.db2.gz JCTKZHIDVJFRAT-UHFFFAOYSA-N 1 0 385.450 -2.175 20 0 GAADRO CN(CC(=O)N1CCc2onc(C(=O)NCCS(C)(=O)=O)c2C1)C(N)=[NH2+] ZINC001270691043 1074159234 /nfs/dbraw/zinc/15/92/34/1074159234.db2.gz JTTPDTZMHXCNOF-UHFFFAOYSA-N 1 0 386.434 -1.841 20 0 GAADRO CN(CC(=O)N1CC2(C1)CC[C@@H](C(=O)NCCS(C)(=O)=O)O2)C(N)=[NH2+] ZINC001270691046 1074159371 /nfs/dbraw/zinc/15/93/71/1074159371.db2.gz JXVUSFYQTBMFIO-JTQLQIEISA-N 1 0 375.451 -2.268 20 0 GAADRO CN(CC(=O)N1CC2(C1)CC[C@H](C(=O)NCCS(C)(=O)=O)O2)C(N)=[NH2+] ZINC001270691047 1074159262 /nfs/dbraw/zinc/15/92/62/1074159262.db2.gz JXVUSFYQTBMFIO-SNVBAGLBSA-N 1 0 375.451 -2.268 20 0 GAADRO CN(CC(=O)N1CCc2n[nH]c(C(=O)NCCS(C)(=O)=O)c2C1)C(N)=[NH2+] ZINC001270691092 1074159318 /nfs/dbraw/zinc/15/93/18/1074159318.db2.gz KMOYLHPCMDGSLT-UHFFFAOYSA-N 1 0 385.450 -2.106 20 0 GAADRO CN(CC(=O)N1C[C@H]2C[C@H](CC(=O)NCCS(C)(=O)=O)O[C@H]2C1)C(N)=[NH2+] ZINC001270692120 1074159244 /nfs/dbraw/zinc/15/92/44/1074159244.db2.gz UOQNBJAZDLWSCR-UTUOFQBUSA-N 1 0 389.478 -2.022 20 0 GAADRO CN(CC(=O)N1C[C@H]2C[C@@H](CC(=O)NCCS(C)(=O)=O)O[C@H]2C1)C(N)=[NH2+] ZINC001270692121 1074159237 /nfs/dbraw/zinc/15/92/37/1074159237.db2.gz UOQNBJAZDLWSCR-WOPDTQHZSA-N 1 0 389.478 -2.022 20 0 GAADRO CN(CC(=O)N1CCn2c(nnc2C(=O)NCCS(C)(=O)=O)C1)C(N)=[NH2+] ZINC001270692133 1074159287 /nfs/dbraw/zinc/15/92/87/1074159287.db2.gz VBDBJARRHRHPDI-UHFFFAOYSA-N 1 0 386.438 -2.780 20 0 GAADRO CN(CC(=O)N1CC2(C1)CCOC[C@@H]2C(=O)NCCS(C)(=O)=O)C(N)=[NH2+] ZINC001270692507 1074160025 /nfs/dbraw/zinc/16/00/25/1074160025.db2.gz YKDCIBQXQPPGSR-LLVKDONJSA-N 1 0 389.478 -2.162 20 0 GAADRO CN(CC(=O)N1CC2(C1)CCOC[C@H]2C(=O)NCCS(C)(=O)=O)C(N)=[NH2+] ZINC001270692519 1074160007 /nfs/dbraw/zinc/16/00/07/1074160007.db2.gz YKDCIBQXQPPGSR-NSHDSACASA-N 1 0 389.478 -2.162 20 0 GAADRO CN(CC(=O)N1CC2(C1)SCC[C@H]2C(=O)NCCS(C)(=O)=O)C(N)=[NH2+] ZINC001270692618 1074158755 /nfs/dbraw/zinc/15/87/55/1074158755.db2.gz ZTMRQKQFJBCHQM-JTQLQIEISA-N 1 0 391.519 -1.693 20 0 GAADRO CN(CC(=O)N1CC2(C1)SCC[C@@H]2C(=O)NCCS(C)(=O)=O)C(N)=[NH2+] ZINC001270692619 1074159311 /nfs/dbraw/zinc/15/93/11/1074159311.db2.gz ZTMRQKQFJBCHQM-SNVBAGLBSA-N 1 0 391.519 -1.693 20 0 GAADRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001270902827 1074188532 /nfs/dbraw/zinc/18/85/32/1074188532.db2.gz GTANBVQBXXNPDO-OSRDXIQISA-N 1 0 384.502 -1.033 20 0 GAADRO C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)C2 ZINC001270903892 1074188570 /nfs/dbraw/zinc/18/85/70/1074188570.db2.gz LQYNRZBGHFVDRH-KGLIPLIRSA-N 1 0 384.502 -1.174 20 0 GAADRO C[NH+](C)CCN1CCC12CN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)C2 ZINC001270904656 1074188515 /nfs/dbraw/zinc/18/85/15/1074188515.db2.gz RLUWMWNFERMEOJ-KGLIPLIRSA-N 1 0 384.502 -1.031 20 0 GAADRO CCS(=O)(=O)NCCN1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001271167180 1074214562 /nfs/dbraw/zinc/21/45/62/1074214562.db2.gz KMWUPPQBALPBHK-REISYBLGSA-N 1 0 387.502 -1.098 20 0 GAADRO CCS(=O)(=O)NCCN1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001271167181 1074214570 /nfs/dbraw/zinc/21/45/70/1074214570.db2.gz KMWUPPQBALPBHK-RURKYGKJSA-N 1 0 387.502 -1.098 20 0 GAADRO CCS(=O)(=O)CCN1CC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)OCC1=O ZINC001272022317 1074278546 /nfs/dbraw/zinc/27/85/46/1074278546.db2.gz QBXGDAFVUBUJJB-CYBMUJFWSA-N 1 0 389.474 -1.809 20 0 GAADRO CCS(=O)(=O)CCN1CC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)OCC1=O ZINC001272022320 1074278650 /nfs/dbraw/zinc/27/86/50/1074278650.db2.gz QBXGDAFVUBUJJB-ZDUSSCGKSA-N 1 0 389.474 -1.809 20 0 GAADRO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)CCS(N)(=O)=O)C2 ZINC001272222631 1074355188 /nfs/dbraw/zinc/35/51/88/1074355188.db2.gz RSNOYWMKTBXULP-HNNXBMFYSA-N 1 0 376.479 -1.696 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)CCS(N)(=O)=O)C2 ZINC001272222632 1074355205 /nfs/dbraw/zinc/35/52/05/1074355205.db2.gz RSNOYWMKTBXULP-OAHLLOKOSA-N 1 0 376.479 -1.696 20 0 GAADRO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001272417680 1074602288 /nfs/dbraw/zinc/60/22/88/1074602288.db2.gz CABFMGLTEJILQY-BBRMVZONSA-N 1 0 388.490 -1.683 20 0 GAADRO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001272417681 1074602351 /nfs/dbraw/zinc/60/23/51/1074602351.db2.gz CABFMGLTEJILQY-CJNGLKHVSA-N 1 0 388.490 -1.683 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001272417682 1074602313 /nfs/dbraw/zinc/60/23/13/1074602313.db2.gz CABFMGLTEJILQY-CZUORRHYSA-N 1 0 388.490 -1.683 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001272417683 1074602323 /nfs/dbraw/zinc/60/23/23/1074602323.db2.gz CABFMGLTEJILQY-XJKSGUPXSA-N 1 0 388.490 -1.683 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@]2(F)C1=O ZINC001272417703 1074602271 /nfs/dbraw/zinc/60/22/71/1074602271.db2.gz COLRXTVVZCTTNT-LERXQTSPSA-N 1 0 380.417 -1.659 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@]2(F)C1=O ZINC001272417704 1074602258 /nfs/dbraw/zinc/60/22/58/1074602258.db2.gz COLRXTVVZCTTNT-ZLKJLUDKSA-N 1 0 380.417 -1.659 20 0 GAADRO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001272420087 1074607003 /nfs/dbraw/zinc/60/70/03/1074607003.db2.gz VZXNHOFOTNWBRZ-BLLLJJGKSA-N 1 0 386.474 -1.393 20 0 GAADRO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001272420088 1074606985 /nfs/dbraw/zinc/60/69/85/1074606985.db2.gz VZXNHOFOTNWBRZ-LRDDRELGSA-N 1 0 386.474 -1.393 20 0 GAADRO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001272420089 1074607000 /nfs/dbraw/zinc/60/70/00/1074607000.db2.gz VZXNHOFOTNWBRZ-MLGOLLRUSA-N 1 0 386.474 -1.393 20 0 GAADRO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1=O ZINC001272420090 1074607010 /nfs/dbraw/zinc/60/70/10/1074607010.db2.gz VZXNHOFOTNWBRZ-WBMJQRKESA-N 1 0 386.474 -1.393 20 0 GAADRO CC(=O)N1CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001272478612 1074613822 /nfs/dbraw/zinc/61/38/22/1074613822.db2.gz ALDUVOLXYAALLF-CNRFMZSYSA-N 1 0 394.472 -1.833 20 0 GAADRO CC(=O)N1CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001272478614 1074613798 /nfs/dbraw/zinc/61/37/98/1074613798.db2.gz ALDUVOLXYAALLF-NTCWUJLTSA-N 1 0 394.472 -1.833 20 0 GAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001272479758 1074614320 /nfs/dbraw/zinc/61/43/20/1074614320.db2.gz RCPSUYDSSSNVHN-CNRFMZSYSA-N 1 0 391.472 -1.131 20 0 GAADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001272479759 1074614241 /nfs/dbraw/zinc/61/42/41/1074614241.db2.gz RCPSUYDSSSNVHN-NTCWUJLTSA-N 1 0 391.472 -1.131 20 0 GAADRO CC(=O)O[C@H]1CO[C@H](C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)S1 ZINC001272560824 1074617462 /nfs/dbraw/zinc/61/74/62/1074617462.db2.gz DPGDYTCVRPXMTG-HIFRSBDPSA-N 1 0 387.458 -1.034 20 0 GAADRO CC(=O)O[C@H]1CO[C@H](C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)S1 ZINC001272561462 1074617635 /nfs/dbraw/zinc/61/76/35/1074617635.db2.gz LHRBFBLKAIFDQB-HIFRSBDPSA-N 1 0 387.458 -1.034 20 0 GAADRO CN(CC(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)S(C)(=O)=O ZINC001272647744 1074634403 /nfs/dbraw/zinc/63/44/03/1074634403.db2.gz GPHIDRRXMBULTJ-INIZCTEOSA-N 1 0 388.490 -1.193 20 0 GAADRO CN(CC(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)S(C)(=O)=O ZINC001272647746 1074634470 /nfs/dbraw/zinc/63/44/70/1074634470.db2.gz GPHIDRRXMBULTJ-MRXNPFEDSA-N 1 0 388.490 -1.193 20 0 GAADRO CN(CC(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1)S(C)(=O)=O ZINC001272648038 1074634844 /nfs/dbraw/zinc/63/48/44/1074634844.db2.gz JFVPOFIGDXUUPB-ZIAGYGMSSA-N 1 0 382.433 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C[NH+](C)CCN1C(=O)COCC12CN(C(=O)Cn1nc(Cl)ccc1=O)C2 ZINC001272778881 1074759465 /nfs/dbraw/zinc/75/94/65/1074759465.db2.gz ZOKZOFLDMQDNLG-UHFFFAOYSA-N 1 0 383.836 -1.102 20 0 GAADRO C[NH+](C)CCN1C[C@]2(CCN(C(=O)C3CN(S(C)(=O)=O)C3)C2)OCC1=O ZINC001272787231 1074761905 /nfs/dbraw/zinc/76/19/05/1074761905.db2.gz WDGQZPLHACQXKQ-INIZCTEOSA-N 1 0 388.490 -1.731 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(CCN(C(=O)C3CN(S(C)(=O)=O)C3)C2)OCC1=O ZINC001272787232 1074761881 /nfs/dbraw/zinc/76/18/81/1074761881.db2.gz WDGQZPLHACQXKQ-MRXNPFEDSA-N 1 0 388.490 -1.731 20 0 GAADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C3CN(S(C)(=O)=O)C3)C[C@@]2(F)C1=O ZINC001272787303 1074761636 /nfs/dbraw/zinc/76/16/36/1074761636.db2.gz XZVQSJSFCXNNLF-HUUCEWRRSA-N 1 0 394.444 -1.460 20 0 GAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001272979079 1074805556 /nfs/dbraw/zinc/80/55/56/1074805556.db2.gz PMVCQSGWQVMAPE-KBPBESRZSA-N 1 0 382.486 -1.024 20 0 GAADRO 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CC(=O)N[C@@H](CCO)C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001273548831 1075371742 /nfs/dbraw/zinc/37/17/42/1075371742.db2.gz YTDNIYWMKXVLKG-APHBMKBZSA-N 1 0 376.404 -1.464 20 0 GAADRO CC(=O)N[C@H](CCO)C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001273548832 1075371668 /nfs/dbraw/zinc/37/16/68/1075371668.db2.gz YTDNIYWMKXVLKG-DAXOMENPSA-N 1 0 376.404 -1.464 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)CCS(N)(=O)=O)C[C@]2(CCCC(=O)N2)C1 ZINC001273580801 1075376945 /nfs/dbraw/zinc/37/69/45/1075376945.db2.gz HULBWQJDMYQERD-INIZCTEOSA-N 1 0 389.522 -1.590 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)CCS(N)(=O)=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001273580802 1075377017 /nfs/dbraw/zinc/37/70/17/1075377017.db2.gz HULBWQJDMYQERD-MRXNPFEDSA-N 1 0 389.522 -1.590 20 0 GAADRO C[NH+]1CCC(NC(=O)C2=NO[C@@H]3CN(C(=O)CNS(C)(=O)=O)C[C@H]23)CC1 ZINC001273623798 1075384773 /nfs/dbraw/zinc/38/47/73/1075384773.db2.gz FCJHZKNRHJECII-NWDGAFQWSA-N 1 0 387.462 -2.041 20 0 GAADRO C[NH+]1CCC(NC(=O)[C@H]2CCC3(CN(C(=O)CNS(C)(=O)=O)C3)O2)CC1 ZINC001273624247 1075384419 /nfs/dbraw/zinc/38/44/19/1075384419.db2.gz LKOMLIOEVOFIQQ-CYBMUJFWSA-N 1 0 388.490 -1.494 20 0 GAADRO C[NH+]1CCC(NC(=O)[C@@H]2CCC3(CN(C(=O)CNS(C)(=O)=O)C3)O2)CC1 ZINC001273624249 1075384433 /nfs/dbraw/zinc/38/44/33/1075384433.db2.gz LKOMLIOEVOFIQQ-ZDUSSCGKSA-N 1 0 388.490 -1.494 20 0 GAADRO C[NH+]1CCC(NC(=O)c2[nH]nc3c2CN(C(=O)CNS(C)(=O)=O)C3)CC1 ZINC001273625215 1075385078 /nfs/dbraw/zinc/38/50/78/1075385078.db2.gz SPUUBSJDPBREBL-UHFFFAOYSA-N 1 0 384.462 -1.375 20 0 GAADRO CC[N@H+](C)CC(=O)N1CC2(C1)CCOC[C@@H]2C(=O)NCCS(C)(=O)=O ZINC001273666888 1075393149 /nfs/dbraw/zinc/39/31/49/1075393149.db2.gz VXMXCQWFTAUESK-CYBMUJFWSA-N 1 0 375.491 -1.036 20 0 GAADRO CC[N@H+](C)CC(=O)N1CC2(C1)CCOC[C@H]2C(=O)NCCS(C)(=O)=O ZINC001273666889 1075393201 /nfs/dbraw/zinc/39/32/01/1075393201.db2.gz VXMXCQWFTAUESK-ZDUSSCGKSA-N 1 0 375.491 -1.036 20 0 GAADRO CS(=O)(=O)CCNC(=O)C1=NO[C@@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@H]12 ZINC001273672646 1075394655 /nfs/dbraw/zinc/39/46/55/1075394655.db2.gz IHLZJKNVHYQNEH-QWHCGFSZSA-N 1 0 386.474 -1.154 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCn2c(nnc2C(=O)NCCS(C)(=O)=O)C1 ZINC001273790418 1075419112 /nfs/dbraw/zinc/41/91/12/1075419112.db2.gz ZWHVGYFGSSRTJT-UHFFFAOYSA-N 1 0 386.478 -1.264 20 0 GAADRO CS(=O)(=O)N1CC(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2ccnc2)C1 ZINC001273978071 1075489778 /nfs/dbraw/zinc/48/97/78/1075489778.db2.gz BOKHRHFDIFNNHI-CABCVRRESA-N 1 0 383.474 -1.314 20 0 GAADRO CS(=O)(=O)N1CC(C(=O)N2C[C@@H]3OCCN(CCn4ccnc4)[C@H]3C2)C1 ZINC001273978072 1075489835 /nfs/dbraw/zinc/48/98/35/1075489835.db2.gz BOKHRHFDIFNNHI-GJZGRUSLSA-N 1 0 383.474 -1.314 20 0 GAADRO C[C@@H](C(=O)N1CC2(C1)CCOC[C@@H]2C(=O)NCCS(C)(=O)=O)[NH+](C)C ZINC001274157472 1075521765 /nfs/dbraw/zinc/52/17/65/1075521765.db2.gz LZCSQBLQBZFRTL-QWHCGFSZSA-N 1 0 375.491 -1.038 20 0 GAADRO C[C@@H](C(=O)N1CC2(C1)CCOC[C@H]2C(=O)NCCS(C)(=O)=O)[NH+](C)C ZINC001274157473 1075521858 /nfs/dbraw/zinc/52/18/58/1075521858.db2.gz LZCSQBLQBZFRTL-STQMWFEESA-N 1 0 375.491 -1.038 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C2CS(=O)(=O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001274192303 1075523545 /nfs/dbraw/zinc/52/35/45/1075523545.db2.gz RXZSSSGSKLMYLW-KRWDZBQOSA-N 1 0 386.518 -1.224 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C2CS(=O)(=O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001274192304 1075523515 /nfs/dbraw/zinc/52/35/15/1075523515.db2.gz RXZSSSGSKLMYLW-QGZVFWFLSA-N 1 0 386.518 -1.224 20 0 GAADRO CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001274203001 1075523711 /nfs/dbraw/zinc/52/37/11/1075523711.db2.gz JXRLSRXMPZRRPW-BETUJISGSA-N 1 0 376.479 -1.839 20 0 GAADRO Cn1cnc(S(=O)(=O)N2CCC23CN(C(=O)C2(O)CC[NH+](C)CC2)C3)c1 ZINC001274203257 1075523693 /nfs/dbraw/zinc/52/36/93/1075523693.db2.gz LFWINKNFJIRQQO-UHFFFAOYSA-N 1 0 383.474 -1.148 20 0 GAADRO CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@@H](C1)O2 ZINC001274204142 1075523813 /nfs/dbraw/zinc/52/38/13/1075523813.db2.gz RVNUNYTZERKMBA-BETUJISGSA-N 1 0 376.479 -1.839 20 0 GAADRO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]21 ZINC001274204301 1075523769 /nfs/dbraw/zinc/52/37/69/1075523769.db2.gz SWUQIARUNBDTAX-OLZOCXBDSA-N 1 0 376.479 -1.839 20 0 GAADRO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@@H]21 ZINC001274204303 1075523671 /nfs/dbraw/zinc/52/36/71/1075523671.db2.gz SWUQIARUNBDTAX-STQMWFEESA-N 1 0 376.479 -1.839 20 0 GAADRO Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)C4(O)CC[NH+](C)CC4)C3)C2)c1 ZINC001274204925 1075523662 /nfs/dbraw/zinc/52/36/62/1075523662.db2.gz YOWGQPJKZCMIJM-UHFFFAOYSA-N 1 0 383.474 -1.290 20 0 GAADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N1CCNC(=O)C1 ZINC001274227290 1075525629 /nfs/dbraw/zinc/52/56/29/1075525629.db2.gz GFCKZMVMWHDBOT-HFBPWWBXSA-N 1 0 380.445 -1.742 20 0 GAADRO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N1CCNC(=O)C1 ZINC001274227292 1075525813 /nfs/dbraw/zinc/52/58/13/1075525813.db2.gz GFCKZMVMWHDBOT-SJNVRLNZSA-N 1 0 380.445 -1.742 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCCN3S(=O)(=O)N(C)C)CC1 ZINC001274369331 1075537263 /nfs/dbraw/zinc/53/72/63/1075537263.db2.gz DMPROPQKGWMIFV-CABCVRRESA-N 1 0 389.522 -1.658 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2C[C@@H]3OCCN(S(=O)(=O)N(C)C)[C@H]3C2)CC1 ZINC001274369334 1075537293 /nfs/dbraw/zinc/53/72/93/1075537293.db2.gz DMPROPQKGWMIFV-GJZGRUSLSA-N 1 0 389.522 -1.658 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2C[C@@H]3CN(S(=O)(=O)N(C)C)C[C@H](C2)O3)CC1 ZINC001274370451 1075537505 /nfs/dbraw/zinc/53/75/05/1075537505.db2.gz QGWZXPCRYZYTMP-GASCZTMLSA-N 1 0 389.522 -1.658 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)N3S(=O)(=O)N(C)C)CC1 ZINC001274370480 1075537625 /nfs/dbraw/zinc/53/76/25/1075537625.db2.gz QLNFADDAMAVLCE-GASCZTMLSA-N 1 0 389.522 -1.658 20 0 GAADRO CS(=O)(=O)CCNC(=O)C1CC[NH+](C2CCN(C(=O)CO)CC2)CC1 ZINC001274442861 1075543468 /nfs/dbraw/zinc/54/34/68/1075543468.db2.gz GFNVUGIJTZKMCI-UHFFFAOYSA-N 1 0 375.491 -1.158 20 0 GAADRO C[NH+]1CCC(NC(=O)[C@H]2CCC3(CN(C(=O)CCS(N)(=O)=O)C3)O2)CC1 ZINC001274513269 1075549873 /nfs/dbraw/zinc/54/98/73/1075549873.db2.gz PSOARQIOHZHZHB-CYBMUJFWSA-N 1 0 388.490 -1.365 20 0 GAADRO C[NH+]1CCC(NC(=O)[C@@H]2CCC3(CN(C(=O)CCS(N)(=O)=O)C3)O2)CC1 ZINC001274513270 1075549885 /nfs/dbraw/zinc/54/98/85/1075549885.db2.gz PSOARQIOHZHZHB-ZDUSSCGKSA-N 1 0 388.490 -1.365 20 0 GAADRO C[NH+]1CCC(NC(=O)c2[nH]nc3c2CN(C(=O)CCS(N)(=O)=O)C3)CC1 ZINC001274513672 1075550167 /nfs/dbraw/zinc/55/01/67/1075550167.db2.gz SAWXYIOPNITEEM-UHFFFAOYSA-N 1 0 384.462 -1.246 20 0 GAADRO C[NH+]1CCC(NC(=O)C2=NO[C@@H]3CN(C(=O)CCS(N)(=O)=O)C[C@H]23)CC1 ZINC001274514197 1075550448 /nfs/dbraw/zinc/55/04/48/1075550448.db2.gz WNCNYNISEWGJKJ-NWDGAFQWSA-N 1 0 387.462 -1.911 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2CC[C@@H]3C[C@@]32C(=O)NCCS(C)(=O)=O)CC1 ZINC001274676081 1075558938 /nfs/dbraw/zinc/55/89/38/1075558938.db2.gz LSVVDYFTHNHHMH-PBHICJAKSA-N 1 0 386.518 -1.224 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2CC[C@H]3C[C@]32C(=O)NCCS(C)(=O)=O)CC1 ZINC001274676085 1075558856 /nfs/dbraw/zinc/55/88/56/1075558856.db2.gz LSVVDYFTHNHHMH-WMLDXEAASA-N 1 0 386.518 -1.224 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001274676095 1075558797 /nfs/dbraw/zinc/55/87/97/1075558797.db2.gz LUVSAIRDPUZOQA-RHSMWYFYSA-N 1 0 386.518 -1.367 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2CC3(C[C@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001274676519 1075558805 /nfs/dbraw/zinc/55/88/05/1075558805.db2.gz OYKRSNGNVLMANQ-AWEZNQCLSA-N 1 0 386.518 -1.367 20 0 GAADRO CC[NH+]1CCN(CC(=O)N2CC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001274676521 1075558821 /nfs/dbraw/zinc/55/88/21/1075558821.db2.gz OYKRSNGNVLMANQ-CQSZACIVSA-N 1 0 386.518 -1.367 20 0 GAADRO CC[NH+]1CCN(CC(=O)NC23CC(C(=O)NCCS(C)(=O)=O)(C2)C3)CC1 ZINC001274676925 1075558772 /nfs/dbraw/zinc/55/87/72/1075558772.db2.gz SHFVJTFJMDJOGU-UHFFFAOYSA-N 1 0 386.518 -1.176 20 0 GAADRO Cn1cnc(S(=O)(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)C[N@@H+]4C)[C@@H]3C2)c1 ZINC001274907974 1075565765 /nfs/dbraw/zinc/56/57/65/1075565765.db2.gz HYRJEOFJSLSORY-XDQVBPFNSA-N 1 0 383.474 -1.294 20 0 GAADRO Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](O)C[N@@H+]2C)c1 ZINC001274908030 1075566282 /nfs/dbraw/zinc/56/62/82/1075566282.db2.gz IYOIIKPBMKUNJM-XUXIUFHCSA-N 1 0 383.474 -1.151 20 0 GAADRO Cn1cnc(S(=O)(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H](O)C[N@@H+]4C)C3)C2)c1 ZINC001274909335 1075566175 /nfs/dbraw/zinc/56/61/75/1075566175.db2.gz WONMYOVZZNJLHL-STQMWFEESA-N 1 0 383.474 -1.292 20 0 GAADRO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C[C@@H]21 ZINC001275176048 1075570507 /nfs/dbraw/zinc/57/05/07/1075570507.db2.gz FDZHRNUOIAHFOH-IHRRRGAJSA-N 1 0 375.495 -2.050 20 0 GAADRO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C[C@H]21 ZINC001275176049 1075570542 /nfs/dbraw/zinc/57/05/42/1075570542.db2.gz FDZHRNUOIAHFOH-MCIONIFRSA-N 1 0 375.495 -2.050 20 0 GAADRO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C[C@@H]21 ZINC001275176050 1075570560 /nfs/dbraw/zinc/57/05/60/1075570560.db2.gz FDZHRNUOIAHFOH-MJBXVCDLSA-N 1 0 375.495 -2.050 20 0 GAADRO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C[C@H]21 ZINC001275176051 1075570485 /nfs/dbraw/zinc/57/04/85/1075570485.db2.gz FDZHRNUOIAHFOH-RDBSUJKOSA-N 1 0 375.495 -2.050 20 0 GAADRO Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)[C@H]4C[N@H+](C)CCN4C)C3)C2)c1 ZINC001275177283 1075570516 /nfs/dbraw/zinc/57/05/16/1075570516.db2.gz OWOWBMZFDUKPON-CYBMUJFWSA-N 1 0 382.490 -1.501 20 0 GAADRO Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)[C@@H]4C[N@H+](C)CCN4C)C3)C2)c1 ZINC001275177286 1075570526 /nfs/dbraw/zinc/57/05/26/1075570526.db2.gz OWOWBMZFDUKPON-ZDUSSCGKSA-N 1 0 382.490 -1.501 20 0 GAADRO CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C[C@@H](C1)O2 ZINC001275177400 1075570440 /nfs/dbraw/zinc/57/04/40/1075570440.db2.gz PXQPJLLAEZIHDR-HZSPNIEDSA-N 1 0 375.495 -2.050 20 0 GAADRO CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C[C@@H](C1)O2 ZINC001275177401 1075570574 /nfs/dbraw/zinc/57/05/74/1075570574.db2.gz PXQPJLLAEZIHDR-MJBXVCDLSA-N 1 0 375.495 -2.050 20 0 GAADRO CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001275178006 1075570610 /nfs/dbraw/zinc/57/06/10/1075570610.db2.gz UCYXCPXAOQOLLH-HZSPNIEDSA-N 1 0 375.495 -2.050 20 0 GAADRO CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001275178007 1075570966 /nfs/dbraw/zinc/57/09/66/1075570966.db2.gz UCYXCPXAOQOLLH-MJBXVCDLSA-N 1 0 375.495 -2.050 20 0 GAADRO Cn1cnc(S(=O)(=O)N2CCC23CN(C(=O)[C@H]2C[N@H+](C)CCN2C)C3)c1 ZINC001275178308 1075570919 /nfs/dbraw/zinc/57/09/19/1075570919.db2.gz WPVMSUTWINTCLK-CYBMUJFWSA-N 1 0 382.490 -1.359 20 0 GAADRO Cn1cnc(S(=O)(=O)N2CCC23CN(C(=O)[C@@H]2C[N@H+](C)CCN2C)C3)c1 ZINC001275178316 1075570843 /nfs/dbraw/zinc/57/08/43/1075570843.db2.gz WPVMSUTWINTCLK-ZDUSSCGKSA-N 1 0 382.490 -1.359 20 0 GAADRO 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381.477 -1.173 20 0 GAADRO CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001282642767 1074313655 /nfs/dbraw/zinc/31/36/55/1074313655.db2.gz VOOCBZKJDXXIRF-DYEKYZERSA-N 1 0 377.449 -1.033 20 0 GAADRO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNS(=O)(=O)NC)[NH+](C)C ZINC001282662498 1074313980 /nfs/dbraw/zinc/31/39/80/1074313980.db2.gz HLBDTWYUUKBWTM-VOAKCMCISA-N 1 0 375.495 -1.372 20 0 GAADRO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNS(=O)(=O)NC)[NH+](C)C ZINC001282662538 1074314315 /nfs/dbraw/zinc/31/43/15/1074314315.db2.gz HLBDTWYUUKBWTM-XQHKEYJVSA-N 1 0 375.495 -1.372 20 0 GAADRO CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)NC)C2 ZINC001282664076 1074314403 /nfs/dbraw/zinc/31/44/03/1074314403.db2.gz GIZOWTLZVKGDRD-AGIUHOORSA-N 1 0 375.495 -1.370 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001282676765 1074314265 /nfs/dbraw/zinc/31/42/65/1074314265.db2.gz NIYRFYBMTLUFGG-ILXRZTDVSA-N 1 0 381.477 -1.171 20 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GAADRO CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1 ZINC001282729169 1074315328 /nfs/dbraw/zinc/31/53/28/1074315328.db2.gz GGWOXJHEYJIVEZ-BZPMIXESSA-N 1 0 377.449 -1.033 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001282730383 1074315384 /nfs/dbraw/zinc/31/53/84/1074315384.db2.gz TZKDMDQEWPUCNA-NIFZNCRKSA-N 1 0 379.461 -1.291 20 0 GAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncnn1 ZINC001282731273 1074315762 /nfs/dbraw/zinc/31/57/62/1074315762.db2.gz WDYLGBVIKFXKNP-TUVASFSCSA-N 1 0 377.449 -1.111 20 0 GAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncnn1 ZINC001282731274 1074315738 /nfs/dbraw/zinc/31/57/38/1074315738.db2.gz WDYLGBVIKFXKNP-YJNKXOJESA-N 1 0 377.449 -1.111 20 0 GAADRO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnc(C(N)=O)n1)[NH+](C)C ZINC001282756484 1074316155 /nfs/dbraw/zinc/31/61/55/1074316155.db2.gz SVMGCKWEPYOMFA-LPWJVIDDSA-N 1 0 377.449 -1.035 20 0 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ZINC001318852740 1074407475 /nfs/dbraw/zinc/40/74/75/1074407475.db2.gz MKQOQJCCCCVYNN-OLZOCXBDSA-N 1 0 388.490 -1.794 20 0 GAADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC001318852741 1074407517 /nfs/dbraw/zinc/40/75/17/1074407517.db2.gz MKQOQJCCCCVYNN-QWHCGFSZSA-N 1 0 388.490 -1.794 20 0 GAADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O ZINC001318852742 1074407487 /nfs/dbraw/zinc/40/74/87/1074407487.db2.gz MKQOQJCCCCVYNN-STQMWFEESA-N 1 0 388.490 -1.794 20 0 GAADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1-n1cnnn1 ZINC001318854517 1074407227 /nfs/dbraw/zinc/40/72/27/1074407227.db2.gz NBAPRWYDECPSCM-CYBMUJFWSA-N 1 0 388.432 -1.029 20 0 GAADRO COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1-n1cnnn1 ZINC001318854523 1074407390 /nfs/dbraw/zinc/40/73/90/1074407390.db2.gz NBAPRWYDECPSCM-ZDUSSCGKSA-N 1 0 388.432 -1.029 20 0 GAADRO O=C(NCCCN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001318871349 1074407915 /nfs/dbraw/zinc/40/79/15/1074407915.db2.gz LLQILFYGIDAJKL-AWEZNQCLSA-N 1 0 382.465 -1.366 20 0 GAADRO O=C(NCCCN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001318871357 1074407939 /nfs/dbraw/zinc/40/79/39/1074407939.db2.gz LLQILFYGIDAJKL-CQSZACIVSA-N 1 0 382.465 -1.366 20 0 GAADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001319012269 1074411154 /nfs/dbraw/zinc/41/11/54/1074411154.db2.gz ILJLISQOVNIJQX-CYBMUJFWSA-N 1 0 377.401 -1.284 20 0 GAADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001319012270 1074411303 /nfs/dbraw/zinc/41/13/03/1074411303.db2.gz ILJLISQOVNIJQX-ZDUSSCGKSA-N 1 0 377.401 -1.284 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001319034143 1074412428 /nfs/dbraw/zinc/41/24/28/1074412428.db2.gz OMPNUQCPQDIHFG-CYBMUJFWSA-N 1 0 376.479 -1.794 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001319034147 1074412342 /nfs/dbraw/zinc/41/23/42/1074412342.db2.gz OMPNUQCPQDIHFG-ZDUSSCGKSA-N 1 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CN1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1=O ZINC001319247438 1074418451 /nfs/dbraw/zinc/41/84/51/1074418451.db2.gz FITAOIDPGPWGSF-NSHDSACASA-N 1 0 379.421 -2.154 20 0 GAADRO CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001319247476 1074418404 /nfs/dbraw/zinc/41/84/04/1074418404.db2.gz HKSAMQSMGBTUSH-UHFFFAOYSA-N 1 0 395.464 -1.518 20 0 GAADRO CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC001319248115 1074418415 /nfs/dbraw/zinc/41/84/15/1074418415.db2.gz KHFBPGFYAUALSE-UHFFFAOYSA-N 1 0 393.448 -1.810 20 0 GAADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC001319248372 1074418390 /nfs/dbraw/zinc/41/83/90/1074418390.db2.gz QYMGAGTUNWOSCU-CYBMUJFWSA-N 1 0 378.433 -1.109 20 0 GAADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC001319248373 1074418306 /nfs/dbraw/zinc/41/83/06/1074418306.db2.gz QYMGAGTUNWOSCU-ZDUSSCGKSA-N 1 0 378.433 -1.109 20 0 GAADRO CN(CCn1cccn1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001319248821 1074418384 /nfs/dbraw/zinc/41/83/84/1074418384.db2.gz NWBUFDOZJJLCDW-UHFFFAOYSA-N 1 0 390.448 -1.146 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCn2cccn2)cn1 ZINC001319250246 1074418362 /nfs/dbraw/zinc/41/83/62/1074418362.db2.gz XCNFIEYFHICLTH-UHFFFAOYSA-N 1 0 376.421 -1.488 20 0 GAADRO COC[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC001319250358 1074418283 /nfs/dbraw/zinc/41/82/83/1074418283.db2.gz ZQSUPNDXSBKWOA-CYBMUJFWSA-N 1 0 380.449 -1.006 20 0 GAADRO COC[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC001319250360 1074418297 /nfs/dbraw/zinc/41/82/97/1074418297.db2.gz ZQSUPNDXSBKWOA-ZDUSSCGKSA-N 1 0 380.449 -1.006 20 0 GAADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(CCO)CC2)cc1 ZINC001319298901 1074419170 /nfs/dbraw/zinc/41/91/70/1074419170.db2.gz OAPSKRZIIKLQQD-UHFFFAOYSA-N 1 0 384.502 -1.007 20 0 GAADRO C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001319331718 1074419821 /nfs/dbraw/zinc/41/98/21/1074419821.db2.gz LQGNIVFEIDDYHQ-CYBMUJFWSA-N 1 0 390.448 -1.099 20 0 GAADRO C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001319331720 1074419751 /nfs/dbraw/zinc/41/97/51/1074419751.db2.gz LQGNIVFEIDDYHQ-ZDUSSCGKSA-N 1 0 390.448 -1.099 20 0 GAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC001319335961 1074419784 /nfs/dbraw/zinc/41/97/84/1074419784.db2.gz BIDDSLQQTDHPPL-CYBMUJFWSA-N 1 0 378.433 -1.063 20 0 GAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC001319335968 1074419848 /nfs/dbraw/zinc/41/98/48/1074419848.db2.gz BIDDSLQQTDHPPL-ZDUSSCGKSA-N 1 0 378.433 -1.063 20 0 GAADRO CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001319346143 1074420421 /nfs/dbraw/zinc/42/04/21/1074420421.db2.gz BKAZWCPLFZSWFN-UHFFFAOYSA-N 1 0 395.464 -1.612 20 0 GAADRO C[C@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCN1CCCN1C(=O)CNC1=O ZINC001319367282 1074422191 /nfs/dbraw/zinc/42/21/91/1074422191.db2.gz WLTXJVQYQQPVJV-ZDUSSCGKSA-N 1 0 380.449 -1.124 20 0 GAADRO CN(C)C(=O)[C@H]1C[N@H+](CCN2CCOCC2)CCN1CCN1CCOCC1 ZINC001319381278 1074422706 /nfs/dbraw/zinc/42/27/06/1074422706.db2.gz PKCYCARWCJKQHV-GOSISDBHSA-N 1 0 383.537 -1.275 20 0 GAADRO CN(C)C(=O)[C@@H]1C[N@H+](CCN2CCOCC2)CCN1CCN1CCOCC1 ZINC001319381280 1074422655 /nfs/dbraw/zinc/42/26/55/1074422655.db2.gz PKCYCARWCJKQHV-SFHVURJKSA-N 1 0 383.537 -1.275 20 0 GAADRO CNC(=O)C1([NH2+]CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC001319385415 1074423338 /nfs/dbraw/zinc/42/33/38/1074423338.db2.gz NJGCHJIIPKXXNX-AWEZNQCLSA-N 1 0 386.518 -1.034 20 0 GAADRO CNC(=O)C1([NH2+]CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC001319385419 1074423404 /nfs/dbraw/zinc/42/34/04/1074423404.db2.gz NJGCHJIIPKXXNX-CQSZACIVSA-N 1 0 386.518 -1.034 20 0 GAADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COC[C@H]2CCCO2)[C@@H](N2CCOCC2)C1 ZINC001319388156 1074423705 /nfs/dbraw/zinc/42/37/05/1074423705.db2.gz FPQUOXLWXAWRLL-FZKCQIBNSA-N 1 0 378.491 -1.370 20 0 GAADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COC[C@@H]2CCCO2)[C@@H](N2CCOCC2)C1 ZINC001319388157 1074423613 /nfs/dbraw/zinc/42/36/13/1074423613.db2.gz FPQUOXLWXAWRLL-VGWMRTNUSA-N 1 0 378.491 -1.370 20 0 GAADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COC[C@H]2CCCO2)[C@H](N2CCOCC2)C1 ZINC001319388158 1074423883 /nfs/dbraw/zinc/42/38/83/1074423883.db2.gz FPQUOXLWXAWRLL-XUWVNRHRSA-N 1 0 378.491 -1.370 20 0 GAADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COC[C@@H]2CCCO2)[C@H](N2CCOCC2)C1 ZINC001319388159 1074423686 /nfs/dbraw/zinc/42/36/86/1074423686.db2.gz FPQUOXLWXAWRLL-YHUYYLMFSA-N 1 0 378.491 -1.370 20 0 GAADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC001319388454 1074423813 /nfs/dbraw/zinc/42/38/13/1074423813.db2.gz HORUGIRILLFSSX-UHFFFAOYSA-N 1 0 375.539 -1.119 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCc3c[nH]nc3C2)cn1 ZINC001319399253 1074424429 /nfs/dbraw/zinc/42/44/29/1074424429.db2.gz PSSYAHGRDVPJMK-UHFFFAOYSA-N 1 0 388.432 -1.193 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001319418644 1074425352 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CCC[C@H]1CN(CCN2C(=O)CNC2=O)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001319604899 1074430138 /nfs/dbraw/zinc/43/01/38/1074430138.db2.gz YKMAQPGEZLXSSH-ZDUSSCGKSA-N 1 0 380.449 -1.124 20 0 GAADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC001319704089 1074432797 /nfs/dbraw/zinc/43/27/97/1074432797.db2.gz XKIYOURPDZHCTG-UHFFFAOYSA-N 1 0 396.448 -1.625 20 0 GAADRO CN1C(=O)NC2(CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C1=O ZINC001319774366 1074433908 /nfs/dbraw/zinc/43/39/08/1074433908.db2.gz OTUZZZVAISJYHV-UHFFFAOYSA-N 1 0 389.416 -1.550 20 0 GAADRO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC001319784272 1074433787 /nfs/dbraw/zinc/43/37/87/1074433787.db2.gz PKFKNUWMGKVKKY-CHWSQXEVSA-N 1 0 378.433 -1.145 20 0 GAADRO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC001319784273 1074433999 /nfs/dbraw/zinc/43/39/99/1074433999.db2.gz PKFKNUWMGKVKKY-OLZOCXBDSA-N 1 0 378.433 -1.145 20 0 GAADRO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC001319784274 1074433955 /nfs/dbraw/zinc/43/39/55/1074433955.db2.gz PKFKNUWMGKVKKY-QWHCGFSZSA-N 1 0 378.433 -1.145 20 0 GAADRO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC001319784275 1074434044 /nfs/dbraw/zinc/43/40/44/1074434044.db2.gz PKFKNUWMGKVKKY-STQMWFEESA-N 1 0 378.433 -1.145 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CCOCC2)cn1 ZINC001319810598 1074435212 /nfs/dbraw/zinc/43/52/12/1074435212.db2.gz AEJSAVABJNKIJT-UHFFFAOYSA-N 1 0 395.464 -2.052 20 0 GAADRO CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001319811203 1074435187 /nfs/dbraw/zinc/43/51/87/1074435187.db2.gz FOYZFQSPWYCGOZ-LLVKDONJSA-N 1 0 381.437 -1.860 20 0 GAADRO CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001319811204 1074435169 /nfs/dbraw/zinc/43/51/69/1074435169.db2.gz FOYZFQSPWYCGOZ-NSHDSACASA-N 1 0 381.437 -1.860 20 0 GAADRO NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001319842575 1074435901 /nfs/dbraw/zinc/43/59/01/1074435901.db2.gz OKQHVAPHAUABPS-CYBMUJFWSA-N 1 0 387.444 -1.036 20 0 GAADRO NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001319842576 1074435932 /nfs/dbraw/zinc/43/59/32/1074435932.db2.gz OKQHVAPHAUABPS-ZDUSSCGKSA-N 1 0 387.444 -1.036 20 0 GAADRO CC[NH+](CC)CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC001319908517 1074437767 /nfs/dbraw/zinc/43/77/67/1074437767.db2.gz KMCGMOOSZAIEGC-KBPBESRZSA-N 1 0 390.506 -1.276 20 0 GAADRO CC[NH+](CC)CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001319908518 1074437796 /nfs/dbraw/zinc/43/77/96/1074437796.db2.gz KMCGMOOSZAIEGC-KGLIPLIRSA-N 1 0 390.506 -1.276 20 0 GAADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC001319959145 1074439013 /nfs/dbraw/zinc/43/90/13/1074439013.db2.gz COEZRPQZGFCDAV-HNNXBMFYSA-N 1 0 391.476 -1.194 20 0 GAADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC001319959150 1074438898 /nfs/dbraw/zinc/43/88/98/1074438898.db2.gz COEZRPQZGFCDAV-OAHLLOKOSA-N 1 0 391.476 -1.194 20 0 GAADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC001319960149 1074439023 /nfs/dbraw/zinc/43/90/23/1074439023.db2.gz LOXSESPPFOTCAY-HNNXBMFYSA-N 1 0 394.476 -1.009 20 0 GAADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC001319960151 1074438918 /nfs/dbraw/zinc/43/89/18/1074438918.db2.gz LOXSESPPFOTCAY-OAHLLOKOSA-N 1 0 394.476 -1.009 20 0 GAADRO C[C@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)S(N)(=O)=O ZINC001319977657 1074439515 /nfs/dbraw/zinc/43/95/15/1074439515.db2.gz GBFJGXSQRIDZGL-GFCCVEGCSA-N 1 0 398.489 -1.757 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)S(N)(=O)=O ZINC001319977659 1074440287 /nfs/dbraw/zinc/44/02/87/1074440287.db2.gz GBFJGXSQRIDZGL-LBPRGKRZSA-N 1 0 398.489 -1.757 20 0 GAADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)n1 ZINC001320003363 1074440973 /nfs/dbraw/zinc/44/09/73/1074440973.db2.gz FRKZZGOLVBEORW-CYBMUJFWSA-N 1 0 395.464 -1.126 20 0 GAADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)n1 ZINC001320003365 1074440989 /nfs/dbraw/zinc/44/09/89/1074440989.db2.gz FRKZZGOLVBEORW-ZDUSSCGKSA-N 1 0 395.464 -1.126 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)C1 ZINC001320006391 1074441503 /nfs/dbraw/zinc/44/15/03/1074441503.db2.gz XVRYFWUXRNYLIR-CYBMUJFWSA-N 1 0 395.464 -1.222 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)C1 ZINC001320006393 1074441437 /nfs/dbraw/zinc/44/14/37/1074441437.db2.gz XVRYFWUXRNYLIR-ZDUSSCGKSA-N 1 0 395.464 -1.222 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(CO)CCC2)cn1 ZINC001320050351 1074442016 /nfs/dbraw/zinc/44/20/16/1074442016.db2.gz HOLVGQPLPKJGNF-UHFFFAOYSA-N 1 0 380.449 -1.222 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)CC1 ZINC001320088612 1074443184 /nfs/dbraw/zinc/44/31/84/1074443184.db2.gz NRIMLYGOZUDQCW-HNNXBMFYSA-N 1 0 383.493 -1.521 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)CC1 ZINC001320088613 1074443223 /nfs/dbraw/zinc/44/32/23/1074443223.db2.gz NRIMLYGOZUDQCW-OAHLLOKOSA-N 1 0 383.493 -1.521 20 0 GAADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001320092634 1074443149 /nfs/dbraw/zinc/44/31/49/1074443149.db2.gz KBOXEWCLSFHGRM-KRWDZBQOSA-N 1 0 378.433 -1.615 20 0 GAADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC001320092635 1074443212 /nfs/dbraw/zinc/44/32/12/1074443212.db2.gz KBOXEWCLSFHGRM-QGZVFWFLSA-N 1 0 378.433 -1.615 20 0 GAADRO C[C@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)S(N)(=O)=O ZINC001320097965 1074443152 /nfs/dbraw/zinc/44/31/52/1074443152.db2.gz LAYYYYWNZMFEGG-GFCCVEGCSA-N 1 0 383.474 -1.045 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)S(N)(=O)=O ZINC001320098266 1074443172 /nfs/dbraw/zinc/44/31/72/1074443172.db2.gz LAYYYYWNZMFEGG-LBPRGKRZSA-N 1 0 383.474 -1.045 20 0 GAADRO COC(=O)c1cn(C2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)nn1 ZINC001320154174 1074444324 /nfs/dbraw/zinc/44/43/24/1074444324.db2.gz SGIQZWRCKHVYNP-UHFFFAOYSA-N 1 0 377.405 -1.105 20 0 GAADRO Cn1c2ncn(CC[NH2+][C@H](CC(N)=O)C3CCOCC3)c2c(=O)n(C)c1=O ZINC001320220244 1074445038 /nfs/dbraw/zinc/44/50/38/1074445038.db2.gz JKGMBTUAMCAJIL-GFCCVEGCSA-N 1 0 378.433 -1.306 20 0 GAADRO Cn1c2ncn(CC[NH2+][C@@H](CC(N)=O)C3CCOCC3)c2c(=O)n(C)c1=O ZINC001320220248 1074444897 /nfs/dbraw/zinc/44/48/97/1074444897.db2.gz JKGMBTUAMCAJIL-LBPRGKRZSA-N 1 0 378.433 -1.306 20 0 GAADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC001320233812 1074445491 /nfs/dbraw/zinc/44/54/91/1074445491.db2.gz CLAYYJMFWXYMKN-LLVKDONJSA-N 1 0 384.458 -1.014 20 0 GAADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC001320233813 1074445493 /nfs/dbraw/zinc/44/54/93/1074445493.db2.gz CLAYYJMFWXYMKN-NSHDSACASA-N 1 0 384.458 -1.014 20 0 GAADRO CO[C@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCOC1 ZINC001320238370 1074445478 /nfs/dbraw/zinc/44/54/78/1074445478.db2.gz ZVXVSKRBUGBFMU-KRWDZBQOSA-N 1 0 396.448 -1.579 20 0 GAADRO CO[C@@]1(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCOC1 ZINC001320238371 1074445504 /nfs/dbraw/zinc/44/55/04/1074445504.db2.gz ZVXVSKRBUGBFMU-QGZVFWFLSA-N 1 0 396.448 -1.579 20 0 GAADRO Cn1c2ncn(CC(=O)N3CCC([N@H+](C)CCCO)CC3)c2c(=O)n(C)c1=O ZINC001320248454 1074446205 /nfs/dbraw/zinc/44/62/05/1074446205.db2.gz VGVAFEZDARWBMC-UHFFFAOYSA-N 1 0 392.460 -1.261 20 0 GAADRO CC(=O)N1CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001320280671 1074446757 /nfs/dbraw/zinc/44/67/57/1074446757.db2.gz JXBVIFYSDPKODK-FPCVCCKLSA-N 1 0 382.461 -1.689 20 0 GAADRO CC(=O)N1CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001320280673 1074446733 /nfs/dbraw/zinc/44/67/33/1074446733.db2.gz JXBVIFYSDPKODK-JJXSEGSLSA-N 1 0 382.461 -1.689 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC(F)(F)CO)cn1 ZINC001320285878 1074446694 /nfs/dbraw/zinc/44/66/94/1074446694.db2.gz QBZQTNYVGNHYEO-UHFFFAOYSA-N 1 0 376.364 -1.757 20 0 GAADRO Cn1c2ncn(CC[NH+]3CCC(CS(N)(=O)=O)CC3)c2c(=O)n(C)c1=O ZINC001320287565 1074446638 /nfs/dbraw/zinc/44/66/38/1074446638.db2.gz KEIJDZCNISJCAT-UHFFFAOYSA-N 1 0 384.462 -1.566 20 0 GAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC001320341991 1074447711 /nfs/dbraw/zinc/44/77/11/1074447711.db2.gz HFKDAZDGGXKADU-GOSISDBHSA-N 1 0 389.412 -1.140 20 0 GAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC001320341992 1074447914 /nfs/dbraw/zinc/44/79/14/1074447914.db2.gz HFKDAZDGGXKADU-SFHVURJKSA-N 1 0 389.412 -1.140 20 0 GAADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001320353521 1074447784 /nfs/dbraw/zinc/44/77/84/1074447784.db2.gz SVOBCPWWYWKKOI-INIZCTEOSA-N 1 0 396.488 -1.201 20 0 GAADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001320353522 1074447866 /nfs/dbraw/zinc/44/78/66/1074447866.db2.gz SVOBCPWWYWKKOI-MRXNPFEDSA-N 1 0 396.488 -1.201 20 0 GAADRO COCCCS(=O)(=O)NCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001320354422 1074447927 /nfs/dbraw/zinc/44/79/27/1074447927.db2.gz ZTEJVAIPKGQFIR-UHFFFAOYSA-N 1 0 393.506 -1.372 20 0 GAADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001320355647 1074447812 /nfs/dbraw/zinc/44/78/12/1074447812.db2.gz WROJPTAVLWBELC-CYBMUJFWSA-N 1 0 391.476 -1.424 20 0 GAADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001320355649 1074447763 /nfs/dbraw/zinc/44/77/63/1074447763.db2.gz WROJPTAVLWBELC-ZDUSSCGKSA-N 1 0 391.476 -1.424 20 0 GAADRO CCN(C)C(=O)CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001320385954 1074448372 /nfs/dbraw/zinc/44/83/72/1074448372.db2.gz KUABQKVHXLOPHE-UHFFFAOYSA-N 1 0 381.437 -1.906 20 0 GAADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC001320427272 1074449612 /nfs/dbraw/zinc/44/96/12/1074449612.db2.gz DQWPCRVCOYJIRB-UHFFFAOYSA-N 1 0 396.448 -1.889 20 0 GAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC001320512158 1074451194 /nfs/dbraw/zinc/45/11/94/1074451194.db2.gz BGVUSUSNNQZMMU-GOSISDBHSA-N 1 0 375.429 -1.256 20 0 GAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC001320512159 1074451248 /nfs/dbraw/zinc/45/12/48/1074451248.db2.gz BGVUSUSNNQZMMU-SFHVURJKSA-N 1 0 375.429 -1.256 20 0 GAADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001320553725 1074452899 /nfs/dbraw/zinc/45/28/99/1074452899.db2.gz MJXGLGAAWCEJAJ-KFWWJZLASA-N 1 0 386.518 -1.049 20 0 GAADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001320553727 1074452781 /nfs/dbraw/zinc/45/27/81/1074452781.db2.gz MJXGLGAAWCEJAJ-RBSFLKMASA-N 1 0 386.518 -1.049 20 0 GAADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001320553729 1074452827 /nfs/dbraw/zinc/45/28/27/1074452827.db2.gz MJXGLGAAWCEJAJ-RRFJBIMHSA-N 1 0 386.518 -1.049 20 0 GAADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001320553731 1074452797 /nfs/dbraw/zinc/45/27/97/1074452797.db2.gz MJXGLGAAWCEJAJ-ZNMIVQPWSA-N 1 0 386.518 -1.049 20 0 GAADRO CNC(=O)C1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC001320568605 1074453489 /nfs/dbraw/zinc/45/34/89/1074453489.db2.gz KGLAFSFADYGFHT-UHFFFAOYSA-N 1 0 379.421 -2.296 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CC=CC2)cn1 ZINC001320580471 1074453991 /nfs/dbraw/zinc/45/39/91/1074453991.db2.gz TZPFWRYYGDLTBX-UHFFFAOYSA-N 1 0 377.449 -1.513 20 0 GAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 ZINC001320589181 1074454785 /nfs/dbraw/zinc/45/47/85/1074454785.db2.gz MVNYUQOPCJJSBF-LLVKDONJSA-N 1 0 377.405 -2.448 20 0 GAADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)n1 ZINC001320589182 1074454721 /nfs/dbraw/zinc/45/47/21/1074454721.db2.gz MVNYUQOPCJJSBF-NSHDSACASA-N 1 0 377.405 -2.448 20 0 GAADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001320589771 1074454679 /nfs/dbraw/zinc/45/46/79/1074454679.db2.gz APNIVLHLDIVQLJ-UHFFFAOYSA-N 1 0 396.448 -1.625 20 0 GAADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC001320589820 1074454767 /nfs/dbraw/zinc/45/47/67/1074454767.db2.gz BEOAGQKTTZUWNO-UHFFFAOYSA-N 1 0 392.416 -1.687 20 0 GAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320595351 1074455330 /nfs/dbraw/zinc/45/53/30/1074455330.db2.gz GYLYVAPSSBFHPD-AWEZNQCLSA-N 1 0 382.465 -1.465 20 0 GAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320595355 1074455132 /nfs/dbraw/zinc/45/51/32/1074455132.db2.gz GYLYVAPSSBFHPD-CQSZACIVSA-N 1 0 382.465 -1.465 20 0 GAADRO COCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC001320600383 1074455785 /nfs/dbraw/zinc/45/57/85/1074455785.db2.gz VXMUGSUKPZAEIL-HNNXBMFYSA-N 1 0 394.476 -1.009 20 0 GAADRO COCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC001320600384 1074455772 /nfs/dbraw/zinc/45/57/72/1074455772.db2.gz VXMUGSUKPZAEIL-OAHLLOKOSA-N 1 0 394.476 -1.009 20 0 GAADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC001320612197 1074456416 /nfs/dbraw/zinc/45/64/16/1074456416.db2.gz QIDJPZMLTASJLE-UHFFFAOYSA-N 1 0 396.448 -1.625 20 0 GAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001320630572 1074457455 /nfs/dbraw/zinc/45/74/55/1074457455.db2.gz TUQNGZVBUQWJFT-CYBMUJFWSA-N 1 0 394.480 -2.096 20 0 GAADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)C2 ZINC001320630573 1074457554 /nfs/dbraw/zinc/45/75/54/1074457554.db2.gz TUQNGZVBUQWJFT-ZDUSSCGKSA-N 1 0 394.480 -2.096 20 0 GAADRO COc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001320675629 1074459166 /nfs/dbraw/zinc/45/91/66/1074459166.db2.gz BZYSRUNLNRYQRP-CYBMUJFWSA-N 1 0 380.449 -1.110 20 0 GAADRO COc1nn(C)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001320675636 1074459132 /nfs/dbraw/zinc/45/91/32/1074459132.db2.gz BZYSRUNLNRYQRP-ZDUSSCGKSA-N 1 0 380.449 -1.110 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)cn1 ZINC001320679511 1074459186 /nfs/dbraw/zinc/45/91/86/1074459186.db2.gz ZGLZPZJJUOVRFO-PXAZEXFGSA-N 1 0 378.433 -1.660 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)cn1 ZINC001320679514 1074459298 /nfs/dbraw/zinc/45/92/98/1074459298.db2.gz ZGLZPZJJUOVRFO-YVEFUNNKSA-N 1 0 378.433 -1.660 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)cn1 ZINC001320690065 1074459208 /nfs/dbraw/zinc/45/92/08/1074459208.db2.gz CCRVECXNVNEFFS-ZIAGYGMSSA-N 1 0 380.449 -1.081 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCNC(=O)CC2)cn1 ZINC001320710887 1074460460 /nfs/dbraw/zinc/46/04/60/1074460460.db2.gz FKATWGFFAJTAMA-UHFFFAOYSA-N 1 0 379.421 -2.152 20 0 GAADRO COc1ncncc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001320711500 1074460314 /nfs/dbraw/zinc/46/03/14/1074460314.db2.gz RLESYZYAGVLBFL-CYBMUJFWSA-N 1 0 378.433 -1.054 20 0 GAADRO COc1ncncc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001320711504 1074460278 /nfs/dbraw/zinc/46/02/78/1074460278.db2.gz RLESYZYAGVLBFL-ZDUSSCGKSA-N 1 0 378.433 -1.054 20 0 GAADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)c2)CC1 ZINC001320715344 1074461125 /nfs/dbraw/zinc/46/11/25/1074461125.db2.gz RVGPCHDYPMCSKA-IYBDPMFKSA-N 1 0 390.440 -1.114 20 0 GAADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001320780952 1074463069 /nfs/dbraw/zinc/46/30/69/1074463069.db2.gz ACZRUESFFQODMC-BLLLJJGKSA-N 1 0 388.490 -1.029 20 0 GAADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001320780953 1074463038 /nfs/dbraw/zinc/46/30/38/1074463038.db2.gz ACZRUESFFQODMC-LRDDRELGSA-N 1 0 388.490 -1.029 20 0 GAADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001320780954 1074463056 /nfs/dbraw/zinc/46/30/56/1074463056.db2.gz ACZRUESFFQODMC-MLGOLLRUSA-N 1 0 388.490 -1.029 20 0 GAADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001320780955 1074463064 /nfs/dbraw/zinc/46/30/64/1074463064.db2.gz ACZRUESFFQODMC-WBMJQRKESA-N 1 0 388.490 -1.029 20 0 GAADRO CS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001320787579 1074462937 /nfs/dbraw/zinc/46/29/37/1074462937.db2.gz LKLRTTQNYFCICL-HNNXBMFYSA-N 1 0 389.522 -1.417 20 0 GAADRO CS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001320787582 1074462992 /nfs/dbraw/zinc/46/29/92/1074462992.db2.gz LKLRTTQNYFCICL-OAHLLOKOSA-N 1 0 389.522 -1.417 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)cn1 ZINC001320844516 1074464115 /nfs/dbraw/zinc/46/41/15/1074464115.db2.gz AIMQTPVUOWLAEW-SNVBAGLBSA-N 1 0 394.354 -1.461 20 0 GAADRO O=C(NCCN1CCCOCC1)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001320858362 1074464325 /nfs/dbraw/zinc/46/43/25/1074464325.db2.gz NKSKYXPILUGIFH-UHFFFAOYSA-N 1 0 394.476 -1.008 20 0 GAADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC001320858868 1074464754 /nfs/dbraw/zinc/46/47/54/1074464754.db2.gz NAKLMTNGMZGYIT-UONOGXRCSA-N 1 0 395.460 -1.221 20 0 GAADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC001320858869 1074464763 /nfs/dbraw/zinc/46/47/63/1074464763.db2.gz NAKLMTNGMZGYIT-ZIAGYGMSSA-N 1 0 395.460 -1.221 20 0 GAADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)NCCO)cc1 ZINC001320895116 1074465347 /nfs/dbraw/zinc/46/53/47/1074465347.db2.gz NZSQNBPJOUXBMW-UHFFFAOYSA-N 1 0 379.417 -1.260 20 0 GAADRO CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001320918953 1074465734 /nfs/dbraw/zinc/46/57/34/1074465734.db2.gz KGOJOQHXHGUDHE-GFCCVEGCSA-N 1 0 395.464 -1.660 20 0 GAADRO CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001320919266 1074465604 /nfs/dbraw/zinc/46/56/04/1074465604.db2.gz KGOJOQHXHGUDHE-LBPRGKRZSA-N 1 0 395.464 -1.660 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(CCO)C2CCC2)cn1 ZINC001320936267 1074466322 /nfs/dbraw/zinc/46/63/22/1074466322.db2.gz UYXZTSSCPNVLPZ-UHFFFAOYSA-N 1 0 380.449 -1.127 20 0 GAADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)n2)CC1 ZINC001320950824 1074466690 /nfs/dbraw/zinc/46/66/90/1074466690.db2.gz AETDALQWFDAMQS-UHFFFAOYSA-N 1 0 377.449 -1.364 20 0 GAADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)c2c(=O)n(C)c1=O ZINC001320965158 1074467466 /nfs/dbraw/zinc/46/74/66/1074467466.db2.gz SRVPNEAMHZZKPV-INIZCTEOSA-N 1 0 375.389 -1.892 20 0 GAADRO Cn1c2ncn(CC[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)c2c(=O)n(C)c1=O ZINC001320965161 1074467421 /nfs/dbraw/zinc/46/74/21/1074467421.db2.gz SRVPNEAMHZZKPV-MRXNPFEDSA-N 1 0 375.389 -1.892 20 0 GAADRO C[NH+]1CCN(C2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001321005177 1074468004 /nfs/dbraw/zinc/46/80/04/1074468004.db2.gz NWMAKAUTARDYHL-CYBMUJFWSA-N 1 0 397.501 -1.390 20 0 GAADRO C[NH+]1CCN(C2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001321005178 1074467982 /nfs/dbraw/zinc/46/79/82/1074467982.db2.gz NWMAKAUTARDYHL-ZDUSSCGKSA-N 1 0 397.501 -1.390 20 0 GAADRO CNS(=O)(=O)[C@@H]1CCN(CC(O)C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC001321008419 1074467789 /nfs/dbraw/zinc/46/77/89/1074467789.db2.gz VEDHMXQQNUGBCI-CHWSQXEVSA-N 1 0 384.524 -2.406 20 0 GAADRO CNS(=O)(=O)[C@H]1CCN(CC(O)C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC001321008429 1074468369 /nfs/dbraw/zinc/46/83/69/1074468369.db2.gz VEDHMXQQNUGBCI-STQMWFEESA-N 1 0 384.524 -2.406 20 0 GAADRO CNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC001321008431 1074468394 /nfs/dbraw/zinc/46/83/94/1074468394.db2.gz VEDHMXQQNUGBCI-XYYAHUGASA-N 1 0 384.524 -2.406 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC001321070066 1074469309 /nfs/dbraw/zinc/46/93/09/1074469309.db2.gz JMGOMTUYDWJPKX-CYBMUJFWSA-N 1 0 380.449 -1.125 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001321070067 1074469355 /nfs/dbraw/zinc/46/93/55/1074469355.db2.gz JMGOMTUYDWJPKX-ZDUSSCGKSA-N 1 0 380.449 -1.125 20 0 GAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC001321137597 1074470541 /nfs/dbraw/zinc/47/05/41/1074470541.db2.gz YRLBGZRCWGUEPJ-GOSISDBHSA-N 1 0 389.412 -1.140 20 0 GAADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC001321137598 1074470665 /nfs/dbraw/zinc/47/06/65/1074470665.db2.gz YRLBGZRCWGUEPJ-SFHVURJKSA-N 1 0 389.412 -1.140 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCC(O)CC1 ZINC001321154117 1074470507 /nfs/dbraw/zinc/47/05/07/1074470507.db2.gz MJDLLEZNOWXZKI-UHFFFAOYSA-N 1 0 398.504 -1.001 20 0 GAADRO C[NH+]1CCN(c2ccc(CNC(=O)Cn3cc(S(N)(=O)=O)cn3)cn2)CC1 ZINC001321182845 1074471078 /nfs/dbraw/zinc/47/10/78/1074471078.db2.gz CTRWNHYPNFEBRR-UHFFFAOYSA-N 1 0 393.473 -1.006 20 0 GAADRO NC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC001321246608 1074472599 /nfs/dbraw/zinc/47/25/99/1074472599.db2.gz GXYVADKWGRTCBN-ZDUSSCGKSA-N 1 0 378.433 -1.122 20 0 GAADRO C[NH+]1CCN(c2ncccc2CNC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001321309137 1074473712 /nfs/dbraw/zinc/47/37/12/1074473712.db2.gz JSCASGQQLPZXBI-UHFFFAOYSA-N 1 0 393.473 -1.006 20 0 GAADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001321319498 1074474385 /nfs/dbraw/zinc/47/43/85/1074474385.db2.gz UCLNDYMBQMXRAG-UHFFFAOYSA-N 1 0 381.477 -1.262 20 0 GAADRO Cn1cc(CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001321341431 1074475349 /nfs/dbraw/zinc/47/53/49/1074475349.db2.gz VLXPTFIQEKWRDV-UHFFFAOYSA-N 1 0 376.461 -1.155 20 0 GAADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC001321349533 1074475891 /nfs/dbraw/zinc/47/58/91/1074475891.db2.gz OCXVLQBLEYINRK-UHFFFAOYSA-N 1 0 399.473 -1.141 20 0 GAADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC001321352554 1074475986 /nfs/dbraw/zinc/47/59/86/1074475986.db2.gz NQNVXPYHJFMWLW-UHFFFAOYSA-N 1 0 393.488 -1.120 20 0 GAADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001321371553 1074476411 /nfs/dbraw/zinc/47/64/11/1074476411.db2.gz PACSRKRVUXOZGT-UHFFFAOYSA-N 1 0 390.506 -1.243 20 0 GAADRO COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCS(=O)(=O)CC1 ZINC001321381396 1074476880 /nfs/dbraw/zinc/47/68/80/1074476880.db2.gz FDBDMKMKLUTPSD-GFCCVEGCSA-N 1 0 389.474 -1.367 20 0 GAADRO COC(=O)C1(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCS(=O)(=O)CC1 ZINC001321381398 1074476909 /nfs/dbraw/zinc/47/69/09/1074476909.db2.gz FDBDMKMKLUTPSD-LBPRGKRZSA-N 1 0 389.474 -1.367 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001321393515 1074476849 /nfs/dbraw/zinc/47/68/49/1074476849.db2.gz HJXBHTCMPSZPPG-UHFFFAOYSA-N 1 0 390.506 -1.293 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001321399694 1074477505 /nfs/dbraw/zinc/47/75/05/1074477505.db2.gz MKXXOFFWTZFGBD-UHFFFAOYSA-N 1 0 388.490 -1.492 20 0 GAADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001321403303 1074477415 /nfs/dbraw/zinc/47/74/15/1074477415.db2.gz NRJGNPGSDYUWKT-UHFFFAOYSA-N 1 0 381.477 -1.218 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)NCc1cc(C(N)=O)no1)N1CC[NH+](C)CC1 ZINC001321420915 1074477857 /nfs/dbraw/zinc/47/78/57/1074477857.db2.gz BWCSTDXYRDWDLX-AWEZNQCLSA-N 1 0 380.449 -1.222 20 0 GAADRO CC(C)[C@@H](CNC(=O)C(=O)NCc1cc(C(N)=O)no1)N1CC[NH+](C)CC1 ZINC001321420925 1074477827 /nfs/dbraw/zinc/47/78/27/1074477827.db2.gz BWCSTDXYRDWDLX-CQSZACIVSA-N 1 0 380.449 -1.222 20 0 GAADRO COCCN1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC001321422718 1074478426 /nfs/dbraw/zinc/47/84/26/1074478426.db2.gz ISGSKPHXYPBNDL-HNNXBMFYSA-N 1 0 384.477 -1.223 20 0 GAADRO COCCN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC001321422719 1074478457 /nfs/dbraw/zinc/47/84/57/1074478457.db2.gz ISGSKPHXYPBNDL-OAHLLOKOSA-N 1 0 384.477 -1.223 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C1 ZINC001321423514 1074478473 /nfs/dbraw/zinc/47/84/73/1074478473.db2.gz ZAGVXNKIPDJLCG-CYBMUJFWSA-N 1 0 392.522 -1.097 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C1 ZINC001321423515 1074478341 /nfs/dbraw/zinc/47/83/41/1074478341.db2.gz ZAGVXNKIPDJLCG-ZDUSSCGKSA-N 1 0 392.522 -1.097 20 0 GAADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCS(C)(=O)=O)cn2)CC1 ZINC001321466520 1074479575 /nfs/dbraw/zinc/47/95/75/1074479575.db2.gz VWIQOAGSNIPXRN-UHFFFAOYSA-N 1 0 383.474 -1.390 20 0 GAADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001321466613 1074479367 /nfs/dbraw/zinc/47/93/67/1074479367.db2.gz ZOZSRQGTAIVEQN-UHFFFAOYSA-N 1 0 399.473 -1.047 20 0 GAADRO CS(=O)(=O)NCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001321467172 1074479489 /nfs/dbraw/zinc/47/94/89/1074479489.db2.gz QHVRYGYAZPHOHJ-UHFFFAOYSA-N 1 0 383.474 -1.172 20 0 GAADRO O=C(NCCCn1cccn1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001321470952 1074479513 /nfs/dbraw/zinc/47/95/13/1074479513.db2.gz LPUNTNOWALLQDA-INIZCTEOSA-N 1 0 378.477 -1.088 20 0 GAADRO O=C(NCCCn1cccn1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001321470953 1074479554 /nfs/dbraw/zinc/47/95/54/1074479554.db2.gz LPUNTNOWALLQDA-MRXNPFEDSA-N 1 0 378.477 -1.088 20 0 GAADRO CN(CCNS(C)(=O)=O)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001321473214 1074479445 /nfs/dbraw/zinc/47/94/45/1074479445.db2.gz YKYWEGXUWVBBHR-AWEZNQCLSA-N 1 0 390.506 -1.246 20 0 GAADRO CN(CCNS(C)(=O)=O)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001321473216 1074479539 /nfs/dbraw/zinc/47/95/39/1074479539.db2.gz YKYWEGXUWVBBHR-CQSZACIVSA-N 1 0 390.506 -1.246 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC001321473426 1074479877 /nfs/dbraw/zinc/47/98/77/1074479877.db2.gz ZUICSAYZGANUHF-CABCVRRESA-N 1 0 382.461 -1.281 20 0 GAADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC001321473445 1074479886 /nfs/dbraw/zinc/47/98/86/1074479886.db2.gz ZUICSAYZGANUHF-GJZGRUSLSA-N 1 0 382.461 -1.281 20 0 GAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC001321473446 1074479929 /nfs/dbraw/zinc/47/99/29/1074479929.db2.gz ZUICSAYZGANUHF-HUUCEWRRSA-N 1 0 382.461 -1.281 20 0 GAADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC001321473447 1074479948 /nfs/dbraw/zinc/47/99/48/1074479948.db2.gz ZUICSAYZGANUHF-LSDHHAIUSA-N 1 0 382.461 -1.281 20 0 GAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001321476981 1074480043 /nfs/dbraw/zinc/48/00/43/1074480043.db2.gz FPCDZGDXZBRQTE-KRWDZBQOSA-N 1 0 399.536 -1.720 20 0 GAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001321476982 1074479956 /nfs/dbraw/zinc/47/99/56/1074479956.db2.gz FPCDZGDXZBRQTE-QGZVFWFLSA-N 1 0 399.536 -1.720 20 0 GAADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001321477519 1074480006 /nfs/dbraw/zinc/48/00/06/1074480006.db2.gz OCFQTVSCYWWPNO-UHFFFAOYSA-N 1 0 383.493 -1.554 20 0 GAADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)O1 ZINC001321478177 1074479829 /nfs/dbraw/zinc/47/98/29/1074479829.db2.gz VDYJUEWARXVZHH-CVEARBPZSA-N 1 0 397.520 -1.119 20 0 GAADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)O1 ZINC001321478179 1074479937 /nfs/dbraw/zinc/47/99/37/1074479937.db2.gz VDYJUEWARXVZHH-HOTGVXAUSA-N 1 0 397.520 -1.119 20 0 GAADRO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)O1 ZINC001321478181 1074479980 /nfs/dbraw/zinc/47/99/80/1074479980.db2.gz VDYJUEWARXVZHH-HZPDHXFCSA-N 1 0 397.520 -1.119 20 0 GAADRO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)O1 ZINC001321478182 1074479970 /nfs/dbraw/zinc/47/99/70/1074479970.db2.gz VDYJUEWARXVZHH-JKSUJKDBSA-N 1 0 397.520 -1.119 20 0 GAADRO C[C@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC001321479258 1074480506 /nfs/dbraw/zinc/48/05/06/1074480506.db2.gz CNIOGZGHWUSETF-CYBMUJFWSA-N 1 0 397.501 -1.001 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC001321479259 1074480572 /nfs/dbraw/zinc/48/05/72/1074480572.db2.gz CNIOGZGHWUSETF-ZDUSSCGKSA-N 1 0 397.501 -1.001 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001321479822 1074480481 /nfs/dbraw/zinc/48/04/81/1074480481.db2.gz ILJSSVJZLOAMQA-UHFFFAOYSA-N 1 0 398.489 -1.885 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC001321485960 1074480611 /nfs/dbraw/zinc/48/06/11/1074480611.db2.gz QIEGVZBTCUTNRH-CABCVRRESA-N 1 0 380.493 -1.389 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)N1CC[NH+](C)CC1 ZINC001321485961 1074480630 /nfs/dbraw/zinc/48/06/30/1074480630.db2.gz QIEGVZBTCUTNRH-GJZGRUSLSA-N 1 0 380.493 -1.389 20 0 GAADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC001321485962 1074480449 /nfs/dbraw/zinc/48/04/49/1074480449.db2.gz QIEGVZBTCUTNRH-HUUCEWRRSA-N 1 0 380.493 -1.389 20 0 GAADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)N1CC[NH+](C)CC1 ZINC001321485963 1074480489 /nfs/dbraw/zinc/48/04/89/1074480489.db2.gz QIEGVZBTCUTNRH-LSDHHAIUSA-N 1 0 380.493 -1.389 20 0 GAADRO CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001321508708 1074481678 /nfs/dbraw/zinc/48/16/78/1074481678.db2.gz JGDAFXXCIOUAPE-INIZCTEOSA-N 1 0 378.477 -1.099 20 0 GAADRO CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001321508709 1074481637 /nfs/dbraw/zinc/48/16/37/1074481637.db2.gz JGDAFXXCIOUAPE-MRXNPFEDSA-N 1 0 378.477 -1.099 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCCNS(C)(=O)=O)CC1 ZINC001321514680 1074482353 /nfs/dbraw/zinc/48/23/53/1074482353.db2.gz LNWIWIPDDHCPSI-UHFFFAOYSA-N 1 0 377.511 -1.814 20 0 GAADRO CCNS(=O)(=O)CCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001321523428 1074482261 /nfs/dbraw/zinc/48/22/61/1074482261.db2.gz CLTGTMGAOGOLHR-UHFFFAOYSA-N 1 0 377.511 -1.814 20 0 GAADRO CCN1C(=O)[C@@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CCN2C1=O ZINC001321523651 1074482310 /nfs/dbraw/zinc/48/23/10/1074482310.db2.gz CVMLBKVUESOHPU-AWEZNQCLSA-N 1 0 395.460 -1.290 20 0 GAADRO CCN1C(=O)[C@H]2CN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CCN2C1=O ZINC001321523652 1074482209 /nfs/dbraw/zinc/48/22/09/1074482209.db2.gz CVMLBKVUESOHPU-CQSZACIVSA-N 1 0 395.460 -1.290 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001321526175 1074482169 /nfs/dbraw/zinc/48/21/69/1074482169.db2.gz SLLDRACCSBBNGT-HNNXBMFYSA-N 1 0 383.493 -1.506 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001321526176 1074482232 /nfs/dbraw/zinc/48/22/32/1074482232.db2.gz SLLDRACCSBBNGT-OAHLLOKOSA-N 1 0 383.493 -1.506 20 0 GAADRO CCNS(=O)(=O)CCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001321529306 1074482682 /nfs/dbraw/zinc/48/26/82/1074482682.db2.gz DDQRIKRDNAXGTD-UHFFFAOYSA-N 1 0 377.511 -1.816 20 0 GAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC001321529321 1074482708 /nfs/dbraw/zinc/48/27/08/1074482708.db2.gz DOJJHACIOGJHRX-UHFFFAOYSA-N 1 0 382.465 -1.813 20 0 GAADRO CN(CCNS(C)(=O)=O)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC001321529352 1074482726 /nfs/dbraw/zinc/48/27/26/1074482726.db2.gz FGVMSKUONJNIMI-UHFFFAOYSA-N 1 0 377.511 -1.864 20 0 GAADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC001321530428 1074482656 /nfs/dbraw/zinc/48/26/56/1074482656.db2.gz RUBJEBUYHJQLIN-UHFFFAOYSA-N 1 0 391.428 -1.089 20 0 GAADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001321530645 1074482649 /nfs/dbraw/zinc/48/26/49/1074482649.db2.gz UPKFHGCJWIXFRR-KBPBESRZSA-N 1 0 388.490 -1.365 20 0 GAADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001321530646 1074482678 /nfs/dbraw/zinc/48/26/78/1074482678.db2.gz UPKFHGCJWIXFRR-KGLIPLIRSA-N 1 0 388.490 -1.365 20 0 GAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001321530647 1074483432 /nfs/dbraw/zinc/48/34/32/1074483432.db2.gz UPKFHGCJWIXFRR-UONOGXRCSA-N 1 0 388.490 -1.365 20 0 GAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001321530648 1074483406 /nfs/dbraw/zinc/48/34/06/1074483406.db2.gz UPKFHGCJWIXFRR-ZIAGYGMSSA-N 1 0 388.490 -1.365 20 0 GAADRO O=C(CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCOCC1 ZINC001321531231 1074483403 /nfs/dbraw/zinc/48/34/03/1074483403.db2.gz YXJCJGARJSEIKH-HNNXBMFYSA-N 1 0 382.461 -1.279 20 0 GAADRO O=C(CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCOCC1 ZINC001321531232 1074483220 /nfs/dbraw/zinc/48/32/20/1074483220.db2.gz YXJCJGARJSEIKH-OAHLLOKOSA-N 1 0 382.461 -1.279 20 0 GAADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001321572533 1074485043 /nfs/dbraw/zinc/48/50/43/1074485043.db2.gz OXRAXENRQVZHKR-HNNXBMFYSA-N 1 0 397.520 -1.118 20 0 GAADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001321572535 1074485422 /nfs/dbraw/zinc/48/54/22/1074485422.db2.gz OXRAXENRQVZHKR-OAHLLOKOSA-N 1 0 397.520 -1.118 20 0 GAADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1C(=O)CNC1=O)Cc1ccccc1 ZINC001321579167 1074486009 /nfs/dbraw/zinc/48/60/09/1074486009.db2.gz RVLPWLIHVLFKCG-AWEZNQCLSA-N 1 0 375.429 -1.057 20 0 GAADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1C(=O)CNC1=O)Cc1ccccc1 ZINC001321579168 1074485989 /nfs/dbraw/zinc/48/59/89/1074485989.db2.gz RVLPWLIHVLFKCG-CQSZACIVSA-N 1 0 375.429 -1.057 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001321579794 1074486040 /nfs/dbraw/zinc/48/60/40/1074486040.db2.gz CXCBNWIHGLLUTF-UHFFFAOYSA-N 1 0 391.476 -1.253 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001321580616 1074486097 /nfs/dbraw/zinc/48/60/97/1074486097.db2.gz PEPUMDMEYPMWQV-UHFFFAOYSA-N 1 0 389.522 -1.074 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001321584413 1074486030 /nfs/dbraw/zinc/48/60/30/1074486030.db2.gz JXKHKENCTVMZDJ-UHFFFAOYSA-N 1 0 383.493 -1.553 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)C1 ZINC001321594036 1074486055 /nfs/dbraw/zinc/48/60/55/1074486055.db2.gz SSMHENHRCBSZGM-CYBMUJFWSA-N 1 0 378.495 -1.533 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)C1 ZINC001321594037 1074486066 /nfs/dbraw/zinc/48/60/66/1074486066.db2.gz SSMHENHRCBSZGM-ZDUSSCGKSA-N 1 0 378.495 -1.533 20 0 GAADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NC[C@H](O)CO)cc2)CC1 ZINC001321622327 1074487135 /nfs/dbraw/zinc/48/71/35/1074487135.db2.gz CNTKSIQAEJXMTP-HNNXBMFYSA-N 1 0 380.445 -1.279 20 0 GAADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc2)CC1 ZINC001321622328 1074487166 /nfs/dbraw/zinc/48/71/66/1074487166.db2.gz CNTKSIQAEJXMTP-OAHLLOKOSA-N 1 0 380.445 -1.279 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC001321631586 1074487616 /nfs/dbraw/zinc/48/76/16/1074487616.db2.gz DYIFLNPXJHDTQU-UHFFFAOYSA-N 1 0 393.488 -1.075 20 0 GAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1nnc2n1CCC2 ZINC001321632864 1074488118 /nfs/dbraw/zinc/48/81/18/1074488118.db2.gz TZPFMQLFKBAMSW-CYBMUJFWSA-N 1 0 391.476 -1.101 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1nnc2n1CCC2 ZINC001321632865 1074488257 /nfs/dbraw/zinc/48/82/57/1074488257.db2.gz TZPFMQLFKBAMSW-ZDUSSCGKSA-N 1 0 391.476 -1.101 20 0 GAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001321633269 1074488182 /nfs/dbraw/zinc/48/81/82/1074488182.db2.gz AIHBFCOPXFPVPE-UHFFFAOYSA-N 1 0 378.495 -1.437 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC001321641849 1074488661 /nfs/dbraw/zinc/48/86/61/1074488661.db2.gz HIPVWUXOLKCSOC-UHFFFAOYSA-N 1 0 399.473 -1.408 20 0 GAADRO CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001321657302 1074490009 /nfs/dbraw/zinc/49/00/09/1074490009.db2.gz BXYIFKZJFHJZFG-HNNXBMFYSA-N 1 0 393.488 -1.216 20 0 GAADRO CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001321657303 1074489711 /nfs/dbraw/zinc/48/97/11/1074489711.db2.gz BXYIFKZJFHJZFG-OAHLLOKOSA-N 1 0 393.488 -1.216 20 0 GAADRO COCC[N@H+](C)CCCNC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001321658921 1074489983 /nfs/dbraw/zinc/48/99/83/1074489983.db2.gz XBFLTRCYEIUCKU-UHFFFAOYSA-N 1 0 378.495 -1.389 20 0 GAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001321659150 1074489959 /nfs/dbraw/zinc/48/99/59/1074489959.db2.gz QZWKCAFSPBTTON-UHFFFAOYSA-N 1 0 392.522 -1.047 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC001321662676 1074490474 /nfs/dbraw/zinc/49/04/74/1074490474.db2.gz KYUWVVTWXFPHBY-DLBZAZTESA-N 1 0 399.536 -1.862 20 0 GAADRO C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC001321662680 1074490521 /nfs/dbraw/zinc/49/05/21/1074490521.db2.gz KYUWVVTWXFPHBY-IAGOWNOFSA-N 1 0 399.536 -1.862 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC001321662681 1074490408 /nfs/dbraw/zinc/49/04/08/1074490408.db2.gz KYUWVVTWXFPHBY-IRXDYDNUSA-N 1 0 399.536 -1.862 20 0 GAADRO C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC001321662682 1074490235 /nfs/dbraw/zinc/49/02/35/1074490235.db2.gz KYUWVVTWXFPHBY-SJORKVTESA-N 1 0 399.536 -1.862 20 0 GAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001321663452 1074490395 /nfs/dbraw/zinc/49/03/95/1074490395.db2.gz MYVPTYGIVLCNJU-ILXRZTDVSA-N 1 0 383.493 -1.475 20 0 GAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001321663453 1074490503 /nfs/dbraw/zinc/49/05/03/1074490503.db2.gz MYVPTYGIVLCNJU-KFWWJZLASA-N 1 0 383.493 -1.475 20 0 GAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC001321663454 1074490545 /nfs/dbraw/zinc/49/05/45/1074490545.db2.gz MYVPTYGIVLCNJU-QLFBSQMISA-N 1 0 383.493 -1.475 20 0 GAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC001321663455 1074490370 /nfs/dbraw/zinc/49/03/70/1074490370.db2.gz MYVPTYGIVLCNJU-RBSFLKMASA-N 1 0 383.493 -1.475 20 0 GAADRO CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001321663539 1074490618 /nfs/dbraw/zinc/49/06/18/1074490618.db2.gz ODUJHVZFAPGHOX-KBPBESRZSA-N 1 0 376.523 -1.075 20 0 GAADRO CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001321663541 1074490579 /nfs/dbraw/zinc/49/05/79/1074490579.db2.gz ODUJHVZFAPGHOX-KGLIPLIRSA-N 1 0 376.523 -1.075 20 0 GAADRO CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001321663543 1074490348 /nfs/dbraw/zinc/49/03/48/1074490348.db2.gz ODUJHVZFAPGHOX-UONOGXRCSA-N 1 0 376.523 -1.075 20 0 GAADRO CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001321663545 1074490595 /nfs/dbraw/zinc/49/05/95/1074490595.db2.gz ODUJHVZFAPGHOX-ZIAGYGMSSA-N 1 0 376.523 -1.075 20 0 GAADRO CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001321663972 1074490432 /nfs/dbraw/zinc/49/04/32/1074490432.db2.gz PIVNZVGAWCUEKX-CABCVRRESA-N 1 0 382.509 -1.094 20 0 GAADRO CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001321663973 1074490312 /nfs/dbraw/zinc/49/03/12/1074490312.db2.gz PIVNZVGAWCUEKX-GJZGRUSLSA-N 1 0 382.509 -1.094 20 0 GAADRO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001321663974 1074490277 /nfs/dbraw/zinc/49/02/77/1074490277.db2.gz PIVNZVGAWCUEKX-HUUCEWRRSA-N 1 0 382.509 -1.094 20 0 GAADRO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001321663975 1074490453 /nfs/dbraw/zinc/49/04/53/1074490453.db2.gz PIVNZVGAWCUEKX-LSDHHAIUSA-N 1 0 382.509 -1.094 20 0 GAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC001321664414 1074490559 /nfs/dbraw/zinc/49/05/59/1074490559.db2.gz RYIPSIBGEQNKMK-KBPBESRZSA-N 1 0 389.522 -1.734 20 0 GAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC001321664415 1074491137 /nfs/dbraw/zinc/49/11/37/1074491137.db2.gz RYIPSIBGEQNKMK-KGLIPLIRSA-N 1 0 389.522 -1.734 20 0 GAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC001321664416 1074491120 /nfs/dbraw/zinc/49/11/20/1074491120.db2.gz RYIPSIBGEQNKMK-UONOGXRCSA-N 1 0 389.522 -1.734 20 0 GAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC001321664417 1074491092 /nfs/dbraw/zinc/49/10/92/1074491092.db2.gz RYIPSIBGEQNKMK-ZIAGYGMSSA-N 1 0 389.522 -1.734 20 0 GAADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)ncn1 ZINC001321667910 1074491042 /nfs/dbraw/zinc/49/10/42/1074491042.db2.gz OCTNYSDLFUVSJT-CYBMUJFWSA-N 1 0 378.433 -1.054 20 0 GAADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ncn1 ZINC001321667911 1074491081 /nfs/dbraw/zinc/49/10/81/1074491081.db2.gz OCTNYSDLFUVSJT-ZDUSSCGKSA-N 1 0 378.433 -1.054 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001321701877 1074493282 /nfs/dbraw/zinc/49/32/82/1074493282.db2.gz AVJVYCGUVLPYRK-CYBMUJFWSA-N 1 0 376.479 -1.589 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001321701878 1074493426 /nfs/dbraw/zinc/49/34/26/1074493426.db2.gz AVJVYCGUVLPYRK-ZDUSSCGKSA-N 1 0 376.479 -1.589 20 0 GAADRO O=C(NCCN1C(=O)CNC1=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001321702278 1074493339 /nfs/dbraw/zinc/49/33/39/1074493339.db2.gz GBQIARNPKFMZQQ-CYBMUJFWSA-N 1 0 381.433 -1.586 20 0 GAADRO O=C(NCCN1C(=O)CNC1=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001321702279 1074493729 /nfs/dbraw/zinc/49/37/29/1074493729.db2.gz GBQIARNPKFMZQQ-ZDUSSCGKSA-N 1 0 381.433 -1.586 20 0 GAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC001321702841 1074493694 /nfs/dbraw/zinc/49/36/94/1074493694.db2.gz LBJQNMHZYCIOCM-UHFFFAOYSA-N 1 0 381.477 -1.216 20 0 GAADRO C[C@H](CNC(=O)C(=O)NCc1nnnn1CC1CC1)C[NH+]1CCN(C)CC1 ZINC001321712178 1074493769 /nfs/dbraw/zinc/49/37/69/1074493769.db2.gz KXZPSKAQJGBCQU-CYBMUJFWSA-N 1 0 378.481 -1.301 20 0 GAADRO C[C@@H](CNC(=O)C(=O)NCc1nnnn1CC1CC1)C[NH+]1CCN(C)CC1 ZINC001321712186 1074494469 /nfs/dbraw/zinc/49/44/69/1074494469.db2.gz KXZPSKAQJGBCQU-ZDUSSCGKSA-N 1 0 378.481 -1.301 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C[NH+]1CCN(C)CC1 ZINC001321714785 1074494400 /nfs/dbraw/zinc/49/44/00/1074494400.db2.gz VIJCRMPFPWVISA-CABCVRRESA-N 1 0 382.509 -1.107 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C[NH+]1CCN(C)CC1 ZINC001321714786 1074494388 /nfs/dbraw/zinc/49/43/88/1074494388.db2.gz VIJCRMPFPWVISA-GJZGRUSLSA-N 1 0 382.509 -1.107 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)C[NH+]1CCN(C)CC1 ZINC001321714787 1074494502 /nfs/dbraw/zinc/49/45/02/1074494502.db2.gz 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20 0 GAADRO O=C(CCCNC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC1 ZINC001321722789 1074494850 /nfs/dbraw/zinc/49/48/50/1074494850.db2.gz LHXFARNMBKDGIJ-INIZCTEOSA-N 1 0 395.504 -1.316 20 0 GAADRO O=C(CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC1 ZINC001321722790 1074494881 /nfs/dbraw/zinc/49/48/81/1074494881.db2.gz LHXFARNMBKDGIJ-MRXNPFEDSA-N 1 0 395.504 -1.316 20 0 GAADRO CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001321723236 1074495093 /nfs/dbraw/zinc/49/50/93/1074495093.db2.gz YAEUADHGPGYWMD-UHFFFAOYSA-N 1 0 388.490 -1.696 20 0 GAADRO CS(=O)(=O)NCCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001321730770 1074495558 /nfs/dbraw/zinc/49/55/58/1074495558.db2.gz OHTXFBUBATYJTC-UHFFFAOYSA-N 1 0 383.474 -1.172 20 0 GAADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCCS(C)(=O)=O)c1 ZINC001321746937 1074496386 /nfs/dbraw/zinc/49/63/86/1074496386.db2.gz XBBMXDJDMFVMIC-UHFFFAOYSA-N 1 0 398.485 -1.245 20 0 GAADRO Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)CC2 ZINC001321750216 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ZINC001322923898 1074559920 /nfs/dbraw/zinc/55/99/20/1074559920.db2.gz NDIQWBBWLZUKNF-SFHVURJKSA-N 1 0 394.428 -1.043 20 0 GAADRO CCC[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NC)CCN1CCOC ZINC001322927119 1074560390 /nfs/dbraw/zinc/56/03/90/1074560390.db2.gz PJIBYADISAMERE-CYBMUJFWSA-N 1 0 378.495 -1.389 20 0 GAADRO CCC[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NC)CCN1CCOC ZINC001322927120 1074560415 /nfs/dbraw/zinc/56/04/15/1074560415.db2.gz PJIBYADISAMERE-ZDUSSCGKSA-N 1 0 378.495 -1.389 20 0 GAADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)NC)C1 ZINC001322935893 1074560764 /nfs/dbraw/zinc/56/07/64/1074560764.db2.gz XJGJSFJOQFRAJQ-CYBMUJFWSA-N 1 0 378.495 -1.389 20 0 GAADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)NC)C1 ZINC001322935897 1074560734 /nfs/dbraw/zinc/56/07/34/1074560734.db2.gz XJGJSFJOQFRAJQ-ZDUSSCGKSA-N 1 0 378.495 -1.389 20 0 GAADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC001322940811 1074561076 /nfs/dbraw/zinc/56/10/76/1074561076.db2.gz BITALDFZJBCDHZ-UHFFFAOYSA-N 1 0 392.522 -1.264 20 0 GAADRO CCN(CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)S(C)(=O)=O ZINC001322943442 1074561545 /nfs/dbraw/zinc/56/15/45/1074561545.db2.gz UBSZJRGJTSVDKK-CYBMUJFWSA-N 1 0 377.511 -1.864 20 0 GAADRO CCN(CCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)S(C)(=O)=O ZINC001322943444 1074561505 /nfs/dbraw/zinc/56/15/05/1074561505.db2.gz UBSZJRGJTSVDKK-ZDUSSCGKSA-N 1 0 377.511 -1.864 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC001322962369 1074562405 /nfs/dbraw/zinc/56/24/05/1074562405.db2.gz NSODGTCDPTUCDH-HNNXBMFYSA-N 1 0 394.497 -1.005 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC001322962372 1074562492 /nfs/dbraw/zinc/56/24/92/1074562492.db2.gz NSODGTCDPTUCDH-OAHLLOKOSA-N 1 0 394.497 -1.005 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001322963072 1074562517 /nfs/dbraw/zinc/56/25/17/1074562517.db2.gz SWQKJVUTXXUGEZ-AWEZNQCLSA-N 1 0 396.492 -2.456 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001322963073 1074562364 /nfs/dbraw/zinc/56/23/64/1074562364.db2.gz SWQKJVUTXXUGEZ-CQSZACIVSA-N 1 0 396.492 -2.456 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001322964857 1074562357 /nfs/dbraw/zinc/56/23/57/1074562357.db2.gz GYHJCIGJSGXFFJ-CYBMUJFWSA-N 1 0 390.506 -1.341 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001322964871 1074562333 /nfs/dbraw/zinc/56/23/33/1074562333.db2.gz GYHJCIGJSGXFFJ-ZDUSSCGKSA-N 1 0 390.506 -1.341 20 0 GAADRO C[NH+](C)C1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CCC1 ZINC001322967399 1074562541 /nfs/dbraw/zinc/56/25/41/1074562541.db2.gz RTOHHHQPFWDPEB-UHFFFAOYSA-N 1 0 376.479 -1.635 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001322976366 1074563241 /nfs/dbraw/zinc/56/32/41/1074563241.db2.gz OIKMVJNPTVVRGD-GHMZBOCLSA-N 1 0 379.383 -1.372 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001322976367 1074563286 /nfs/dbraw/zinc/56/32/86/1074563286.db2.gz OIKMVJNPTVVRGD-MNOVXSKESA-N 1 0 379.383 -1.372 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001322976368 1074563385 /nfs/dbraw/zinc/56/33/85/1074563385.db2.gz OIKMVJNPTVVRGD-QWRGUYRKSA-N 1 0 379.383 -1.372 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001322976369 1074563336 /nfs/dbraw/zinc/56/33/36/1074563336.db2.gz OIKMVJNPTVVRGD-WDEREUQCSA-N 1 0 379.383 -1.372 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC001322978333 1074563255 /nfs/dbraw/zinc/56/32/55/1074563255.db2.gz XZFUZAVWOBCPLL-KBPBESRZSA-N 1 0 386.518 -1.036 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC001322978335 1074563330 /nfs/dbraw/zinc/56/33/30/1074563330.db2.gz XZFUZAVWOBCPLL-KGLIPLIRSA-N 1 0 386.518 -1.036 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC001322978337 1074563746 /nfs/dbraw/zinc/56/37/46/1074563746.db2.gz XZFUZAVWOBCPLL-UONOGXRCSA-N 1 0 386.518 -1.036 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC001322978340 1074563883 /nfs/dbraw/zinc/56/38/83/1074563883.db2.gz XZFUZAVWOBCPLL-ZIAGYGMSSA-N 1 0 386.518 -1.036 20 0 GAADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1=O ZINC001322982350 1074563813 /nfs/dbraw/zinc/56/38/13/1074563813.db2.gz ISTILQJSYKXMSX-KRWDZBQOSA-N 1 0 382.417 -1.221 20 0 GAADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1=O ZINC001322982351 1074563877 /nfs/dbraw/zinc/56/38/77/1074563877.db2.gz ISTILQJSYKXMSX-QGZVFWFLSA-N 1 0 382.417 -1.221 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001322987624 1074563805 /nfs/dbraw/zinc/56/38/05/1074563805.db2.gz FRLNWJWGOCYCBN-UHFFFAOYSA-N 1 0 398.489 -1.885 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](S(C)(=O)=O)C3)C2)CC1 ZINC001322993515 1074564211 /nfs/dbraw/zinc/56/42/11/1074564211.db2.gz MPZHZRQSWFCJCY-DZGCQCFKSA-N 1 0 386.518 -1.083 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC001322993516 1074564236 /nfs/dbraw/zinc/56/42/36/1074564236.db2.gz MPZHZRQSWFCJCY-HIFRSBDPSA-N 1 0 386.518 -1.083 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](S(C)(=O)=O)C3)C2)CC1 ZINC001322993518 1074564228 /nfs/dbraw/zinc/56/42/28/1074564228.db2.gz MPZHZRQSWFCJCY-UKRRQHHQSA-N 1 0 386.518 -1.083 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC001322993522 1074564233 /nfs/dbraw/zinc/56/42/33/1074564233.db2.gz MPZHZRQSWFCJCY-ZFWWWQNUSA-N 1 0 386.518 -1.083 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(OCC(N)=O)CC3)C2)CC1 ZINC001322994435 1074564255 /nfs/dbraw/zinc/56/42/55/1074564255.db2.gz RVCGVAXPQCZVQF-AWEZNQCLSA-N 1 0 395.504 -1.236 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(OCC(N)=O)CC3)C2)CC1 ZINC001322994436 1074564184 /nfs/dbraw/zinc/56/41/84/1074564184.db2.gz RVCGVAXPQCZVQF-CQSZACIVSA-N 1 0 395.504 -1.236 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC001323000308 1074564838 /nfs/dbraw/zinc/56/48/38/1074564838.db2.gz VFCFOTZIRHYCFS-AWEZNQCLSA-N 1 0 390.492 -1.016 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC001323000337 1074564785 /nfs/dbraw/zinc/56/47/85/1074564785.db2.gz VFCFOTZIRHYCFS-CQSZACIVSA-N 1 0 390.492 -1.016 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)N1CC[NH+](C)CC1 ZINC001323002275 1074564673 /nfs/dbraw/zinc/56/46/73/1074564673.db2.gz NSECKVUKNQIBCN-ILXRZTDVSA-N 1 0 383.493 -1.476 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)N1CC[NH+](C)CC1 ZINC001323002276 1074564815 /nfs/dbraw/zinc/56/48/15/1074564815.db2.gz NSECKVUKNQIBCN-KKUMJFAQSA-N 1 0 383.493 -1.476 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)N1CC[NH+](C)CC1 ZINC001323002277 1074564769 /nfs/dbraw/zinc/56/47/69/1074564769.db2.gz NSECKVUKNQIBCN-QLFBSQMISA-N 1 0 383.493 -1.476 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)N1CC[NH+](C)CC1 ZINC001323002278 1074564695 /nfs/dbraw/zinc/56/46/95/1074564695.db2.gz NSECKVUKNQIBCN-SOUVJXGZSA-N 1 0 383.493 -1.476 20 0 GAADRO CC(C)C(=O)NCCNC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001323011027 1074565496 /nfs/dbraw/zinc/56/54/96/1074565496.db2.gz JUECWWCQKRQTAJ-HNNXBMFYSA-N 1 0 383.493 -1.603 20 0 GAADRO CC(C)C(=O)NCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001323011028 1074565464 /nfs/dbraw/zinc/56/54/64/1074565464.db2.gz JUECWWCQKRQTAJ-OAHLLOKOSA-N 1 0 383.493 -1.603 20 0 GAADRO O=C(CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOCC1 ZINC001323025325 1074566403 /nfs/dbraw/zinc/56/64/03/1074566403.db2.gz BHVMCIKMDDXQMM-AWEZNQCLSA-N 1 0 382.461 -1.422 20 0 GAADRO O=C(CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCOCC1 ZINC001323025326 1074566463 /nfs/dbraw/zinc/56/64/63/1074566463.db2.gz BHVMCIKMDDXQMM-CQSZACIVSA-N 1 0 382.461 -1.422 20 0 GAADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC1 ZINC001323026564 1074566432 /nfs/dbraw/zinc/56/64/32/1074566432.db2.gz LJJFDLVUCLRWPU-UHFFFAOYSA-N 1 0 393.488 -1.120 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC001323055232 1074567351 /nfs/dbraw/zinc/56/73/51/1074567351.db2.gz LNTMSAFGJURWQE-GFCCVEGCSA-N 1 0 387.437 -1.226 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC001323055251 1074567298 /nfs/dbraw/zinc/56/72/98/1074567298.db2.gz LNTMSAFGJURWQE-LBPRGKRZSA-N 1 0 387.437 -1.226 20 0 GAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 ZINC001323060475 1074567958 /nfs/dbraw/zinc/56/79/58/1074567958.db2.gz BNXGHUFMTIODCK-GFCCVEGCSA-N 1 0 380.449 -1.221 20 0 GAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 ZINC001323060476 1074567892 /nfs/dbraw/zinc/56/78/92/1074567892.db2.gz BNXGHUFMTIODCK-LBPRGKRZSA-N 1 0 380.449 -1.221 20 0 GAADRO COCCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001323060587 1074567693 /nfs/dbraw/zinc/56/76/93/1074567693.db2.gz DFCGPTAPVXAJLA-DLBZAZTESA-N 1 0 398.504 -1.227 20 0 GAADRO COCCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001323060588 1074567610 /nfs/dbraw/zinc/56/76/10/1074567610.db2.gz DFCGPTAPVXAJLA-IAGOWNOFSA-N 1 0 398.504 -1.227 20 0 GAADRO COCCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001323060589 1074567909 /nfs/dbraw/zinc/56/79/09/1074567909.db2.gz DFCGPTAPVXAJLA-IRXDYDNUSA-N 1 0 398.504 -1.227 20 0 GAADRO COCCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001323060590 1074567795 /nfs/dbraw/zinc/56/77/95/1074567795.db2.gz DFCGPTAPVXAJLA-SJORKVTESA-N 1 0 398.504 -1.227 20 0 GAADRO CC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001323061697 1074567715 /nfs/dbraw/zinc/56/77/15/1074567715.db2.gz LQNQVLISIYUUDT-KRWDZBQOSA-N 1 0 395.504 -1.410 20 0 GAADRO CC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001323061701 1074567929 /nfs/dbraw/zinc/56/79/29/1074567929.db2.gz LQNQVLISIYUUDT-QGZVFWFLSA-N 1 0 395.504 -1.410 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC001323061905 1074567664 /nfs/dbraw/zinc/56/76/64/1074567664.db2.gz MKIBWIQPYHMBDZ-APWZRJJASA-N 1 0 396.488 -1.473 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC001323061906 1074567736 /nfs/dbraw/zinc/56/77/36/1074567736.db2.gz MKIBWIQPYHMBDZ-LPHOPBHVSA-N 1 0 396.488 -1.473 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC001323061907 1074567876 /nfs/dbraw/zinc/56/78/76/1074567876.db2.gz MKIBWIQPYHMBDZ-QFBILLFUSA-N 1 0 396.488 -1.473 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC001323061909 1074567980 /nfs/dbraw/zinc/56/79/80/1074567980.db2.gz MKIBWIQPYHMBDZ-VQIMIIECSA-N 1 0 396.488 -1.473 20 0 GAADRO COC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCO1 ZINC001323066045 1074568452 /nfs/dbraw/zinc/56/84/52/1074568452.db2.gz YLAGCBXCLGSWRX-IKGGRYGDSA-N 1 0 398.504 -1.181 20 0 GAADRO COC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCO1 ZINC001323066050 1074568521 /nfs/dbraw/zinc/56/85/21/1074568521.db2.gz YLAGCBXCLGSWRX-IXDOHACOSA-N 1 0 398.504 -1.181 20 0 GAADRO COC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCO1 ZINC001323066053 1074568542 /nfs/dbraw/zinc/56/85/42/1074568542.db2.gz YLAGCBXCLGSWRX-ULQDDVLXSA-N 1 0 398.504 -1.181 20 0 GAADRO COC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCO1 ZINC001323066057 1074568400 /nfs/dbraw/zinc/56/84/00/1074568400.db2.gz YLAGCBXCLGSWRX-YESZJQIVSA-N 1 0 398.504 -1.181 20 0 GAADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001323066151 1074568372 /nfs/dbraw/zinc/56/83/72/1074568372.db2.gz ZUOIWZRCXYXUGC-CABCVRRESA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001323066182 1074568312 /nfs/dbraw/zinc/56/83/12/1074568312.db2.gz ZUOIWZRCXYXUGC-GJZGRUSLSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001323066185 1074568333 /nfs/dbraw/zinc/56/83/33/1074568333.db2.gz ZUOIWZRCXYXUGC-HUUCEWRRSA-N 1 0 381.477 -1.802 20 0 GAADRO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001323066188 1074568493 /nfs/dbraw/zinc/56/84/93/1074568493.db2.gz ZUOIWZRCXYXUGC-LSDHHAIUSA-N 1 0 381.477 -1.802 20 0 GAADRO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001323074524 1074568899 /nfs/dbraw/zinc/56/88/99/1074568899.db2.gz QZVMNJVVQCGNNA-CYBMUJFWSA-N 1 0 378.495 -1.531 20 0 GAADRO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001323074525 1074568928 /nfs/dbraw/zinc/56/89/28/1074568928.db2.gz QZVMNJVVQCGNNA-ZDUSSCGKSA-N 1 0 378.495 -1.531 20 0 GAADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001323074679 1074569299 /nfs/dbraw/zinc/56/92/99/1074569299.db2.gz FQTFCTUUCHJGGG-INIZCTEOSA-N 1 0 384.477 -1.033 20 0 GAADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 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O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001326035774 1074716711 /nfs/dbraw/zinc/71/67/11/1074716711.db2.gz BBOIISIQHLGXKJ-GASCZTMLSA-N 1 0 379.461 -1.064 20 0 GAADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001326038299 1074716762 /nfs/dbraw/zinc/71/67/62/1074716762.db2.gz OBPHSKLLZVSXLL-HNNXBMFYSA-N 1 0 386.518 -1.034 20 0 GAADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001326038301 1074716916 /nfs/dbraw/zinc/71/69/16/1074716916.db2.gz OBPHSKLLZVSXLL-OAHLLOKOSA-N 1 0 386.518 -1.034 20 0 GAADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001326038893 1074716943 /nfs/dbraw/zinc/71/69/43/1074716943.db2.gz QJEIMCVEOHUTIR-CABCVRRESA-N 1 0 379.461 -1.207 20 0 GAADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001326038895 1074716970 /nfs/dbraw/zinc/71/69/70/1074716970.db2.gz QJEIMCVEOHUTIR-GJZGRUSLSA-N 1 0 379.461 -1.207 20 0 GAADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001326038897 1074716728 /nfs/dbraw/zinc/71/67/28/1074716728.db2.gz QJEIMCVEOHUTIR-HUUCEWRRSA-N 1 0 379.461 -1.207 20 0 GAADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001326038900 1074716868 /nfs/dbraw/zinc/71/68/68/1074716868.db2.gz QJEIMCVEOHUTIR-LSDHHAIUSA-N 1 0 379.461 -1.207 20 0 GAADRO O=C(C(=O)N1CCN(C(=O)N2CCCC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001326039711 1074716829 /nfs/dbraw/zinc/71/68/29/1074716829.db2.gz SXRBESHROPHKAF-INIZCTEOSA-N 1 0 392.504 -1.148 20 0 GAADRO O=C(C(=O)N1CCN(C(=O)N2CCCC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001326039714 1074716888 /nfs/dbraw/zinc/71/68/88/1074716888.db2.gz SXRBESHROPHKAF-MRXNPFEDSA-N 1 0 392.504 -1.148 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)N(C)C)C2)CC1 ZINC001326050319 1074716849 /nfs/dbraw/zinc/71/68/49/1074716849.db2.gz FDAJQQXIFGKDPT-HNNXBMFYSA-N 1 0 395.504 -1.064 20 0 GAADRO 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MUCAIRYTHOHYQK-KFWWJZLASA-N 1 0 382.461 -1.640 20 0 GAADRO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001326537292 1074738661 /nfs/dbraw/zinc/73/86/61/1074738661.db2.gz MUCAIRYTHOHYQK-RBSFLKMASA-N 1 0 382.461 -1.640 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC001326538259 1074738727 /nfs/dbraw/zinc/73/87/27/1074738727.db2.gz WATFXTIFTOODTA-SYMLIENRSA-N 1 0 382.486 -1.515 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC001326538264 1074738526 /nfs/dbraw/zinc/73/85/26/1074738526.db2.gz WATFXTIFTOODTA-AOTXYTFASA-N 1 0 382.486 -1.515 20 0 GAADRO CC(C)CC(=O)N1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC001326548569 1074739457 /nfs/dbraw/zinc/73/94/57/1074739457.db2.gz XWHSTWRPRPZHQU-UHFFFAOYSA-N 1 0 395.504 -1.064 20 0 GAADRO [NH3+]CC1(CCNC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC001326549163 1074739342 /nfs/dbraw/zinc/73/93/42/1074739342.db2.gz SSBOKRLPSGMRHP-CYBMUJFWSA-N 1 0 390.506 -1.164 20 0 GAADRO [NH3+]CC1(CCNC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC001326549164 1074739372 /nfs/dbraw/zinc/73/93/72/1074739372.db2.gz SSBOKRLPSGMRHP-ZDUSSCGKSA-N 1 0 390.506 -1.164 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CC1=O ZINC001326553494 1074739780 /nfs/dbraw/zinc/73/97/80/1074739780.db2.gz RTGRSNJETIIXOI-AWEZNQCLSA-N 1 0 393.488 -1.264 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CC1=O ZINC001326553498 1074739724 /nfs/dbraw/zinc/73/97/24/1074739724.db2.gz RTGRSNJETIIXOI-CQSZACIVSA-N 1 0 393.488 -1.264 20 0 GAADRO CS(=O)(=O)N[C@@H]1CCN(C[C@@H](O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC001326555877 1074739651 /nfs/dbraw/zinc/73/96/51/1074739651.db2.gz UQZNBJXJESUUMO-CLLJXQQHSA-N 1 0 384.524 -2.406 20 0 GAADRO CS(=O)(=O)N[C@H]1CCN(CC(O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC001326555878 1074739971 /nfs/dbraw/zinc/73/99/71/1074739971.db2.gz UQZNBJXJESUUMO-RYUDHWBXSA-N 1 0 384.524 -2.406 20 0 GAADRO CS(=O)(=O)N[C@@H]1CCN(CC(O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC001326555879 1074739954 /nfs/dbraw/zinc/73/99/54/1074739954.db2.gz UQZNBJXJESUUMO-VXGBXAGGSA-N 1 0 384.524 -2.406 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)C[C@H]2[NH3+])cn1 ZINC001326559621 1074740063 /nfs/dbraw/zinc/74/00/63/1074740063.db2.gz CMCZEZUGOAIGHR-FRRDWIJNSA-N 1 0 384.462 -2.177 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)C[C@H]2[NH3+])cn1 ZINC001326559640 1074740004 /nfs/dbraw/zinc/74/00/04/1074740004.db2.gz CMCZEZUGOAIGHR-RWMBFGLXSA-N 1 0 384.462 -2.177 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC001326559674 1074740073 /nfs/dbraw/zinc/74/00/73/1074740073.db2.gz CTBNGDJUNIYKOK-IHRRRGAJSA-N 1 0 398.460 -1.379 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC001326559678 1074740146 /nfs/dbraw/zinc/74/01/46/1074740146.db2.gz CTBNGDJUNIYKOK-MJBXVCDLSA-N 1 0 398.460 -1.379 20 0 GAADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)C2)C1 ZINC001326559953 1074740081 /nfs/dbraw/zinc/74/00/81/1074740081.db2.gz GMUFJBLWYBMPDM-KBXIAJHMSA-N 1 0 379.461 -1.033 20 0 GAADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)C1 ZINC001326559956 1074739943 /nfs/dbraw/zinc/73/99/43/1074739943.db2.gz GMUFJBLWYBMPDM-TUVASFSCSA-N 1 0 379.461 -1.033 20 0 GAADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)C2)C1 ZINC001326559959 1074740054 /nfs/dbraw/zinc/74/00/54/1074740054.db2.gz GMUFJBLWYBMPDM-XGUBFFRZSA-N 1 0 379.461 -1.033 20 0 GAADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)C1 ZINC001326559963 1074740012 /nfs/dbraw/zinc/74/00/12/1074740012.db2.gz GMUFJBLWYBMPDM-YJNKXOJESA-N 1 0 379.461 -1.033 20 0 GAADRO CCN1C[C@H](CNC(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1=O ZINC001326561272 1074740112 /nfs/dbraw/zinc/74/01/12/1074740112.db2.gz OANLTHJYPWFTFO-GXTWGEPZSA-N 1 0 377.449 -1.115 20 0 GAADRO CCN1C[C@H](CNC(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1=O ZINC001326561274 1074740154 /nfs/dbraw/zinc/74/01/54/1074740154.db2.gz OANLTHJYPWFTFO-JSGCOSHPSA-N 1 0 377.449 -1.115 20 0 GAADRO CCN1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1=O ZINC001326561275 1074740028 /nfs/dbraw/zinc/74/00/28/1074740028.db2.gz OANLTHJYPWFTFO-OCCSQVGLSA-N 1 0 377.449 -1.115 20 0 GAADRO CCN1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1=O ZINC001326561277 1074740095 /nfs/dbraw/zinc/74/00/95/1074740095.db2.gz OANLTHJYPWFTFO-TZMCWYRMSA-N 1 0 377.449 -1.115 20 0 GAADRO CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001326562163 1074740046 /nfs/dbraw/zinc/74/00/46/1074740046.db2.gz TVALRWZAGRGTFD-BFHYXJOUSA-N 1 0 390.506 -1.261 20 0 GAADRO CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001326562166 1074740089 /nfs/dbraw/zinc/74/00/89/1074740089.db2.gz TVALRWZAGRGTFD-IHRRRGAJSA-N 1 0 390.506 -1.261 20 0 GAADRO CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001326562168 1074740130 /nfs/dbraw/zinc/74/01/30/1074740130.db2.gz TVALRWZAGRGTFD-MELADBBJSA-N 1 0 390.506 -1.261 20 0 GAADRO CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001326562170 1074740019 /nfs/dbraw/zinc/74/00/19/1074740019.db2.gz TVALRWZAGRGTFD-MJBXVCDLSA-N 1 0 390.506 -1.261 20 0 GAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC001326562975 1074740358 /nfs/dbraw/zinc/74/03/58/1074740358.db2.gz TZRUXCPLARUSQQ-CYBMUJFWSA-N 1 0 384.433 -1.991 20 0 GAADRO COC(=O)C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC001326562998 1074740436 /nfs/dbraw/zinc/74/04/36/1074740436.db2.gz TZRUXCPLARUSQQ-ZDUSSCGKSA-N 1 0 384.433 -1.991 20 0 GAADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001326564768 1074740743 /nfs/dbraw/zinc/74/07/43/1074740743.db2.gz RLDKOWLVLDVTLW-AWEZNQCLSA-N 1 0 382.461 -1.327 20 0 GAADRO CN(C(=O)C(=O)NCC(=O)N1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326565148 1074740861 /nfs/dbraw/zinc/74/08/61/1074740861.db2.gz XWXCHOULUJYZKL-INIZCTEOSA-N 1 0 395.504 -1.412 20 0 GAADRO CN(C(=O)C(=O)NCC(=O)N1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326565150 1074740705 /nfs/dbraw/zinc/74/07/05/1074740705.db2.gz XWXCHOULUJYZKL-MRXNPFEDSA-N 1 0 395.504 -1.412 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001326571511 1074741175 /nfs/dbraw/zinc/74/11/75/1074741175.db2.gz AGGGKRZMHOXYIM-GFCCVEGCSA-N 1 0 389.478 -2.583 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001326571513 1074741326 /nfs/dbraw/zinc/74/13/26/1074741326.db2.gz AGGGKRZMHOXYIM-LBPRGKRZSA-N 1 0 389.478 -2.583 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001326573362 1074741733 /nfs/dbraw/zinc/74/17/33/1074741733.db2.gz NAVQXWXUEMQNLS-UHFFFAOYSA-N 1 0 377.511 -1.864 20 0 GAADRO CN(Cc1ccc(C(N)=O)cc1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001326575719 1074741546 /nfs/dbraw/zinc/74/15/46/1074741546.db2.gz DZZRQEWFWPHBAM-UHFFFAOYSA-N 1 0 389.456 -1.024 20 0 GAADRO CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001326576050 1074742065 /nfs/dbraw/zinc/74/20/65/1074742065.db2.gz HVYSNOGCMINVBL-AWEZNQCLSA-N 1 0 381.477 -1.266 20 0 GAADRO CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001326576052 1074742028 /nfs/dbraw/zinc/74/20/28/1074742028.db2.gz HVYSNOGCMINVBL-CQSZACIVSA-N 1 0 381.477 -1.266 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H]2COC)CC1 ZINC001326581014 1074742051 /nfs/dbraw/zinc/74/20/51/1074742051.db2.gz JEWFOSOMBLHCGQ-HUUCEWRRSA-N 1 0 384.477 -1.393 20 0 GAADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)cn1C ZINC001326583139 1074742454 /nfs/dbraw/zinc/74/24/54/1074742454.db2.gz DEYQLGOBRLKJIQ-UHFFFAOYSA-N 1 0 396.477 -1.184 20 0 GAADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001326583475 1074742368 /nfs/dbraw/zinc/74/23/68/1074742368.db2.gz AJOPISDTXDFIIB-HRCADAONSA-N 1 0 394.476 -2.175 20 0 GAADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001326583481 1074742523 /nfs/dbraw/zinc/74/25/23/1074742523.db2.gz AJOPISDTXDFIIB-OWCLPIDISA-N 1 0 394.476 -2.175 20 0 GAADRO [NH3+]CCCn1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nn1 ZINC001326583556 1074742411 /nfs/dbraw/zinc/74/24/11/1074742411.db2.gz JNYSTGPOSQHIKQ-CYBMUJFWSA-N 1 0 386.478 -1.107 20 0 GAADRO [NH3+]CCCn1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nn1 ZINC001326583557 1074742517 /nfs/dbraw/zinc/74/25/17/1074742517.db2.gz JNYSTGPOSQHIKQ-ZDUSSCGKSA-N 1 0 386.478 -1.107 20 0 GAADRO [NH3+]CCCOC1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001326584025 1074742482 /nfs/dbraw/zinc/74/24/82/1074742482.db2.gz RXBWYSIRRMKZPD-GFCCVEGCSA-N 1 0 376.479 -1.171 20 0 GAADRO [NH3+]CCCOC1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001326584026 1074742491 /nfs/dbraw/zinc/74/24/91/1074742491.db2.gz RXBWYSIRRMKZPD-LBPRGKRZSA-N 1 0 376.479 -1.171 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC001326584951 1074742821 /nfs/dbraw/zinc/74/28/21/1074742821.db2.gz GOXDKDBQZWKFNW-AWEZNQCLSA-N 1 0 377.445 -1.471 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC001326584952 1074742763 /nfs/dbraw/zinc/74/27/63/1074742763.db2.gz GOXDKDBQZWKFNW-CQSZACIVSA-N 1 0 377.445 -1.471 20 0 GAADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC001326586110 1074742755 /nfs/dbraw/zinc/74/27/55/1074742755.db2.gz RIJFQBDJLUVCFL-UHFFFAOYSA-N 1 0 392.522 -1.000 20 0 GAADRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001326592696 1074743080 /nfs/dbraw/zinc/74/30/80/1074743080.db2.gz ROBVAFSGWHISRW-CABCVRRESA-N 1 0 393.488 -1.075 20 0 GAADRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001326592697 1074743195 /nfs/dbraw/zinc/74/31/95/1074743195.db2.gz ROBVAFSGWHISRW-GJZGRUSLSA-N 1 0 393.488 -1.075 20 0 GAADRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001326592698 1074743019 /nfs/dbraw/zinc/74/30/19/1074743019.db2.gz ROBVAFSGWHISRW-HUUCEWRRSA-N 1 0 393.488 -1.075 20 0 GAADRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001326592699 1074743158 /nfs/dbraw/zinc/74/31/58/1074743158.db2.gz ROBVAFSGWHISRW-LSDHHAIUSA-N 1 0 393.488 -1.075 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC001326595807 1074743447 /nfs/dbraw/zinc/74/34/47/1074743447.db2.gz YZWULXVSSJPABV-SYMLIENRSA-N 1 0 384.502 -1.269 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC001326595808 1074743349 /nfs/dbraw/zinc/74/33/49/1074743349.db2.gz YZWULXVSSJPABV-AOTXYTFASA-N 1 0 384.502 -1.269 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC001326600992 1074743887 /nfs/dbraw/zinc/74/38/87/1074743887.db2.gz GMHCVFBYXFSISO-VXGBXAGGSA-N 1 0 378.495 -1.357 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC001326601296 1074743874 /nfs/dbraw/zinc/74/38/74/1074743874.db2.gz KKXKUEIDIHZZBR-CHWSQXEVSA-N 1 0 392.478 -2.413 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC001326603388 1074743879 /nfs/dbraw/zinc/74/38/79/1074743879.db2.gz ZUTJOKBAVCJHFY-JHJVBQTASA-N 1 0 376.479 -1.794 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC001326603390 1074743842 /nfs/dbraw/zinc/74/38/42/1074743842.db2.gz ZUTJOKBAVCJHFY-YNEHKIRRSA-N 1 0 376.479 -1.794 20 0 GAADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC3CC3)CC1)C2 ZINC001326607126 1074743867 /nfs/dbraw/zinc/74/38/67/1074743867.db2.gz CFTMNYTXRXPNSO-DJJJIMSYSA-N 1 0 391.472 -1.477 20 0 GAADRO Cn1cc(CNC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001326607508 1074743882 /nfs/dbraw/zinc/74/38/82/1074743882.db2.gz GEQLBUQQQXQYGD-GXTWGEPZSA-N 1 0 377.449 -1.462 20 0 GAADRO Cn1cc(CNC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001326607509 1074743822 /nfs/dbraw/zinc/74/38/22/1074743822.db2.gz GEQLBUQQQXQYGD-JSGCOSHPSA-N 1 0 377.449 -1.462 20 0 GAADRO Cn1cc(CNC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001326607510 1074743855 /nfs/dbraw/zinc/74/38/55/1074743855.db2.gz GEQLBUQQQXQYGD-OCCSQVGLSA-N 1 0 377.449 -1.462 20 0 GAADRO Cn1cc(CNC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC001326607511 1074743920 /nfs/dbraw/zinc/74/39/20/1074743920.db2.gz GEQLBUQQQXQYGD-TZMCWYRMSA-N 1 0 377.449 -1.462 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC001326607517 1074744074 /nfs/dbraw/zinc/74/40/74/1074744074.db2.gz GIACEHHWLIKTKX-CHWSQXEVSA-N 1 0 376.479 -1.698 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001326608502 1074744260 /nfs/dbraw/zinc/74/42/60/1074744260.db2.gz RIDUMBVNOMCDCX-KXBFYZLASA-N 1 0 395.504 -1.519 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC001326608532 1074744129 /nfs/dbraw/zinc/74/41/29/1074744129.db2.gz RYXXYQFONRAAAD-HUUCEWRRSA-N 1 0 397.476 -1.595 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326609361 1074744181 /nfs/dbraw/zinc/74/41/81/1074744181.db2.gz CKDILFOZASUOJY-CYBMUJFWSA-N 1 0 389.522 -1.673 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326609362 1074744139 /nfs/dbraw/zinc/74/41/39/1074744139.db2.gz CKDILFOZASUOJY-ZDUSSCGKSA-N 1 0 389.522 -1.673 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC001326610140 1074744211 /nfs/dbraw/zinc/74/42/11/1074744211.db2.gz OVUXTSWIHHECNX-AWEZNQCLSA-N 1 0 381.477 -1.754 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC001326610141 1074744271 /nfs/dbraw/zinc/74/42/71/1074744271.db2.gz OVUXTSWIHHECNX-CQSZACIVSA-N 1 0 381.477 -1.754 20 0 GAADRO C[C@@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC001326614456 1074744639 /nfs/dbraw/zinc/74/46/39/1074744639.db2.gz OHZCWBGVBONSPM-CYBMUJFWSA-N 1 0 383.474 -1.277 20 0 GAADRO C[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC001326614457 1074744620 /nfs/dbraw/zinc/74/46/20/1074744620.db2.gz OHZCWBGVBONSPM-ZDUSSCGKSA-N 1 0 383.474 -1.277 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC001326624711 1074745147 /nfs/dbraw/zinc/74/51/47/1074745147.db2.gz UFWYEUYIXPSQME-AEGPPILISA-N 1 0 381.477 -1.580 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001326624712 1074745413 /nfs/dbraw/zinc/74/54/13/1074745413.db2.gz UFWYEUYIXPSQME-CFVMTHIKSA-N 1 0 381.477 -1.580 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC001326624713 1074745276 /nfs/dbraw/zinc/74/52/76/1074745276.db2.gz UFWYEUYIXPSQME-NWANDNLSSA-N 1 0 381.477 -1.580 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001326624714 1074745123 /nfs/dbraw/zinc/74/51/23/1074745123.db2.gz UFWYEUYIXPSQME-QEJZJMRPSA-N 1 0 381.477 -1.580 20 0 GAADRO CC(C)[C@H](CNC(=O)C(=O)NCCN1C(=O)CCC1=O)N1CC[NH+](C)CC1 ZINC001326626250 1074745488 /nfs/dbraw/zinc/74/54/88/1074745488.db2.gz DLMAQTHASJEDGY-AWEZNQCLSA-N 1 0 381.477 -1.360 20 0 GAADRO CC(C)[C@@H](CNC(=O)C(=O)NCCN1C(=O)CCC1=O)N1CC[NH+](C)CC1 ZINC001326626251 1074745463 /nfs/dbraw/zinc/74/54/63/1074745463.db2.gz DLMAQTHASJEDGY-CQSZACIVSA-N 1 0 381.477 -1.360 20 0 GAADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC001326626339 1074745218 /nfs/dbraw/zinc/74/52/18/1074745218.db2.gz FUCAOSQAGQEYDA-AWEZNQCLSA-N 1 0 381.477 -1.359 20 0 GAADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC001326626341 1074745183 /nfs/dbraw/zinc/74/51/83/1074745183.db2.gz FUCAOSQAGQEYDA-CQSZACIVSA-N 1 0 381.477 -1.359 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC001326626743 1074745513 /nfs/dbraw/zinc/74/55/13/1074745513.db2.gz JBQOXFVNJBDSRC-CYBMUJFWSA-N 1 0 393.444 -1.983 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC001326626746 1074745248 /nfs/dbraw/zinc/74/52/48/1074745248.db2.gz JBQOXFVNJBDSRC-ZDUSSCGKSA-N 1 0 393.444 -1.983 20 0 GAADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCN3C(=O)CCC3=O)CC2)CC1 ZINC001326627205 1074745536 /nfs/dbraw/zinc/74/55/36/1074745536.db2.gz MJCGMTJWIJNYER-UHFFFAOYSA-N 1 0 393.488 -1.262 20 0 GAADRO O=C(NCCN1C(=O)CCC1=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001326628827 1074745805 /nfs/dbraw/zinc/74/58/05/1074745805.db2.gz USBOUGQJLXLHSC-UHFFFAOYSA-N 1 0 380.445 -1.178 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001326631480 1074745716 /nfs/dbraw/zinc/74/57/16/1074745716.db2.gz HVJPUVADNNYMPW-IHRRRGAJSA-N 1 0 398.460 -1.521 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001326631481 1074745764 /nfs/dbraw/zinc/74/57/64/1074745764.db2.gz HVJPUVADNNYMPW-MJBXVCDLSA-N 1 0 398.460 -1.521 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/nfs/dbraw/zinc/74/73/27/1074747327.db2.gz IMXIFEKCTLNFSH-OAHLLOKOSA-N 1 0 391.476 -1.549 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001326660812 1074747440 /nfs/dbraw/zinc/74/74/40/1074747440.db2.gz NVDQMWHQLMKWII-CABCVRRESA-N 1 0 394.476 -2.255 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001326660819 1074747603 /nfs/dbraw/zinc/74/76/03/1074747603.db2.gz NVDQMWHQLMKWII-GJZGRUSLSA-N 1 0 394.476 -2.255 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001326660820 1074747530 /nfs/dbraw/zinc/74/75/30/1074747530.db2.gz NVDQMWHQLMKWII-HUUCEWRRSA-N 1 0 394.476 -2.255 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001326660821 1074747551 /nfs/dbraw/zinc/74/75/51/1074747551.db2.gz NVDQMWHQLMKWII-LSDHHAIUSA-N 1 0 394.476 -2.255 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC2(C1)OCCO2 ZINC001326660890 1074747573 /nfs/dbraw/zinc/74/75/73/1074747573.db2.gz OEPAQPAKHAMEBE-HNNXBMFYSA-N 1 0 382.461 -1.516 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCC2(C1)OCCO2 ZINC001326660893 1074747377 /nfs/dbraw/zinc/74/73/77/1074747377.db2.gz OEPAQPAKHAMEBE-OAHLLOKOSA-N 1 0 382.461 -1.516 20 0 GAADRO COC(=O)NC1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001326660974 1074747259 /nfs/dbraw/zinc/74/72/59/1074747259.db2.gz OZEJOELUZFZVCR-CYBMUJFWSA-N 1 0 383.449 -1.924 20 0 GAADRO COC(=O)NC1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001326660977 1074747300 /nfs/dbraw/zinc/74/73/00/1074747300.db2.gz OZEJOELUZFZVCR-ZDUSSCGKSA-N 1 0 383.449 -1.924 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N(CCO)C1CCOCC1 ZINC001326662001 1074747824 /nfs/dbraw/zinc/74/78/24/1074747824.db2.gz GWJWHNJHAFXJEB-INIZCTEOSA-N 1 0 398.504 -1.491 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N(CCO)C1CCOCC1 ZINC001326662003 1074747975 /nfs/dbraw/zinc/74/79/75/1074747975.db2.gz GWJWHNJHAFXJEB-MRXNPFEDSA-N 1 0 398.504 -1.491 20 0 GAADRO CC1(C)OCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CO1 ZINC001326662109 1074748008 /nfs/dbraw/zinc/74/80/08/1074748008.db2.gz ZNOUNHNVPHJKPW-AWEZNQCLSA-N 1 0 384.477 -1.223 20 0 GAADRO CC1(C)OCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CO1 ZINC001326662110 1074747851 /nfs/dbraw/zinc/74/78/51/1074747851.db2.gz ZNOUNHNVPHJKPW-CQSZACIVSA-N 1 0 384.477 -1.223 20 0 GAADRO CCON(C)C(=O)CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001326664928 1074747917 /nfs/dbraw/zinc/74/79/17/1074747917.db2.gz YDILJPHQZDKFKM-UHFFFAOYSA-N 1 0 392.460 -1.024 20 0 GAADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCSC1 ZINC001326667633 1074748301 /nfs/dbraw/zinc/74/83/01/1074748301.db2.gz DAIOAGSHDMXRMV-BXUZGUMPSA-N 1 0 378.520 -1.310 20 0 GAADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCSC1 ZINC001326667635 1074748363 /nfs/dbraw/zinc/74/83/63/1074748363.db2.gz DAIOAGSHDMXRMV-FZMZJTMJSA-N 1 0 378.520 -1.310 20 0 GAADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCSC1 ZINC001326667637 1074748210 /nfs/dbraw/zinc/74/82/10/1074748210.db2.gz DAIOAGSHDMXRMV-RISCZKNCSA-N 1 0 378.520 -1.310 20 0 GAADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCSC1 ZINC001326667639 1074748244 /nfs/dbraw/zinc/74/82/44/1074748244.db2.gz DAIOAGSHDMXRMV-SMDDNHRTSA-N 1 0 378.520 -1.310 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NCCC(=O)N2CCCCC2)CC1=O ZINC001326669026 1074748200 /nfs/dbraw/zinc/74/82/00/1074748200.db2.gz RVVAFASNHXZYKY-UHFFFAOYSA-N 1 0 381.477 -1.262 20 0 GAADRO O=C(CN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001326674778 1074748381 /nfs/dbraw/zinc/74/83/81/1074748381.db2.gz HBKXOHVDOJUXNF-CABCVRRESA-N 1 0 398.529 -1.176 20 0 GAADRO O=C(CN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001326674781 1074748536 /nfs/dbraw/zinc/74/85/36/1074748536.db2.gz HBKXOHVDOJUXNF-GJZGRUSLSA-N 1 0 398.529 -1.176 20 0 GAADRO O=C(CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001326674783 1074748642 /nfs/dbraw/zinc/74/86/42/1074748642.db2.gz HBKXOHVDOJUXNF-HUUCEWRRSA-N 1 0 398.529 -1.176 20 0 GAADRO O=C(CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001326674785 1074748718 /nfs/dbraw/zinc/74/87/18/1074748718.db2.gz HBKXOHVDOJUXNF-LSDHHAIUSA-N 1 0 398.529 -1.176 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001326675518 1074748729 /nfs/dbraw/zinc/74/87/29/1074748729.db2.gz LXROOUSINPXQQQ-UHFFFAOYSA-N 1 0 390.506 -1.940 20 0 GAADRO [NH3+]CCCCn1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)nn1 ZINC001326676383 1074748741 /nfs/dbraw/zinc/74/87/41/1074748741.db2.gz SJOKBKPVFKPCPZ-UHFFFAOYSA-N 1 0 379.465 -1.366 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC001326676550 1074748789 /nfs/dbraw/zinc/74/87/89/1074748789.db2.gz PNUVUMGQGIFVKL-UHFFFAOYSA-N 1 0 377.511 -1.121 20 0 GAADRO O=C(CN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001326676589 1074748570 /nfs/dbraw/zinc/74/85/70/1074748570.db2.gz NGFKNADYQMFNNY-KBPBESRZSA-N 1 0 388.490 -2.188 20 0 GAADRO O=C(CN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001326676596 1074748543 /nfs/dbraw/zinc/74/85/43/1074748543.db2.gz NGFKNADYQMFNNY-KGLIPLIRSA-N 1 0 388.490 -2.188 20 0 GAADRO O=C(CN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001326676601 1074748609 /nfs/dbraw/zinc/74/86/09/1074748609.db2.gz NGFKNADYQMFNNY-UONOGXRCSA-N 1 0 388.490 -2.188 20 0 GAADRO O=C(CN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001326676607 1074748676 /nfs/dbraw/zinc/74/86/76/1074748676.db2.gz NGFKNADYQMFNNY-ZIAGYGMSSA-N 1 0 388.490 -2.188 20 0 GAADRO C[C@H](Cn1cncn1)NC(=O)C[C@]1(C(=O)N[C@H](C)Cn2cncn2)CC[NH2+]C1 ZINC001326678208 1074748961 /nfs/dbraw/zinc/74/89/61/1074748961.db2.gz VLRMDZRZRIEKSL-CKEIUWERSA-N 1 0 389.464 -1.051 20 0 GAADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC001326678316 1074749016 /nfs/dbraw/zinc/74/90/16/1074749016.db2.gz DEDHFBWBJVGGPA-UHFFFAOYSA-N 1 0 380.449 -1.126 20 0 GAADRO C[C@H](Cn1cncn1)NC(=O)C[C@@]1(C(=O)N[C@H](C)Cn2cncn2)CC[NH2+]C1 ZINC001326678703 1074749001 /nfs/dbraw/zinc/74/90/01/1074749001.db2.gz VLRMDZRZRIEKSL-CPUCHLNUSA-N 1 0 389.464 -1.051 20 0 GAADRO C[C@H](Cn1cncn1)NC(=O)C[C@]1(C(=O)N[C@@H](C)Cn2cncn2)CC[NH2+]C1 ZINC001326678704 1074749126 /nfs/dbraw/zinc/74/91/26/1074749126.db2.gz VLRMDZRZRIEKSL-JKIFEVAISA-N 1 0 389.464 -1.051 20 0 GAADRO C[C@H](Cn1cncn1)NC(=O)C[C@@]1(C(=O)N[C@@H](C)Cn2cncn2)CC[NH2+]C1 ZINC001326678705 1074748919 /nfs/dbraw/zinc/74/89/19/1074748919.db2.gz VLRMDZRZRIEKSL-KEYYUXOJSA-N 1 0 389.464 -1.051 20 0 GAADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3cc(C(N)=O)no3)CC2)C1 ZINC001326679673 1074749094 /nfs/dbraw/zinc/74/90/94/1074749094.db2.gz LETDPZWYMCBSPN-GFCCVEGCSA-N 1 0 378.433 -1.372 20 0 GAADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cc(C(N)=O)no3)CC2)C1 ZINC001326679675 1074748943 /nfs/dbraw/zinc/74/89/43/1074748943.db2.gz LETDPZWYMCBSPN-LBPRGKRZSA-N 1 0 378.433 -1.372 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)CC1=O ZINC001326682429 1074749299 /nfs/dbraw/zinc/74/92/99/1074749299.db2.gz VSQARAAPXPSLMT-UHFFFAOYSA-N 1 0 389.478 -2.585 20 0 GAADRO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001326688756 1074749337 /nfs/dbraw/zinc/74/93/37/1074749337.db2.gz LCYXFEPNMGSCAK-HZPDHXFCSA-N 1 0 398.504 -1.493 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)CC1=O ZINC001326689427 1074749378 /nfs/dbraw/zinc/74/93/78/1074749378.db2.gz RUODDNLQFKCURZ-KBPBESRZSA-N 1 0 379.461 -1.512 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)CC1=O ZINC001326689428 1074749420 /nfs/dbraw/zinc/74/94/20/1074749420.db2.gz RUODDNLQFKCURZ-KGLIPLIRSA-N 1 0 379.461 -1.512 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CC1=O ZINC001326689429 1074749709 /nfs/dbraw/zinc/74/97/09/1074749709.db2.gz RUODDNLQFKCURZ-UONOGXRCSA-N 1 0 379.461 -1.512 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CC1=O ZINC001326689430 1074749585 /nfs/dbraw/zinc/74/95/85/1074749585.db2.gz RUODDNLQFKCURZ-ZIAGYGMSSA-N 1 0 379.461 -1.512 20 0 GAADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001326700579 1074750022 /nfs/dbraw/zinc/75/00/22/1074750022.db2.gz ISFCONHRYCRBSO-CYBMUJFWSA-N 1 0 390.506 -1.558 20 0 GAADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001326700580 1074749986 /nfs/dbraw/zinc/74/99/86/1074749986.db2.gz ISFCONHRYCRBSO-ZDUSSCGKSA-N 1 0 390.506 -1.558 20 0 GAADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC001326702792 1074750285 /nfs/dbraw/zinc/75/02/85/1074750285.db2.gz VTYXLTCIRXROBA-HZSPNIEDSA-N 1 0 390.506 -1.248 20 0 GAADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC001326702793 1074750204 /nfs/dbraw/zinc/75/02/04/1074750204.db2.gz VTYXLTCIRXROBA-MCIONIFRSA-N 1 0 390.506 -1.248 20 0 GAADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC001326702794 1074750176 /nfs/dbraw/zinc/75/01/76/1074750176.db2.gz VTYXLTCIRXROBA-MGPQQGTHSA-N 1 0 390.506 -1.248 20 0 GAADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC001326702795 1074750151 /nfs/dbraw/zinc/75/01/51/1074750151.db2.gz VTYXLTCIRXROBA-MJBXVCDLSA-N 1 0 390.506 -1.248 20 0 GAADRO CCON(C)C(=O)CNC(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001326703536 1074750222 /nfs/dbraw/zinc/75/02/22/1074750222.db2.gz XHHFKRXNJGLBNT-UHFFFAOYSA-N 1 0 385.465 -1.475 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NCCOc2ncccc2F)CC1=O ZINC001326713549 1074750875 /nfs/dbraw/zinc/75/08/75/1074750875.db2.gz XLMYCOUFODYADV-UHFFFAOYSA-N 1 0 381.408 -1.052 20 0 GAADRO CCn1cccc(CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1=O ZINC001326724094 1074751219 /nfs/dbraw/zinc/75/12/19/1074751219.db2.gz AMFVHMUHHBKKMR-UHFFFAOYSA-N 1 0 377.445 -1.283 20 0 GAADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1(C)C ZINC001326725196 1074751233 /nfs/dbraw/zinc/75/12/33/1074751233.db2.gz QVTDCCJXFLTLSS-GFCCVEGCSA-N 1 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CO[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCOC1 ZINC001327440039 1074785761 /nfs/dbraw/zinc/78/57/61/1074785761.db2.gz QDEUTRWIKWDIBR-RDTXWAMCSA-N 1 0 382.461 -1.327 20 0 GAADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ncn(C)n1 ZINC001327451885 1074786226 /nfs/dbraw/zinc/78/62/26/1074786226.db2.gz DVUYVZXFGTVEFW-CYBMUJFWSA-N 1 0 377.449 -1.241 20 0 GAADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ncn(C)n1 ZINC001327451886 1074786205 /nfs/dbraw/zinc/78/62/05/1074786205.db2.gz DVUYVZXFGTVEFW-ZDUSSCGKSA-N 1 0 377.449 -1.241 20 0 GAADRO O=C(Cn1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cn1)N1CCOCC1 ZINC001327457191 1074786145 /nfs/dbraw/zinc/78/61/45/1074786145.db2.gz IHBLYCNUMWTEKS-UHFFFAOYSA-N 1 0 376.417 -1.451 20 0 GAADRO O=C(NCCN1C(=O)CNC1=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001327464184 1074786477 /nfs/dbraw/zinc/78/64/77/1074786477.db2.gz ALWZUHJPMRMUEU-UHFFFAOYSA-N 1 0 388.428 -1.170 20 0 GAADRO O=C(NCCCN1C(=O)CNC1=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001327465134 1074786563 /nfs/dbraw/zinc/78/65/63/1074786563.db2.gz IYEFLSRSEHEIEA-AWEZNQCLSA-N 1 0 395.460 -1.196 20 0 GAADRO O=C(NCCCN1C(=O)CNC1=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001327465139 1074786524 /nfs/dbraw/zinc/78/65/24/1074786524.db2.gz IYEFLSRSEHEIEA-CQSZACIVSA-N 1 0 395.460 -1.196 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001327466737 1074786489 /nfs/dbraw/zinc/78/64/89/1074786489.db2.gz ZUHGTZQWIMANND-AWEZNQCLSA-N 1 0 390.506 -1.199 20 0 GAADRO CCS(=O)(=O)NCCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001327466738 1074786535 /nfs/dbraw/zinc/78/65/35/1074786535.db2.gz ZUHGTZQWIMANND-CQSZACIVSA-N 1 0 390.506 -1.199 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC001327471804 1074786836 /nfs/dbraw/zinc/78/68/36/1074786836.db2.gz LUPKLUFLVPLUKD-CYBMUJFWSA-N 1 0 380.449 -1.077 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001327472003 1074786863 /nfs/dbraw/zinc/78/68/63/1074786863.db2.gz 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/nfs/dbraw/zinc/78/72/02/1074787202.db2.gz JPVDRKGSQQPUAP-UHFFFAOYSA-N 1 0 390.466 -3.515 20 0 GAADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC001327487351 1074787257 /nfs/dbraw/zinc/78/72/57/1074787257.db2.gz VKGJKCSUTOZSGT-CHWSQXEVSA-N 1 0 379.392 -1.001 20 0 GAADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cn2)CC1 ZINC001327487819 1074787447 /nfs/dbraw/zinc/78/74/47/1074787447.db2.gz XBXZMFCJUWJLJR-ZDUSSCGKSA-N 1 0 396.473 -1.420 20 0 GAADRO C[NH2+][C@@H](C)CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001327487969 1074787428 /nfs/dbraw/zinc/78/74/28/1074787428.db2.gz VKWLKNOIKMTEGC-AWEZNQCLSA-N 1 0 376.527 -1.196 20 0 GAADRO C[NH2+][C@H](C)CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001327487970 1074787289 /nfs/dbraw/zinc/78/72/89/1074787289.db2.gz VKWLKNOIKMTEGC-CQSZACIVSA-N 1 0 376.527 -1.196 20 0 GAADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001327488207 1074787851 /nfs/dbraw/zinc/78/78/51/1074787851.db2.gz ZEYLRDCZILZOTC-HNNXBMFYSA-N 1 0 380.493 -1.196 20 0 GAADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001327488209 1074787856 /nfs/dbraw/zinc/78/78/56/1074787856.db2.gz ZEYLRDCZILZOTC-OAHLLOKOSA-N 1 0 380.493 -1.196 20 0 GAADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3nnn(C)n3)cn2)CC1 ZINC001327490020 1074787674 /nfs/dbraw/zinc/78/76/74/1074787674.db2.gz MEYPPZDBHCPJIF-UHFFFAOYSA-N 1 0 387.448 -1.320 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C[NH+]1CCN(C)CC1 ZINC001327490884 1074787685 /nfs/dbraw/zinc/78/76/85/1074787685.db2.gz AZQWPZCOZJTUTQ-KBPBESRZSA-N 1 0 389.522 -1.864 20 0 GAADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C[NH+]1CCN(C)CC1 ZINC001327490885 1074787828 /nfs/dbraw/zinc/78/78/28/1074787828.db2.gz AZQWPZCOZJTUTQ-KGLIPLIRSA-N 1 0 389.522 -1.864 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C[NH+]1CCN(C)CC1 ZINC001327490886 1074787804 /nfs/dbraw/zinc/78/78/04/1074787804.db2.gz AZQWPZCOZJTUTQ-UONOGXRCSA-N 1 0 389.522 -1.864 20 0 GAADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C[NH+]1CCN(C)CC1 ZINC001327490887 1074787761 /nfs/dbraw/zinc/78/77/61/1074787761.db2.gz AZQWPZCOZJTUTQ-ZIAGYGMSSA-N 1 0 389.522 -1.864 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC001327491274 1074787777 /nfs/dbraw/zinc/78/77/77/1074787777.db2.gz DMYKWJQEHFGBET-GJZGRUSLSA-N 1 0 384.477 -1.081 20 0 GAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)n1 ZINC001327497755 1074788548 /nfs/dbraw/zinc/78/85/48/1074788548.db2.gz HJOCOBLKRVSQSX-UHFFFAOYSA-N 1 0 379.417 -1.087 20 0 GAADRO CCS(=O)(=O)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC001327498872 1074788481 /nfs/dbraw/zinc/78/84/81/1074788481.db2.gz NCOVXHHADVJKQX-GFCCVEGCSA-N 1 0 388.490 -1.617 20 0 GAADRO CCS(=O)(=O)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC001327498873 1074788559 /nfs/dbraw/zinc/78/85/59/1074788559.db2.gz NCOVXHHADVJKQX-LBPRGKRZSA-N 1 0 388.490 -1.617 20 0 GAADRO CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001327499700 1074788429 /nfs/dbraw/zinc/78/84/29/1074788429.db2.gz QPLOJZPWROCBPT-UHFFFAOYSA-N 1 0 380.445 -1.228 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H](COC)C2)CC1 ZINC001327500866 1074788534 /nfs/dbraw/zinc/78/85/34/1074788534.db2.gz UWEWZNBDVRRTQR-HNNXBMFYSA-N 1 0 384.477 -1.033 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@@H](COC)C2)CC1 ZINC001327500868 1074788490 /nfs/dbraw/zinc/78/84/90/1074788490.db2.gz UWEWZNBDVRRTQR-OAHLLOKOSA-N 1 0 384.477 -1.033 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)CC1=O ZINC001327507542 1074789227 /nfs/dbraw/zinc/78/92/27/1074789227.db2.gz KBQMNFVLICXPBF-UHFFFAOYSA-N 1 0 391.494 -2.337 20 0 GAADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001327507853 1074789289 /nfs/dbraw/zinc/78/92/89/1074789289.db2.gz QATHBEFUZLQERX-UHFFFAOYSA-N 1 0 392.522 -1.141 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC001327514067 1074790093 /nfs/dbraw/zinc/79/00/93/1074790093.db2.gz DGVKAHPIUPHKTF-HNNXBMFYSA-N 1 0 375.495 -1.557 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC001327514069 1074790056 /nfs/dbraw/zinc/79/00/56/1074790056.db2.gz DGVKAHPIUPHKTF-OAHLLOKOSA-N 1 0 375.495 -1.557 20 0 GAADRO CC(=O)NCc1ccc(CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC001327516590 1074790099 /nfs/dbraw/zinc/79/00/99/1074790099.db2.gz UXUNBQXYSJPJMS-UHFFFAOYSA-N 1 0 375.429 -1.513 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001327516782 1074790175 /nfs/dbraw/zinc/79/01/75/1074790175.db2.gz WBRFYIVIQUWKJK-UHFFFAOYSA-N 1 0 395.485 -1.143 20 0 GAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001327517097 1074790162 /nfs/dbraw/zinc/79/01/62/1074790162.db2.gz CEMQEYRRJYTRKL-AWEZNQCLSA-N 1 0 396.535 -1.661 20 0 GAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001327517098 1074790028 /nfs/dbraw/zinc/79/00/28/1074790028.db2.gz CEMQEYRRJYTRKL-CQSZACIVSA-N 1 0 396.535 -1.661 20 0 GAADRO CC(C)[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CC[NH2+]1 ZINC001327518687 1074789999 /nfs/dbraw/zinc/78/99/99/1074789999.db2.gz FGHPYTOOFHEOPE-CYBMUJFWSA-N 1 0 376.479 -1.779 20 0 GAADRO [NH3+]C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)C1CCCCC1 ZINC001327521025 1074790082 /nfs/dbraw/zinc/79/00/82/1074790082.db2.gz RDLWJPNXOMFOQW-AWEZNQCLSA-N 1 0 390.506 -1.212 20 0 GAADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)C1CCCCC1 ZINC001327521026 1074790134 /nfs/dbraw/zinc/79/01/34/1074790134.db2.gz RDLWJPNXOMFOQW-CQSZACIVSA-N 1 0 390.506 -1.212 20 0 GAADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001327521075 1074790145 /nfs/dbraw/zinc/79/01/45/1074790145.db2.gz WNHIGNYKVGDLCM-CABCVRRESA-N 1 0 397.563 -1.178 20 0 GAADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001327521076 1074790544 /nfs/dbraw/zinc/79/05/44/1074790544.db2.gz WNHIGNYKVGDLCM-GJZGRUSLSA-N 1 0 397.563 -1.178 20 0 GAADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327521077 1074790491 /nfs/dbraw/zinc/79/04/91/1074790491.db2.gz WNHIGNYKVGDLCM-HUUCEWRRSA-N 1 0 397.563 -1.178 20 0 GAADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327521078 1074790437 /nfs/dbraw/zinc/79/04/37/1074790437.db2.gz WNHIGNYKVGDLCM-LSDHHAIUSA-N 1 0 397.563 -1.178 20 0 GAADRO CN1C(=O)NC2(CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)C1=O ZINC001327521240 1074790514 /nfs/dbraw/zinc/79/05/14/1074790514.db2.gz JCQCDWXCLHWJEE-UHFFFAOYSA-N 1 0 395.460 -1.242 20 0 GAADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001327522012 1074790477 /nfs/dbraw/zinc/79/04/77/1074790477.db2.gz YQMXWGHPTBTCMD-NEPJUHHUSA-N 1 0 392.478 -2.006 20 0 GAADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001327522016 1074790333 /nfs/dbraw/zinc/79/03/33/1074790333.db2.gz YQMXWGHPTBTCMD-NWDGAFQWSA-N 1 0 392.478 -2.006 20 0 GAADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001327522020 1074790524 /nfs/dbraw/zinc/79/05/24/1074790524.db2.gz YQMXWGHPTBTCMD-RYUDHWBXSA-N 1 0 392.478 -2.006 20 0 GAADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001327522024 1074790371 /nfs/dbraw/zinc/79/03/71/1074790371.db2.gz YQMXWGHPTBTCMD-VXGBXAGGSA-N 1 0 392.478 -2.006 20 0 GAADRO COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001327522337 1074790288 /nfs/dbraw/zinc/79/02/88/1074790288.db2.gz RQWIIGYZKIPRCN-HNNXBMFYSA-N 1 0 385.461 -1.013 20 0 GAADRO COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001327522338 1074790418 /nfs/dbraw/zinc/79/04/18/1074790418.db2.gz RQWIIGYZKIPRCN-OAHLLOKOSA-N 1 0 385.461 -1.013 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001327522675 1074790388 /nfs/dbraw/zinc/79/03/88/1074790388.db2.gz WSYJGCOSZFCWHH-UHFFFAOYSA-N 1 0 396.536 -1.637 20 0 GAADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H]1C(F)(F)F 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/nfs/dbraw/zinc/82/63/08/1074826308.db2.gz IWXAVMXIVKAMKD-HZPDHXFCSA-N 1 0 398.504 -1.097 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)OC)C2)CC1 ZINC001328254848 1074826335 /nfs/dbraw/zinc/82/63/35/1074826335.db2.gz IWXAVMXIVKAMKD-JKSUJKDBSA-N 1 0 398.504 -1.097 20 0 GAADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001328263531 1074826672 /nfs/dbraw/zinc/82/66/72/1074826672.db2.gz FXJXKWOIYCETRR-UHFFFAOYSA-N 1 0 398.552 -1.439 20 0 GAADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001328264603 1074826702 /nfs/dbraw/zinc/82/67/02/1074826702.db2.gz RWMXWQPACFGEKF-INIZCTEOSA-N 1 0 395.504 -1.364 20 0 GAADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001328264604 1074826586 /nfs/dbraw/zinc/82/65/86/1074826586.db2.gz RWMXWQPACFGEKF-MRXNPFEDSA-N 1 0 395.504 -1.364 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001328265548 1074827008 /nfs/dbraw/zinc/82/70/08/1074827008.db2.gz AJVWZRJNDKQUKJ-AWEZNQCLSA-N 1 0 397.476 -1.980 20 0 GAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001328265549 1074826928 /nfs/dbraw/zinc/82/69/28/1074826928.db2.gz AJVWZRJNDKQUKJ-CQSZACIVSA-N 1 0 397.476 -1.980 20 0 GAADRO CCN(OC)C(=O)CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001328272043 1074827246 /nfs/dbraw/zinc/82/72/46/1074827246.db2.gz NQLYCQOCCXCXHJ-UHFFFAOYSA-N 1 0 392.460 -1.024 20 0 GAADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001328276403 1074827276 /nfs/dbraw/zinc/82/72/76/1074827276.db2.gz ODKZKEOLXOZUDH-HNNXBMFYSA-N 1 0 381.477 -1.216 20 0 GAADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001328276404 1074827303 /nfs/dbraw/zinc/82/73/03/1074827303.db2.gz ODKZKEOLXOZUDH-OAHLLOKOSA-N 1 0 381.477 -1.216 20 0 GAADRO COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001328284551 1074827581 /nfs/dbraw/zinc/82/75/81/1074827581.db2.gz GURLRKYTCRVNOD-KBPBESRZSA-N 1 0 384.477 -1.489 20 0 GAADRO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001328284553 1074827635 /nfs/dbraw/zinc/82/76/35/1074827635.db2.gz GURLRKYTCRVNOD-KGLIPLIRSA-N 1 0 384.477 -1.489 20 0 GAADRO COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001328284555 1074827538 /nfs/dbraw/zinc/82/75/38/1074827538.db2.gz GURLRKYTCRVNOD-UONOGXRCSA-N 1 0 384.477 -1.489 20 0 GAADRO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001328284557 1074827696 /nfs/dbraw/zinc/82/76/96/1074827696.db2.gz GURLRKYTCRVNOD-ZIAGYGMSSA-N 1 0 384.477 -1.489 20 0 GAADRO CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001328287127 1074827619 /nfs/dbraw/zinc/82/76/19/1074827619.db2.gz FNEUVGOGSODDDD-UHFFFAOYSA-N 1 0 381.477 -1.264 20 0 GAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001328296578 1074828293 /nfs/dbraw/zinc/82/82/93/1074828293.db2.gz XEBZDKKRAKPBDP-KBPBESRZSA-N 1 0 388.490 -1.494 20 0 GAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001328296580 1074828267 /nfs/dbraw/zinc/82/82/67/1074828267.db2.gz XEBZDKKRAKPBDP-KGLIPLIRSA-N 1 0 388.490 -1.494 20 0 GAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001328296582 1074828278 /nfs/dbraw/zinc/82/82/78/1074828278.db2.gz XEBZDKKRAKPBDP-UONOGXRCSA-N 1 0 388.490 -1.494 20 0 GAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001328296584 1074828251 /nfs/dbraw/zinc/82/82/51/1074828251.db2.gz XEBZDKKRAKPBDP-ZIAGYGMSSA-N 1 0 388.490 -1.494 20 0 GAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001328299932 1074828667 /nfs/dbraw/zinc/82/86/67/1074828667.db2.gz FRDQMEVMPHLPNZ-INIZCTEOSA-N 1 0 391.490 -1.513 20 0 GAADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001328299934 1074828565 /nfs/dbraw/zinc/82/85/65/1074828565.db2.gz FRDQMEVMPHLPNZ-MRXNPFEDSA-N 1 0 391.490 -1.513 20 0 GAADRO CN(CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)S(C)(=O)=O ZINC001328301703 1074828624 /nfs/dbraw/zinc/82/86/24/1074828624.db2.gz MIHFDZNMXSIREF-QWHCGFSZSA-N 1 0 386.478 -1.929 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1nc(N)nc(N(C)C)n1 ZINC001328311186 1074828951 /nfs/dbraw/zinc/82/89/51/1074828951.db2.gz LYXUKFGKQZBUBG-UHFFFAOYSA-N 1 0 380.453 -1.618 20 0 GAADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CCO1 ZINC001328311525 1074828959 /nfs/dbraw/zinc/82/89/59/1074828959.db2.gz CKNJARUZJRWIHN-ILXRZTDVSA-N 1 0 382.461 -1.329 20 0 GAADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CCO1 ZINC001328311527 1074828885 /nfs/dbraw/zinc/82/88/85/1074828885.db2.gz CKNJARUZJRWIHN-KKUMJFAQSA-N 1 0 382.461 -1.329 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC001328312705 1074828904 /nfs/dbraw/zinc/82/89/04/1074828904.db2.gz URNUGLKBPXWQNR-HNNXBMFYSA-N 1 0 382.461 -1.639 20 0 GAADRO COCCN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC001328312708 1074828861 /nfs/dbraw/zinc/82/88/61/1074828861.db2.gz URNUGLKBPXWQNR-OAHLLOKOSA-N 1 0 382.461 -1.639 20 0 GAADRO NC(=O)c1csc(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC001328315534 1074828930 /nfs/dbraw/zinc/82/89/30/1074828930.db2.gz IZCPFXNCSNCQIO-LLVKDONJSA-N 1 0 381.458 -1.084 20 0 GAADRO NC(=O)c1csc(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC001328315535 1074828914 /nfs/dbraw/zinc/82/89/14/1074828914.db2.gz IZCPFXNCSNCQIO-NSHDSACASA-N 1 0 381.458 -1.084 20 0 GAADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCO1 ZINC001328325622 1074829493 /nfs/dbraw/zinc/82/94/93/1074829493.db2.gz LVUMEWTXUXZFIS-CHWSQXEVSA-N 1 0 381.433 -1.682 20 0 GAADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCO1 ZINC001328325623 1074829500 /nfs/dbraw/zinc/82/95/00/1074829500.db2.gz LVUMEWTXUXZFIS-OLZOCXBDSA-N 1 0 381.433 -1.682 20 0 GAADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCO1 ZINC001328325624 1074829496 /nfs/dbraw/zinc/82/94/96/1074829496.db2.gz LVUMEWTXUXZFIS-QWHCGFSZSA-N 1 0 381.433 -1.682 20 0 GAADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCO1 ZINC001328325625 1074829549 /nfs/dbraw/zinc/82/95/49/1074829549.db2.gz LVUMEWTXUXZFIS-STQMWFEESA-N 1 0 381.433 -1.682 20 0 GAADRO C[NH+]1CCC(CNC(=O)c2cnn(C[C@H](O)CO)c2)(N2CCOCC2)CC1 ZINC001328339414 1074830127 /nfs/dbraw/zinc/83/01/27/1074830127.db2.gz LNDZOYSAHXKIHD-INIZCTEOSA-N 1 0 381.477 -1.237 20 0 GAADRO C[NH+]1CCC(CNC(=O)c2cnn(C[C@@H](O)CO)c2)(N2CCOCC2)CC1 ZINC001328339415 1074830083 /nfs/dbraw/zinc/83/00/83/1074830083.db2.gz LNDZOYSAHXKIHD-MRXNPFEDSA-N 1 0 381.477 -1.237 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C[C@H]2[NH3+])cn1 ZINC001328344395 1074830093 /nfs/dbraw/zinc/83/00/93/1074830093.db2.gz AYPDPBHOBQSXNU-UONOGXRCSA-N 1 0 383.412 -1.067 20 0 GAADRO 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/nfs/dbraw/zinc/83/06/74/1074830674.db2.gz BNLHUINLGNXOPZ-UHFFFAOYSA-N 1 0 393.444 -1.806 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001328370578 1074830909 /nfs/dbraw/zinc/83/09/09/1074830909.db2.gz QRMNIJMUKAYTQB-BFHYXJOUSA-N 1 0 387.506 -1.559 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001328370579 1074831037 /nfs/dbraw/zinc/83/10/37/1074831037.db2.gz QRMNIJMUKAYTQB-HZSPNIEDSA-N 1 0 387.506 -1.559 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001328370580 1074830917 /nfs/dbraw/zinc/83/09/17/1074830917.db2.gz QRMNIJMUKAYTQB-MELADBBJSA-N 1 0 387.506 -1.559 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001328370581 1074830940 /nfs/dbraw/zinc/83/09/40/1074830940.db2.gz QRMNIJMUKAYTQB-MGPQQGTHSA-N 1 0 387.506 -1.559 20 0 GAADRO CN(CCCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)S(C)(=O)=O ZINC001328370646 1074830972 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383.449 -1.340 20 0 GAADRO C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CS1(=O)=O ZINC001328381326 1074830976 /nfs/dbraw/zinc/83/09/76/1074830976.db2.gz UTZFTKPAPREOOI-AHLTXXRQSA-N 1 0 383.474 -1.245 20 0 GAADRO C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CS1(=O)=O ZINC001328381328 1074831075 /nfs/dbraw/zinc/83/10/75/1074831075.db2.gz UTZFTKPAPREOOI-DOERSZECSA-N 1 0 383.474 -1.245 20 0 GAADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CS1(=O)=O ZINC001328381331 1074831090 /nfs/dbraw/zinc/83/10/90/1074831090.db2.gz UTZFTKPAPREOOI-RUZUBIRVSA-N 1 0 383.474 -1.245 20 0 GAADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CS1(=O)=O ZINC001328381333 1074831011 /nfs/dbraw/zinc/83/10/11/1074831011.db2.gz UTZFTKPAPREOOI-VZZFWQQMSA-N 1 0 383.474 -1.245 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC001328381385 1074830962 /nfs/dbraw/zinc/83/09/62/1074830962.db2.gz VIKFRMSPCBFPBU-CQSZACIVSA-N 1 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COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC001328384852 1074831387 /nfs/dbraw/zinc/83/13/87/1074831387.db2.gz JHAALZUEKFINMC-OAHLLOKOSA-N 1 0 383.445 -1.042 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC001328384877 1074831348 /nfs/dbraw/zinc/83/13/48/1074831348.db2.gz JTEDHIWINCALRS-IBGZPJMESA-N 1 0 393.488 -1.262 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC001328384879 1074831316 /nfs/dbraw/zinc/83/13/16/1074831316.db2.gz JTEDHIWINCALRS-LJQANCHMSA-N 1 0 393.488 -1.262 20 0 GAADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC001328387237 1074831336 /nfs/dbraw/zinc/83/13/36/1074831336.db2.gz KHBKKCLVWXQIQP-UHFFFAOYSA-N 1 0 375.472 -1.059 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001328398409 1074831780 /nfs/dbraw/zinc/83/17/80/1074831780.db2.gz QQFJDEKBFFTOAN-AWEZNQCLSA-N 1 0 381.477 -1.312 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001328398410 1074831727 /nfs/dbraw/zinc/83/17/27/1074831727.db2.gz QQFJDEKBFFTOAN-CQSZACIVSA-N 1 0 381.477 -1.312 20 0 GAADRO [NH3+]CCn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nn1 ZINC001328399246 1074831641 /nfs/dbraw/zinc/83/16/41/1074831641.db2.gz YKYRBPMQYJMDQP-UHFFFAOYSA-N 1 0 387.448 -1.174 20 0 GAADRO CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC001328400904 1074831744 /nfs/dbraw/zinc/83/17/44/1074831744.db2.gz NORJVNJMOYWXGQ-HZMBPMFUSA-N 1 0 379.383 -1.385 20 0 GAADRO CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC001328400906 1074831592 /nfs/dbraw/zinc/83/15/92/1074831592.db2.gz NORJVNJMOYWXGQ-IINYFYTJSA-N 1 0 379.383 -1.385 20 0 GAADRO CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC001328400908 1074831623 /nfs/dbraw/zinc/83/16/23/1074831623.db2.gz NORJVNJMOYWXGQ-QMTHXVAHSA-N 1 0 379.383 -1.385 20 0 GAADRO CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC001328400909 1074832031 /nfs/dbraw/zinc/83/20/31/1074832031.db2.gz NORJVNJMOYWXGQ-YGRLFVJLSA-N 1 0 379.383 -1.385 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cnn(C[C@H](O)CO)c2)cn1 ZINC001328410874 1074831988 /nfs/dbraw/zinc/83/19/88/1074831988.db2.gz TVGFHSYGQNLXPJ-AWEZNQCLSA-N 1 0 379.421 -1.637 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cnn(C[C@@H](O)CO)c2)cn1 ZINC001328410875 1074832026 /nfs/dbraw/zinc/83/20/26/1074832026.db2.gz TVGFHSYGQNLXPJ-CQSZACIVSA-N 1 0 379.421 -1.637 20 0 GAADRO CN(C)C(=O)N1CCN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC001328424853 1074832258 /nfs/dbraw/zinc/83/22/58/1074832258.db2.gz BHWFECYNQIOMEI-UHFFFAOYSA-N 1 0 382.509 -1.092 20 0 GAADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[NH2+]1 ZINC001328442925 1074833199 /nfs/dbraw/zinc/83/31/99/1074833199.db2.gz LXQARWCEWOBNIP-CYBMUJFWSA-N 1 0 375.495 -1.607 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)[C@@H]1C[NH3+] ZINC001328443241 1074833225 /nfs/dbraw/zinc/83/32/25/1074833225.db2.gz PNJOSFIVMWYTCC-CHWSQXEVSA-N 1 0 375.495 -1.477 20 0 GAADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)[C@H]1C[NH3+] ZINC001328443244 1074833220 /nfs/dbraw/zinc/83/32/20/1074833220.db2.gz PNJOSFIVMWYTCC-OLZOCXBDSA-N 1 0 375.495 -1.477 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)[C@@H]1C[NH3+] ZINC001328443246 1074833241 /nfs/dbraw/zinc/83/32/41/1074833241.db2.gz PNJOSFIVMWYTCC-QWHCGFSZSA-N 1 0 375.495 -1.477 20 0 GAADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)[C@H]1C[NH3+] ZINC001328443247 1074833194 /nfs/dbraw/zinc/83/31/94/1074833194.db2.gz PNJOSFIVMWYTCC-STQMWFEESA-N 1 0 375.495 -1.477 20 0 GAADRO [NH3+]C[C@H]1CC(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)=NO1 ZINC001328443327 1074833207 /nfs/dbraw/zinc/83/32/07/1074833207.db2.gz QNGXMHXLYYQKDQ-GHMZBOCLSA-N 1 0 394.475 -2.249 20 0 GAADRO [NH3+]C[C@H]1CC(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)=NO1 ZINC001328443329 1074833462 /nfs/dbraw/zinc/83/34/62/1074833462.db2.gz QNGXMHXLYYQKDQ-MNOVXSKESA-N 1 0 394.475 -2.249 20 0 GAADRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)=NO1 ZINC001328443330 1074833480 /nfs/dbraw/zinc/83/34/80/1074833480.db2.gz QNGXMHXLYYQKDQ-QWRGUYRKSA-N 1 0 394.475 -2.249 20 0 GAADRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)=NO1 ZINC001328443331 1074833483 /nfs/dbraw/zinc/83/34/83/1074833483.db2.gz QNGXMHXLYYQKDQ-WDEREUQCSA-N 1 0 394.475 -2.249 20 0 GAADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001328461559 1074833977 /nfs/dbraw/zinc/83/39/77/1074833977.db2.gz XGBYJHJXBYSVEL-UHFFFAOYSA-N 1 0 377.445 -1.771 20 0 GAADRO Cn1c2ncn(CC(=O)N3CCC(OCCC[NH3+])CC3)c2c(=O)n(C)c1=O ZINC001328462280 1074834166 /nfs/dbraw/zinc/83/41/66/1074834166.db2.gz KRCLEIWBYAZFQH-UHFFFAOYSA-N 1 0 378.433 -1.210 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1(n2cnnn2)CCOCC1 ZINC001328471296 1074834082 /nfs/dbraw/zinc/83/40/82/1074834082.db2.gz QRRQFAZOCSIENC-HNNXBMFYSA-N 1 0 379.465 -1.299 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1(n2cnnn2)CCOCC1 ZINC001328471299 1074834007 /nfs/dbraw/zinc/83/40/07/1074834007.db2.gz QRRQFAZOCSIENC-OAHLLOKOSA-N 1 0 379.465 -1.299 20 0 GAADRO O=C(C(=O)N1CCC(N2CCOC2=O)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001328472605 1074833969 /nfs/dbraw/zinc/83/39/69/1074833969.db2.gz JJQYZTRXMFDPDQ-HNNXBMFYSA-N 1 0 379.461 -1.064 20 0 GAADRO O=C(C(=O)N1CCC(N2CCOC2=O)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001328472606 1074834480 /nfs/dbraw/zinc/83/44/80/1074834480.db2.gz JJQYZTRXMFDPDQ-OAHLLOKOSA-N 1 0 379.461 -1.064 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC001328474034 1074834444 /nfs/dbraw/zinc/83/44/44/1074834444.db2.gz UKXXWDTWWRLIQI-GFCCVEGCSA-N 1 0 377.467 -2.487 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC001328474035 1074834501 /nfs/dbraw/zinc/83/45/01/1074834501.db2.gz UKXXWDTWWRLIQI-LBPRGKRZSA-N 1 0 377.467 -2.487 20 0 GAADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)CCO1 ZINC001328476370 1074834462 /nfs/dbraw/zinc/83/44/62/1074834462.db2.gz OPSPVBXWYIDBRB-CYBMUJFWSA-N 1 0 380.449 -1.175 20 0 GAADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)CCO1 ZINC001328476371 1074834500 /nfs/dbraw/zinc/83/45/00/1074834500.db2.gz OPSPVBXWYIDBRB-ZDUSSCGKSA-N 1 0 380.449 -1.175 20 0 GAADRO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001328476376 1074834482 /nfs/dbraw/zinc/83/44/82/1074834482.db2.gz OQXLRTWMGCHIPA-CYBMUJFWSA-N 1 0 378.433 -1.687 20 0 GAADRO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001328476377 1074834497 /nfs/dbraw/zinc/83/44/97/1074834497.db2.gz OQXLRTWMGCHIPA-ZDUSSCGKSA-N 1 0 378.433 -1.687 20 0 GAADRO Cc1nc(C(=O)NCC(=O)N2CC[NH2+]CC2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001328477690 1074834493 /nfs/dbraw/zinc/83/44/93/1074834493.db2.gz JVUABCOTRDRPGN-UHFFFAOYSA-N 1 0 387.326 -1.126 20 0 GAADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[NH2+]CC3)CC2)o1 ZINC001328489862 1074834787 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/nfs/dbraw/zinc/85/95/82/1074859582.db2.gz BUFDQURZWDMKLG-ZDUSSCGKSA-N 1 0 378.495 -1.389 20 0 GAADRO CCc1nncn1CCNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001328982113 1074859838 /nfs/dbraw/zinc/85/98/38/1074859838.db2.gz SSKYXDPPNPEODO-UHFFFAOYSA-N 1 0 392.464 -1.874 20 0 GAADRO CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001328982696 1074859946 /nfs/dbraw/zinc/85/99/46/1074859946.db2.gz VQUFAHSOKVREPY-AWEZNQCLSA-N 1 0 397.476 -1.139 20 0 GAADRO CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001328982697 1074859960 /nfs/dbraw/zinc/85/99/60/1074859960.db2.gz VQUFAHSOKVREPY-CQSZACIVSA-N 1 0 397.476 -1.139 20 0 GAADRO CC(C)C(=O)NCCCNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001328983002 1074859891 /nfs/dbraw/zinc/85/98/91/1074859891.db2.gz XFZKEYXEZIKVDO-UHFFFAOYSA-N 1 0 396.492 -1.566 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC001328984201 1074860286 /nfs/dbraw/zinc/86/02/86/1074860286.db2.gz OZVFIJIPWLJXJX-GFCCVEGCSA-N 1 0 389.478 -2.631 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC001328984204 1074860297 /nfs/dbraw/zinc/86/02/97/1074860297.db2.gz OZVFIJIPWLJXJX-LBPRGKRZSA-N 1 0 389.478 -2.631 20 0 GAADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)N3CCOCC3)CC1)C2 ZINC001328986109 1074860241 /nfs/dbraw/zinc/86/02/41/1074860241.db2.gz BHLXADNOMXSWNX-KBXCAEBGSA-N 1 0 379.461 -1.077 20 0 GAADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)N3CCOCC3)CC1)C2 ZINC001328986111 1074860256 /nfs/dbraw/zinc/86/02/56/1074860256.db2.gz BHLXADNOMXSWNX-KDOFPFPSSA-N 1 0 379.461 -1.077 20 0 GAADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)N3CCOCC3)CC1)C2 ZINC001328986113 1074860251 /nfs/dbraw/zinc/86/02/51/1074860251.db2.gz BHLXADNOMXSWNX-KSSFIOAISA-N 1 0 379.461 -1.077 20 0 GAADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)N3CCOCC3)CC1)C2 ZINC001328986116 1074860235 /nfs/dbraw/zinc/86/02/35/1074860235.db2.gz BHLXADNOMXSWNX-RDTXWAMCSA-N 1 0 379.461 -1.077 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H]2COCCN2C)CC1 ZINC001328995252 1074860578 /nfs/dbraw/zinc/86/05/78/1074860578.db2.gz HJYZNFUZMQIMFQ-HNNXBMFYSA-N 1 0 383.493 -1.460 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2COCCN2C)CC1 ZINC001328995253 1074860532 /nfs/dbraw/zinc/86/05/32/1074860532.db2.gz HJYZNFUZMQIMFQ-OAHLLOKOSA-N 1 0 383.493 -1.460 20 0 GAADRO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC001328996046 1074860563 /nfs/dbraw/zinc/86/05/63/1074860563.db2.gz KINSCWUWASTAJI-HNNXBMFYSA-N 1 0 381.477 -1.183 20 0 GAADRO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC001328996047 1074860512 /nfs/dbraw/zinc/86/05/12/1074860512.db2.gz KINSCWUWASTAJI-OAHLLOKOSA-N 1 0 381.477 -1.183 20 0 GAADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001329001905 1074861011 /nfs/dbraw/zinc/86/10/11/1074861011.db2.gz DIWFDORPIGSHDR-UHFFFAOYSA-N 1 0 383.449 -2.368 20 0 GAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CCO1 ZINC001329001929 1074861001 /nfs/dbraw/zinc/86/10/01/1074861001.db2.gz DNKNNZDLTMDOAP-AVGNSLFASA-N 1 0 388.432 -1.606 20 0 GAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CCO1 ZINC001329001932 1074860922 /nfs/dbraw/zinc/86/09/22/1074860922.db2.gz DNKNNZDLTMDOAP-RWMBFGLXSA-N 1 0 388.432 -1.606 20 0 GAADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCO1 ZINC001329001936 1074860971 /nfs/dbraw/zinc/86/09/71/1074860971.db2.gz DNKNNZDLTMDOAP-XQQFMLRXSA-N 1 0 388.432 -1.606 20 0 GAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCO1 ZINC001329001939 1074861004 /nfs/dbraw/zinc/86/10/04/1074861004.db2.gz DNKNNZDLTMDOAP-YNEHKIRRSA-N 1 0 388.432 -1.606 20 0 GAADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CCOCC1 ZINC001329002102 1074860976 /nfs/dbraw/zinc/86/09/76/1074860976.db2.gz FWALYRBKLNZSLE-UHFFFAOYSA-N 1 0 383.449 -1.793 20 0 GAADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001329004360 1074860928 /nfs/dbraw/zinc/86/09/28/1074860928.db2.gz PSSRXGYTYAOTBD-UHFFFAOYSA-N 1 0 397.436 -3.173 20 0 GAADRO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001329004417 1074861018 /nfs/dbraw/zinc/86/10/18/1074861018.db2.gz RQOHNHSZTZLSEM-AWEZNQCLSA-N 1 0 391.472 -1.320 20 0 GAADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001329004418 1074860832 /nfs/dbraw/zinc/86/08/32/1074860832.db2.gz RQOHNHSZTZLSEM-CQSZACIVSA-N 1 0 391.472 -1.320 20 0 GAADRO COCCCN(C(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001329005257 1074860963 /nfs/dbraw/zinc/86/09/63/1074860963.db2.gz WEMNPYAUDCPHEL-CYBMUJFWSA-N 1 0 391.490 -1.337 20 0 GAADRO COCCCN(C(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001329005260 1074860981 /nfs/dbraw/zinc/86/09/81/1074860981.db2.gz WEMNPYAUDCPHEL-ZDUSSCGKSA-N 1 0 391.490 -1.337 20 0 GAADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001329005685 1074860988 /nfs/dbraw/zinc/86/09/88/1074860988.db2.gz ZUTUALZSAYKAKN-UHFFFAOYSA-N 1 0 397.432 -2.842 20 0 GAADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001329011948 1074860941 /nfs/dbraw/zinc/86/09/41/1074860941.db2.gz LDHGPKCAGDEVIS-UHFFFAOYSA-N 1 0 383.493 -1.554 20 0 GAADRO COC(=O)C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001329013457 1074860898 /nfs/dbraw/zinc/86/08/98/1074860898.db2.gz TYTYMQFNBKFKMW-AWEZNQCLSA-N 1 0 384.477 -1.081 20 0 GAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001329013459 1074860880 /nfs/dbraw/zinc/86/08/80/1074860880.db2.gz TYTYMQFNBKFKMW-CQSZACIVSA-N 1 0 384.477 -1.081 20 0 GAADRO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001329013568 1074861167 /nfs/dbraw/zinc/86/11/67/1074861167.db2.gz HTWNNKFLICPQOG-CYBMUJFWSA-N 1 0 399.473 -1.007 20 0 GAADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001329014378 1074861312 /nfs/dbraw/zinc/86/13/12/1074861312.db2.gz ODXOIDGETMXGCB-GFCCVEGCSA-N 1 0 395.416 -3.089 20 0 GAADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001329014382 1074861281 /nfs/dbraw/zinc/86/12/81/1074861281.db2.gz ODXOIDGETMXGCB-LBPRGKRZSA-N 1 0 395.416 -3.089 20 0 GAADRO O=C(C(=O)N1CCN(C(=O)N2CCOCC2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001329023118 1074861320 /nfs/dbraw/zinc/86/13/20/1074861320.db2.gz HDXDZUSVNQCGHS-GOSISDBHSA-N 1 0 379.461 -1.205 20 0 GAADRO O=C(C(=O)N1CCN(C(=O)N2CCOCC2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001329023119 1074861623 /nfs/dbraw/zinc/86/16/23/1074861623.db2.gz HDXDZUSVNQCGHS-SFHVURJKSA-N 1 0 379.461 -1.205 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001329029262 1074861721 /nfs/dbraw/zinc/86/17/21/1074861721.db2.gz ABQWXZIPOZEICP-AWEZNQCLSA-N 1 0 393.488 -1.075 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001329029263 1074861731 /nfs/dbraw/zinc/86/17/31/1074861731.db2.gz ABQWXZIPOZEICP-CQSZACIVSA-N 1 0 393.488 -1.075 20 0 GAADRO COCCn1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1=O ZINC001329030214 1074861671 /nfs/dbraw/zinc/86/16/71/1074861671.db2.gz CQSSUNIDZBHVEQ-AWEZNQCLSA-N 1 0 393.444 -1.111 20 0 GAADRO O=C(NCCS(=O)(=O)CC1CC1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001329032756 1074861630 /nfs/dbraw/zinc/86/16/30/1074861630.db2.gz HEPDKOITQAVDMH-HNNXBMFYSA-N 1 0 387.502 -1.015 20 0 GAADRO O=C(NCCS(=O)(=O)CC1CC1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001329032759 1074861923 /nfs/dbraw/zinc/86/19/23/1074861923.db2.gz HEPDKOITQAVDMH-OAHLLOKOSA-N 1 0 387.502 -1.015 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC001329034488 1074861938 /nfs/dbraw/zinc/86/19/38/1074861938.db2.gz BRVLJWBDJOXCHE-HNNXBMFYSA-N 1 0 380.493 -1.162 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC001329034489 1074861946 /nfs/dbraw/zinc/86/19/46/1074861946.db2.gz BRVLJWBDJOXCHE-OAHLLOKOSA-N 1 0 380.493 -1.162 20 0 GAADRO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001329036517 1074861918 /nfs/dbraw/zinc/86/19/18/1074861918.db2.gz MQBVRTAAOHXDBG-CABCVRRESA-N 1 0 379.461 -1.064 20 0 GAADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)O1 ZINC001329043768 1074862395 /nfs/dbraw/zinc/86/23/95/1074862395.db2.gz DBDZIHGEZSYMLX-JYJNAYRXSA-N 1 0 396.488 -1.204 20 0 GAADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)O1 ZINC001329043769 1074862364 /nfs/dbraw/zinc/86/23/64/1074862364.db2.gz DBDZIHGEZSYMLX-OAGGEKHMSA-N 1 0 396.488 -1.204 20 0 GAADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)O1 ZINC001329043770 1074862285 /nfs/dbraw/zinc/86/22/85/1074862285.db2.gz DBDZIHGEZSYMLX-PMPSAXMXSA-N 1 0 396.488 -1.204 20 0 GAADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)O1 ZINC001329043771 1074862385 /nfs/dbraw/zinc/86/23/85/1074862385.db2.gz DBDZIHGEZSYMLX-XHSDSOJGSA-N 1 0 396.488 -1.204 20 0 GAADRO 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O=C(NC[C@@]12COCCN1C(=O)COC2)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001329363965 1074877180 /nfs/dbraw/zinc/87/71/80/1074877180.db2.gz AERVGEXXZGAIRH-BEFAXECRSA-N 1 0 394.472 -1.325 20 0 GAADRO O=C(NC[C@]12COCCN1C(=O)COC2)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001329363966 1074877195 /nfs/dbraw/zinc/87/71/95/1074877195.db2.gz AERVGEXXZGAIRH-DNVCBOLYSA-N 1 0 394.472 -1.325 20 0 GAADRO O=C(NC[C@]12COCCN1C(=O)COC2)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001329363967 1074877200 /nfs/dbraw/zinc/87/72/00/1074877200.db2.gz AERVGEXXZGAIRH-HNAYVOBHSA-N 1 0 394.472 -1.325 20 0 GAADRO O=C(NC[C@@]12COCCN1C(=O)COC2)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001329363968 1074877247 /nfs/dbraw/zinc/87/72/47/1074877247.db2.gz AERVGEXXZGAIRH-KXBFYZLASA-N 1 0 394.472 -1.325 20 0 GAADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001329364463 1074877512 /nfs/dbraw/zinc/87/75/12/1074877512.db2.gz DQHCRKPXANPUKH-GLJUWKHASA-N 1 0 382.461 -1.471 20 0 GAADRO 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CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC001329382178 1074878168 /nfs/dbraw/zinc/87/81/68/1074878168.db2.gz IRNHXEHTNXUHNZ-ZDUSSCGKSA-N 1 0 375.495 -1.463 20 0 GAADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)NCCOCC[NH+](C)C)C1=O ZINC001329382219 1074878200 /nfs/dbraw/zinc/87/82/00/1074878200.db2.gz LRGSQILZGCIPQW-PXAZEXFGSA-N 1 0 383.449 -1.483 20 0 GAADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)NCCOCC[NH+](C)C)C1=O ZINC001329382223 1074878165 /nfs/dbraw/zinc/87/81/65/1074878165.db2.gz LRGSQILZGCIPQW-SJCJKPOMSA-N 1 0 383.449 -1.483 20 0 GAADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)NCCOCC[NH+](C)C)C1=O ZINC001329382226 1074878182 /nfs/dbraw/zinc/87/81/82/1074878182.db2.gz LRGSQILZGCIPQW-SJKOYZFVSA-N 1 0 383.449 -1.483 20 0 GAADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)NCCOCC[NH+](C)C)C1=O ZINC001329382230 1074878195 /nfs/dbraw/zinc/87/81/95/1074878195.db2.gz LRGSQILZGCIPQW-YVEFUNNKSA-N 1 0 383.449 -1.483 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC001329386155 1074878346 /nfs/dbraw/zinc/87/83/46/1074878346.db2.gz JUVDNHBBLIEFNA-UHFFFAOYSA-N 1 0 375.495 -1.509 20 0 GAADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001329387291 1074878447 /nfs/dbraw/zinc/87/84/47/1074878447.db2.gz XEUNSUNQAPJXLQ-UHFFFAOYSA-N 1 0 389.522 -1.120 20 0 GAADRO CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001329387528 1074878414 /nfs/dbraw/zinc/87/84/14/1074878414.db2.gz XWCWMYVLIKFCOE-UHFFFAOYSA-N 1 0 375.495 -1.509 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001329393969 1074878811 /nfs/dbraw/zinc/87/88/11/1074878811.db2.gz OHDFNDOBNSBBGH-AWEZNQCLSA-N 1 0 382.552 -1.175 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001329393970 1074878819 /nfs/dbraw/zinc/87/88/19/1074878819.db2.gz OHDFNDOBNSBBGH-CQSZACIVSA-N 1 0 382.552 -1.175 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC001329400137 1074878843 /nfs/dbraw/zinc/87/88/43/1074878843.db2.gz JIELHOZSNKYLHZ-CYBMUJFWSA-N 1 0 375.495 -1.510 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001329400138 1074878779 /nfs/dbraw/zinc/87/87/79/1074878779.db2.gz JIELHOZSNKYLHZ-ZDUSSCGKSA-N 1 0 375.495 -1.510 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=S)NCCNS(C)(=O)=O)cn1 ZINC001329400652 1074878840 /nfs/dbraw/zinc/87/88/40/1074878840.db2.gz WWWSOKCXDMHIIG-UHFFFAOYSA-N 1 0 391.523 -1.604 20 0 GAADRO O=C(NC[C@@]12COCCN1C(=O)COC2)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001329405641 1074879191 /nfs/dbraw/zinc/87/91/91/1074879191.db2.gz WSMXUHDWPGLLSV-IBGZPJMESA-N 1 0 394.472 -1.183 20 0 GAADRO O=C(NC[C@]12COCCN1C(=O)COC2)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001329405642 1074879041 /nfs/dbraw/zinc/87/90/41/1074879041.db2.gz WSMXUHDWPGLLSV-LJQANCHMSA-N 1 0 394.472 -1.183 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC001329405744 1074879100 /nfs/dbraw/zinc/87/91/00/1074879100.db2.gz ATIBSOFJJXZABR-KBPBESRZSA-N 1 0 387.506 -1.510 20 0 GAADRO 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/nfs/dbraw/zinc/89/66/58/1074896658.db2.gz HNWKUAXHXRKBCE-CLCXKQKWSA-N 1 0 394.472 -1.327 20 0 GAADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC001329829668 1074896788 /nfs/dbraw/zinc/89/67/88/1074896788.db2.gz HNWKUAXHXRKBCE-KHYOSLBOSA-N 1 0 394.472 -1.327 20 0 GAADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC001329829669 1074896806 /nfs/dbraw/zinc/89/68/06/1074896806.db2.gz HNWKUAXHXRKBCE-QMTMVMCOSA-N 1 0 394.472 -1.327 20 0 GAADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC001329829670 1074896688 /nfs/dbraw/zinc/89/66/88/1074896688.db2.gz HNWKUAXHXRKBCE-SPYBWZPUSA-N 1 0 394.472 -1.327 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC001329830135 1074896761 /nfs/dbraw/zinc/89/67/61/1074896761.db2.gz BRVXMEPAIPEFFC-CYBMUJFWSA-N 1 0 391.494 -2.097 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC001329830138 1074896695 /nfs/dbraw/zinc/89/66/95/1074896695.db2.gz BRVXMEPAIPEFFC-ZDUSSCGKSA-N 1 0 391.494 -2.097 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC001329830506 1074896711 /nfs/dbraw/zinc/89/67/11/1074896711.db2.gz DKKVMSLXADDLOQ-UHFFFAOYSA-N 1 0 377.511 -1.087 20 0 GAADRO O=C(CNC(=O)C(=O)NCCN1C[C@H]2CCCCN2C1=O)N1CC[NH2+]CC1 ZINC001329837853 1074897144 /nfs/dbraw/zinc/89/71/44/1074897144.db2.gz MFDGLSVWIRNHIT-CYBMUJFWSA-N 1 0 380.449 -2.059 20 0 GAADRO O=C(CNC(=O)C(=O)NCCN1C[C@@H]2CCCCN2C1=O)N1CC[NH2+]CC1 ZINC001329837854 1074897229 /nfs/dbraw/zinc/89/72/29/1074897229.db2.gz MFDGLSVWIRNHIT-ZDUSSCGKSA-N 1 0 380.449 -2.059 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC001329838982 1074897412 /nfs/dbraw/zinc/89/74/12/1074897412.db2.gz XPIVLBAZMLUBGW-UHFFFAOYSA-N 1 0 397.520 -1.068 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)C[C@H]1C[NH3+] ZINC001329841366 1074897449 /nfs/dbraw/zinc/89/74/49/1074897449.db2.gz DOXOGVHQUSTGOZ-NXEZZACHSA-N 1 0 389.396 -1.098 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)CC1=O ZINC001329843431 1074897419 /nfs/dbraw/zinc/89/74/19/1074897419.db2.gz WXTNHTYDSSXGDR-CYBMUJFWSA-N 1 0 388.490 -1.698 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1=O ZINC001329843432 1074897376 /nfs/dbraw/zinc/89/73/76/1074897376.db2.gz WXTNHTYDSSXGDR-ZDUSSCGKSA-N 1 0 388.490 -1.698 20 0 GAADRO CCON(C)C(=O)CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001329851730 1074898381 /nfs/dbraw/zinc/89/83/81/1074898381.db2.gz LXAXWDGXYNAVAM-UHFFFAOYSA-N 1 0 399.492 -1.575 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCC(=O)N(C)CC2)CC1 ZINC001329856726 1074899239 /nfs/dbraw/zinc/89/92/39/1074899239.db2.gz PICWFDOSFBCCQH-UHFFFAOYSA-N 1 0 381.477 -1.216 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)O)C2)CC1 ZINC001329857419 1074899270 /nfs/dbraw/zinc/89/92/70/1074899270.db2.gz VGYZZCGDTJXTTP-DZGCQCFKSA-N 1 0 384.477 -1.299 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)O)C2)CC1 ZINC001329857420 1074899251 /nfs/dbraw/zinc/89/92/51/1074899251.db2.gz VGYZZCGDTJXTTP-HIFRSBDPSA-N 1 0 384.477 -1.299 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)O)C2)CC1 ZINC001329857421 1074899306 /nfs/dbraw/zinc/89/93/06/1074899306.db2.gz VGYZZCGDTJXTTP-UKRRQHHQSA-N 1 0 384.477 -1.299 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H]([C@H](C)O)C2)CC1 ZINC001329857422 1074899300 /nfs/dbraw/zinc/89/93/00/1074899300.db2.gz VGYZZCGDTJXTTP-ZFWWWQNUSA-N 1 0 384.477 -1.299 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC001329863471 1074899677 /nfs/dbraw/zinc/89/96/77/1074899677.db2.gz VMXHJVOBYLSPJB-CHWSQXEVSA-N 1 0 388.490 -1.794 20 0 GAADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC001329863473 1074899715 /nfs/dbraw/zinc/89/97/15/1074899715.db2.gz VMXHJVOBYLSPJB-OLZOCXBDSA-N 1 0 388.490 -1.794 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC001329863475 1074899645 /nfs/dbraw/zinc/89/96/45/1074899645.db2.gz VMXHJVOBYLSPJB-QWHCGFSZSA-N 1 0 388.490 -1.794 20 0 GAADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC001329863477 1074899691 /nfs/dbraw/zinc/89/96/91/1074899691.db2.gz VMXHJVOBYLSPJB-STQMWFEESA-N 1 0 388.490 -1.794 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001329865431 1074900028 /nfs/dbraw/zinc/90/00/28/1074900028.db2.gz BQJRSBKIAVLTDD-UHFFFAOYSA-N 1 0 389.522 -1.072 20 0 GAADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1nnc2n1CCOC2 ZINC001329869413 1074900048 /nfs/dbraw/zinc/90/00/48/1074900048.db2.gz TXAZXLUWNCUJEP-CYBMUJFWSA-N 1 0 380.449 -1.006 20 0 GAADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1nnc2n1CCOC2 ZINC001329869672 1074900124 /nfs/dbraw/zinc/90/01/24/1074900124.db2.gz TXAZXLUWNCUJEP-ZDUSSCGKSA-N 1 0 380.449 -1.006 20 0 GAADRO COC(=O)[C@@]1(N2CCN(C(=O)C(=O)N(C)CC3C[NH+](C)C3)CC2)CCOC1 ZINC001329872171 1074899988 /nfs/dbraw/zinc/89/99/88/1074899988.db2.gz KEHXDGFQSQPACL-GOSISDBHSA-N 1 0 382.461 -1.517 20 0 GAADRO COC(=O)[C@]1(N2CCN(C(=O)C(=O)N(C)CC3C[NH+](C)C3)CC2)CCOC1 ZINC001329872172 1074900108 /nfs/dbraw/zinc/90/01/08/1074900108.db2.gz KEHXDGFQSQPACL-SFHVURJKSA-N 1 0 382.461 -1.517 20 0 GAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCO[C@H](CCC[NH+](C)C)C3)C[C@H]2C1=O ZINC001329880160 1074900669 /nfs/dbraw/zinc/90/06/69/1074900669.db2.gz DTBVPWUFWYUUMN-MCIONIFRSA-N 1 0 380.445 -1.371 20 0 GAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)C[C@H]2C1=O ZINC001329880161 1074900619 /nfs/dbraw/zinc/90/06/19/1074900619.db2.gz DTBVPWUFWYUUMN-MELADBBJSA-N 1 0 380.445 -1.371 20 0 GAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCC(C)([NH+]4CCOCC4)CC3)C[C@H]2C1=O ZINC001329882672 1074900681 /nfs/dbraw/zinc/90/06/81/1074900681.db2.gz UEDNWAFANFNNAF-OKILXGFUSA-N 1 0 392.456 -1.227 20 0 GAADRO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001329890940 1074901029 /nfs/dbraw/zinc/90/10/29/1074901029.db2.gz DGJDTFMOEKHRHS-INIZCTEOSA-N 1 0 395.504 -1.016 20 0 GAADRO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001329890941 1074900967 /nfs/dbraw/zinc/90/09/67/1074900967.db2.gz DGJDTFMOEKHRHS-MRXNPFEDSA-N 1 0 395.504 -1.016 20 0 GAADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001329892655 1074900925 /nfs/dbraw/zinc/90/09/25/1074900925.db2.gz LIOGQTLKDMVSNR-AWEZNQCLSA-N 1 0 379.461 -1.064 20 0 GAADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001329892657 1074900958 /nfs/dbraw/zinc/90/09/58/1074900958.db2.gz LIOGQTLKDMVSNR-CQSZACIVSA-N 1 0 379.461 -1.064 20 0 GAADRO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001329894810 1074901320 /nfs/dbraw/zinc/90/13/20/1074901320.db2.gz ZBIJSHUQCKGJIQ-GASCZTMLSA-N 1 0 381.477 -1.360 20 0 GAADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001329900749 1074901515 /nfs/dbraw/zinc/90/15/15/1074901515.db2.gz NXYOYLSHIQEMTB-UONOGXRCSA-N 1 0 388.428 -1.766 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCn2cncn2)CC1 ZINC001329911396 1074901949 /nfs/dbraw/zinc/90/19/49/1074901949.db2.gz JAPRGVSQARPNQH-UHFFFAOYSA-N 1 0 379.465 -1.203 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001329914829 1074901946 /nfs/dbraw/zinc/90/19/46/1074901946.db2.gz OQQGMEALLJOZBQ-CHWSQXEVSA-N 1 0 377.511 -1.266 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001329914830 1074901916 /nfs/dbraw/zinc/90/19/16/1074901916.db2.gz OQQGMEALLJOZBQ-OLZOCXBDSA-N 1 0 377.511 -1.266 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001329914831 1074901889 /nfs/dbraw/zinc/90/18/89/1074901889.db2.gz OQQGMEALLJOZBQ-QWHCGFSZSA-N 1 0 377.511 -1.266 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001329914832 1074901952 /nfs/dbraw/zinc/90/19/52/1074901952.db2.gz OQQGMEALLJOZBQ-STQMWFEESA-N 1 0 377.511 -1.266 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001329914842 1074901895 /nfs/dbraw/zinc/90/18/95/1074901895.db2.gz OXFVQRGXVUDQLD-KBPBESRZSA-N 1 0 389.522 -1.122 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001329914843 1074901933 /nfs/dbraw/zinc/90/19/33/1074901933.db2.gz OXFVQRGXVUDQLD-KGLIPLIRSA-N 1 0 389.522 -1.122 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001329914844 1074901927 /nfs/dbraw/zinc/90/19/27/1074901927.db2.gz OXFVQRGXVUDQLD-UONOGXRCSA-N 1 0 389.522 -1.122 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001329914845 1074901902 /nfs/dbraw/zinc/90/19/02/1074901902.db2.gz OXFVQRGXVUDQLD-ZIAGYGMSSA-N 1 0 389.522 -1.122 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCCn1cncn1 ZINC001329914898 1074901907 /nfs/dbraw/zinc/90/19/07/1074901907.db2.gz YIEGQLCFTWMWSF-AWEZNQCLSA-N 1 0 379.465 -1.157 20 0 GAADRO 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/nfs/dbraw/zinc/90/89/25/1074908925.db2.gz VOENQCUFSNWONB-CQSZACIVSA-N 1 0 392.508 -1.084 20 0 GAADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC1 ZINC001330142938 1074909165 /nfs/dbraw/zinc/90/91/65/1074909165.db2.gz GTBMIWHLBTVIKV-UHFFFAOYSA-N 1 0 382.461 -1.325 20 0 GAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001330152182 1074909512 /nfs/dbraw/zinc/90/95/12/1074909512.db2.gz PTQNBTFFSPHYOG-UHFFFAOYSA-N 1 0 393.510 -2.026 20 0 GAADRO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001330175519 1074909709 /nfs/dbraw/zinc/90/97/09/1074909709.db2.gz KCGLRICLOWUNMK-GOSISDBHSA-N 1 0 384.477 -1.081 20 0 GAADRO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001330175520 1074909725 /nfs/dbraw/zinc/90/97/25/1074909725.db2.gz KCGLRICLOWUNMK-SFHVURJKSA-N 1 0 384.477 -1.081 20 0 GAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@H]2C1=O ZINC001330179557 1074910307 /nfs/dbraw/zinc/91/03/07/1074910307.db2.gz YDPQSDWOXVVZCM-BETUJISGSA-N 1 0 379.461 -1.798 20 0 GAADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001330188751 1074910438 /nfs/dbraw/zinc/91/04/38/1074910438.db2.gz PCUHGBBRWYMHNM-UHFFFAOYSA-N 1 0 377.511 -1.215 20 0 GAADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001330192070 1074910911 /nfs/dbraw/zinc/91/09/11/1074910911.db2.gz SDLGVHCYJOYKMN-AWEZNQCLSA-N 1 0 389.522 -1.072 20 0 GAADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001330192073 1074910792 /nfs/dbraw/zinc/91/07/92/1074910792.db2.gz SDLGVHCYJOYKMN-CQSZACIVSA-N 1 0 389.522 -1.072 20 0 GAADRO C[C@@H]1[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCS1(=O)=O ZINC001330195097 1074910954 /nfs/dbraw/zinc/91/09/54/1074910954.db2.gz BGCZCCRNVNUIGI-UMVBOHGHSA-N 1 0 386.518 -1.037 20 0 GAADRO C[C@@H]1[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCS1(=O)=O ZINC001330195100 1074910928 /nfs/dbraw/zinc/91/09/28/1074910928.db2.gz BGCZCCRNVNUIGI-VNHYZAJKSA-N 1 0 386.518 -1.037 20 0 GAADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(CO)(CO)CC3)C2)CC1 ZINC001330195462 1074910862 /nfs/dbraw/zinc/91/08/62/1074910862.db2.gz DIQHNVHJDCTBIC-HNNXBMFYSA-N 1 0 382.505 -1.136 20 0 GAADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(CO)(CO)CC3)C2)CC1 ZINC001330195463 1074910831 /nfs/dbraw/zinc/91/08/31/1074910831.db2.gz DIQHNVHJDCTBIC-OAHLLOKOSA-N 1 0 382.505 -1.136 20 0 GAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC001330198445 1074910936 /nfs/dbraw/zinc/91/09/36/1074910936.db2.gz JOELNXXYANWAHN-BBBLOLIVSA-N 1 0 386.396 -1.139 20 0 GAADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC001330198447 1074910961 /nfs/dbraw/zinc/91/09/61/1074910961.db2.gz JOELNXXYANWAHN-KXUCPTDWSA-N 1 0 386.396 -1.139 20 0 GAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC001330198449 1074911143 /nfs/dbraw/zinc/91/11/43/1074911143.db2.gz JOELNXXYANWAHN-OPRDCNLKSA-N 1 0 386.396 -1.139 20 0 GAADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC001330198451 1074911177 /nfs/dbraw/zinc/91/11/77/1074911177.db2.gz JOELNXXYANWAHN-UTLUCORTSA-N 1 0 386.396 -1.139 20 0 GAADRO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001330199098 1074911088 /nfs/dbraw/zinc/91/10/88/1074911088.db2.gz QMXKVZMYUJXYHK-BNOWGMLFSA-N 1 0 393.444 -1.541 20 0 GAADRO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001330199099 1074911149 /nfs/dbraw/zinc/91/11/49/1074911149.db2.gz QMXKVZMYUJXYHK-YUTCNCBUSA-N 1 0 393.444 -1.541 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@@H](C)O1 ZINC001330199976 1074911128 /nfs/dbraw/zinc/91/11/28/1074911128.db2.gz CTBNGDJUNIYKOK-MCIONIFRSA-N 1 0 398.460 -1.379 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@@H](C)O1 ZINC001330199977 1074911155 /nfs/dbraw/zinc/91/11/55/1074911155.db2.gz CTBNGDJUNIYKOK-RDBSUJKOSA-N 1 0 398.460 -1.379 20 0 GAADRO O=C(C(=O)N1CC[C@@H]2OCC[C@@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001330200093 1074911116 /nfs/dbraw/zinc/91/11/16/1074911116.db2.gz GGYSWBAIJVGKFG-CABCVRRESA-N 1 0 379.461 -1.207 20 0 GAADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CC1 ZINC001330200302 1074911185 /nfs/dbraw/zinc/91/11/85/1074911185.db2.gz JKBSNLSDCVNYNR-UHFFFAOYSA-N 1 0 381.477 -1.359 20 0 GAADRO COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC001330200337 1074911167 /nfs/dbraw/zinc/91/11/67/1074911167.db2.gz JUCGGJBZUQVOQV-OKILXGFUSA-N 1 0 395.460 -1.434 20 0 GAADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC001330200342 1074911192 /nfs/dbraw/zinc/91/11/92/1074911192.db2.gz JUWCZOHSAYTOII-CYBMUJFWSA-N 1 0 378.495 -1.531 20 0 GAADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC001330200343 1074911069 /nfs/dbraw/zinc/91/10/69/1074911069.db2.gz JUWCZOHSAYTOII-ZDUSSCGKSA-N 1 0 378.495 -1.531 20 0 GAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CC[C@@H]1[NH3+] ZINC001330200501 1074911160 /nfs/dbraw/zinc/91/11/60/1074911160.db2.gz NSSFBUWJERLTDU-CABCVRRESA-N 1 0 381.477 -1.231 20 0 GAADRO CC[C@H]1CN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CC[C@@H]1[NH3+] ZINC001330200502 1074911198 /nfs/dbraw/zinc/91/11/98/1074911198.db2.gz NSSFBUWJERLTDU-GJZGRUSLSA-N 1 0 381.477 -1.231 20 0 GAADRO CC[C@@H]1CN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CC[C@H]1[NH3+] ZINC001330200503 1074911097 /nfs/dbraw/zinc/91/10/97/1074911097.db2.gz NSSFBUWJERLTDU-HUUCEWRRSA-N 1 0 381.477 -1.231 20 0 GAADRO CC[C@H]1CN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CC[C@H]1[NH3+] ZINC001330200504 1074911074 /nfs/dbraw/zinc/91/10/74/1074911074.db2.gz NSSFBUWJERLTDU-LSDHHAIUSA-N 1 0 381.477 -1.231 20 0 GAADRO O=C(C(=O)N1CCC[C@@H](CCO)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001330200888 1074911105 /nfs/dbraw/zinc/91/11/05/1074911105.db2.gz PRVSHWBZKQAARK-HNNXBMFYSA-N 1 0 381.477 -1.223 20 0 GAADRO O=C(C(=O)N1CCC[C@H](CCO)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001330200889 1074911079 /nfs/dbraw/zinc/91/10/79/1074911079.db2.gz PRVSHWBZKQAARK-OAHLLOKOSA-N 1 0 381.477 -1.223 20 0 GAADRO CC1(CO)CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC001330200912 1074911213 /nfs/dbraw/zinc/91/12/13/1074911213.db2.gz QOJWBIQLUHBWCA-UHFFFAOYSA-N 1 0 381.477 -1.223 20 0 GAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001330200913 1074911061 /nfs/dbraw/zinc/91/10/61/1074911061.db2.gz QOLFPWYWARMEIK-UHFFFAOYSA-N 1 0 390.506 -1.163 20 0 GAADRO O=C(C(=O)N1CCN(S(=O)(=O)C2CC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001330201145 1074911443 /nfs/dbraw/zinc/91/14/43/1074911443.db2.gz RRDYDSDNIOHGKT-AWEZNQCLSA-N 1 0 399.517 -1.871 20 0 GAADRO O=C(C(=O)N1CCN(S(=O)(=O)C2CC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001330201152 1074911484 /nfs/dbraw/zinc/91/14/84/1074911484.db2.gz RRDYDSDNIOHGKT-CQSZACIVSA-N 1 0 399.517 -1.871 20 0 GAADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)C1 ZINC001330201157 1074911555 /nfs/dbraw/zinc/91/15/55/1074911555.db2.gz RVPIDGDITKJAIV-HNNXBMFYSA-N 1 0 381.477 -1.359 20 0 GAADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)C1 ZINC001330201159 1074911524 /nfs/dbraw/zinc/91/15/24/1074911524.db2.gz RVPIDGDITKJAIV-OAHLLOKOSA-N 1 0 381.477 -1.359 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC001330201568 1074911547 /nfs/dbraw/zinc/91/15/47/1074911547.db2.gz VCELSIDQJSGSKO-AWEZNQCLSA-N 1 0 381.477 -1.362 20 0 GAADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC001330201569 1074911451 /nfs/dbraw/zinc/91/14/51/1074911451.db2.gz VCELSIDQJSGSKO-CQSZACIVSA-N 1 0 381.477 -1.362 20 0 GAADRO CN(CCOCCO)C(=O)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001330202651 1074911430 /nfs/dbraw/zinc/91/14/30/1074911430.db2.gz ZLNHKMAEJAOYQA-KGLIPLIRSA-N 1 0 384.433 -1.763 20 0 GAADRO CN(C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001330212691 1074911529 /nfs/dbraw/zinc/91/15/29/1074911529.db2.gz CLJIPPOUYDHCHN-MCIONIFRSA-N 1 0 379.461 -1.621 20 0 GAADRO CN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001330212695 1074911536 /nfs/dbraw/zinc/91/15/36/1074911536.db2.gz CLJIPPOUYDHCHN-MELADBBJSA-N 1 0 379.461 -1.621 20 0 GAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC001330213649 1074911545 /nfs/dbraw/zinc/91/15/45/1074911545.db2.gz GUMUOLSTCQPQRU-CYBMUJFWSA-N 1 0 390.506 -1.260 20 0 GAADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC001330213653 1074911508 /nfs/dbraw/zinc/91/15/08/1074911508.db2.gz GUMUOLSTCQPQRU-ZDUSSCGKSA-N 1 0 390.506 -1.260 20 0 GAADRO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC001330215722 1074911716 /nfs/dbraw/zinc/91/17/16/1074911716.db2.gz UEYNHQFHFAPSAX-LLVKDONJSA-N 1 0 377.463 -1.239 20 0 GAADRO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC001330215723 1074911634 /nfs/dbraw/zinc/91/16/34/1074911634.db2.gz UEYNHQFHFAPSAX-NSHDSACASA-N 1 0 377.463 -1.239 20 0 GAADRO CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001330216018 1074911681 /nfs/dbraw/zinc/91/16/81/1074911681.db2.gz WVLQYFRLQYXYST-CABCVRRESA-N 1 0 381.477 -1.183 20 0 GAADRO CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001330216019 1074911730 /nfs/dbraw/zinc/91/17/30/1074911730.db2.gz WVLQYFRLQYXYST-GJZGRUSLSA-N 1 0 381.477 -1.183 20 0 GAADRO CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001330216020 1074911613 /nfs/dbraw/zinc/91/16/13/1074911613.db2.gz WVLQYFRLQYXYST-HUUCEWRRSA-N 1 0 381.477 -1.183 20 0 GAADRO CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001330216021 1074911705 /nfs/dbraw/zinc/91/17/05/1074911705.db2.gz WVLQYFRLQYXYST-LSDHHAIUSA-N 1 0 381.477 -1.183 20 0 GAADRO CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cn1ncn2nccc2c1=O ZINC001330227748 1074911660 /nfs/dbraw/zinc/91/16/60/1074911660.db2.gz VITVYOKYXURJBU-KRWDZBQOSA-N 1 0 376.417 -1.377 20 0 GAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001330254510 1074912220 /nfs/dbraw/zinc/91/22/20/1074912220.db2.gz UMBGNWCTLUZSOE-KBPBESRZSA-N 1 0 392.522 -1.143 20 0 GAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001330254512 1074912227 /nfs/dbraw/zinc/91/22/27/1074912227.db2.gz UMBGNWCTLUZSOE-KGLIPLIRSA-N 1 0 392.522 -1.143 20 0 GAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001330254514 1074912253 /nfs/dbraw/zinc/91/22/53/1074912253.db2.gz UMBGNWCTLUZSOE-UONOGXRCSA-N 1 0 392.522 -1.143 20 0 GAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001330254516 1074912274 /nfs/dbraw/zinc/91/22/74/1074912274.db2.gz UMBGNWCTLUZSOE-ZIAGYGMSSA-N 1 0 392.522 -1.143 20 0 GAADRO CS(=O)(=O)NCCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001330322405 1074912807 /nfs/dbraw/zinc/91/28/07/1074912807.db2.gz WWXNRGALRKKYKT-UHFFFAOYSA-N 1 0 390.506 -1.341 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C(N)=O ZINC001330337997 1074913112 /nfs/dbraw/zinc/91/31/12/1074913112.db2.gz NSZRJUZEWYWAKS-HNNXBMFYSA-N 1 0 391.476 -1.125 20 0 GAADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC001330353072 1074913375 /nfs/dbraw/zinc/91/33/75/1074913375.db2.gz GGFPAWAUXMUFJF-KDURUIRLSA-N 1 0 384.521 -1.032 20 0 GAADRO C[NH+]1CCC(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001330359745 1074913690 /nfs/dbraw/zinc/91/36/90/1074913690.db2.gz KOSGMCCIIXETJS-HNNXBMFYSA-N 1 0 386.518 -1.224 20 0 GAADRO C[NH+]1CCC(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001330359747 1074913677 /nfs/dbraw/zinc/91/36/77/1074913677.db2.gz KOSGMCCIIXETJS-OAHLLOKOSA-N 1 0 386.518 -1.224 20 0 GAADRO COC[C@H](CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001330373779 1074914047 /nfs/dbraw/zinc/91/40/47/1074914047.db2.gz OBDHUBYTMQUQJK-HNNXBMFYSA-N 1 0 384.477 -1.079 20 0 GAADRO COC[C@@H](CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001330373780 1074914038 /nfs/dbraw/zinc/91/40/38/1074914038.db2.gz OBDHUBYTMQUQJK-OAHLLOKOSA-N 1 0 384.477 -1.079 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC1 ZINC001330374486 1074913995 /nfs/dbraw/zinc/91/39/95/1074913995.db2.gz QQYHGYQJJVBPEQ-UHFFFAOYSA-N 1 0 379.465 -1.214 20 0 GAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC001330381074 1074913970 /nfs/dbraw/zinc/91/39/70/1074913970.db2.gz DFCUXJFQYQYERV-UHFFFAOYSA-N 1 0 395.464 -1.612 20 0 GAADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001330395813 1074914666 /nfs/dbraw/zinc/91/46/66/1074914666.db2.gz DIIJAEFHLATSQB-KBXCAEBGSA-N 1 0 382.461 -1.469 20 0 GAADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001330395814 1074914638 /nfs/dbraw/zinc/91/46/38/1074914638.db2.gz DIIJAEFHLATSQB-KDOFPFPSSA-N 1 0 382.461 -1.469 20 0 GAADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001330395815 1074914605 /nfs/dbraw/zinc/91/46/05/1074914605.db2.gz DIIJAEFHLATSQB-KSSFIOAISA-N 1 0 382.461 -1.469 20 0 GAADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001330395816 1074914704 /nfs/dbraw/zinc/91/47/04/1074914704.db2.gz DIIJAEFHLATSQB-RDTXWAMCSA-N 1 0 382.461 -1.469 20 0 GAADRO COc1ccc(CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC001330403333 1074914627 /nfs/dbraw/zinc/91/46/27/1074914627.db2.gz SNMAZZCXUOZKQK-UHFFFAOYSA-N 1 0 377.445 -1.019 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCN1S(C)(=O)=O ZINC001330410540 1074914842 /nfs/dbraw/zinc/91/48/42/1074914842.db2.gz DPKDZYFHQVWEKJ-HZSPNIEDSA-N 1 0 388.490 -1.542 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCN1S(C)(=O)=O ZINC001330410542 1074914873 /nfs/dbraw/zinc/91/48/73/1074914873.db2.gz DPKDZYFHQVWEKJ-MCIONIFRSA-N 1 0 388.490 -1.542 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCN1S(C)(=O)=O ZINC001330410544 1074914896 /nfs/dbraw/zinc/91/48/96/1074914896.db2.gz DPKDZYFHQVWEKJ-MGPQQGTHSA-N 1 0 388.490 -1.542 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCN1S(C)(=O)=O ZINC001330410546 1074914990 /nfs/dbraw/zinc/91/49/90/1074914990.db2.gz DPKDZYFHQVWEKJ-RDBSUJKOSA-N 1 0 388.490 -1.542 20 0 GAADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001330415847 1074915347 /nfs/dbraw/zinc/91/53/47/1074915347.db2.gz XNXVQEITTDDJAT-GOSISDBHSA-N 1 0 382.461 -1.469 20 0 GAADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001330415848 1074915332 /nfs/dbraw/zinc/91/53/32/1074915332.db2.gz XNXVQEITTDDJAT-SFHVURJKSA-N 1 0 382.461 -1.469 20 0 GAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001330419903 1074915560 /nfs/dbraw/zinc/91/55/60/1074915560.db2.gz SMVNHWAQTWCCIF-HNNXBMFYSA-N 1 0 384.477 -1.033 20 0 GAADRO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001330419905 1074915576 /nfs/dbraw/zinc/91/55/76/1074915576.db2.gz SMVNHWAQTWCCIF-OAHLLOKOSA-N 1 0 384.477 -1.033 20 0 GAADRO O=C(CNC(=O)Cn1ncn2nccc2c1=O)NCC[NH+]1CCCCCC1 ZINC001330422747 1074915543 /nfs/dbraw/zinc/91/55/43/1074915543.db2.gz DKJHXEOAEYQVFI-UHFFFAOYSA-N 1 0 375.433 -1.001 20 0 GAADRO CS(=O)(=O)NC1CC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001330434388 1074915860 /nfs/dbraw/zinc/91/58/60/1074915860.db2.gz KPCHVYNWQNGABS-JXQTWKCFSA-N 1 0 388.490 -1.448 20 0 GAADRO CS(=O)(=O)NC1CC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001330434489 1074915894 /nfs/dbraw/zinc/91/58/94/1074915894.db2.gz KPCHVYNWQNGABS-RUXDESIVSA-N 1 0 388.490 -1.448 20 0 GAADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001330442935 1074916190 /nfs/dbraw/zinc/91/61/90/1074916190.db2.gz RTBPLNVURMTKTC-UHFFFAOYSA-N 1 0 389.522 -1.074 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[C@H](C)O1 ZINC001330447136 1074916480 /nfs/dbraw/zinc/91/64/80/1074916480.db2.gz GSVQDRPWZADHBQ-CFVMTHIKSA-N 1 0 383.445 -1.167 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[C@H](C)O1 ZINC001330447139 1074916518 /nfs/dbraw/zinc/91/65/18/1074916518.db2.gz GSVQDRPWZADHBQ-QEJZJMRPSA-N 1 0 383.445 -1.167 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC001330452291 1074916867 /nfs/dbraw/zinc/91/68/67/1074916867.db2.gz IWPVSPXTOLZXOQ-KBPBESRZSA-N 1 0 389.522 -1.087 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC001330452293 1074916861 /nfs/dbraw/zinc/91/68/61/1074916861.db2.gz IWPVSPXTOLZXOQ-KGLIPLIRSA-N 1 0 389.522 -1.087 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC001330452295 1074916843 /nfs/dbraw/zinc/91/68/43/1074916843.db2.gz IWPVSPXTOLZXOQ-UONOGXRCSA-N 1 0 389.522 -1.087 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC001330452298 1074916819 /nfs/dbraw/zinc/91/68/19/1074916819.db2.gz IWPVSPXTOLZXOQ-ZIAGYGMSSA-N 1 0 389.522 -1.087 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC001330453694 1074916881 /nfs/dbraw/zinc/91/68/81/1074916881.db2.gz MYUWDMGDSYYYOK-UHFFFAOYSA-N 1 0 389.522 -1.263 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001330470469 1074917455 /nfs/dbraw/zinc/91/74/55/1074917455.db2.gz YOCNIXQLOYGEIW-CABCVRRESA-N 1 0 380.493 -1.245 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001330470471 1074917403 /nfs/dbraw/zinc/91/74/03/1074917403.db2.gz YOCNIXQLOYGEIW-GJZGRUSLSA-N 1 0 380.493 -1.245 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001330470472 1074917469 /nfs/dbraw/zinc/91/74/69/1074917469.db2.gz YOCNIXQLOYGEIW-HUUCEWRRSA-N 1 0 380.493 -1.245 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001330470474 1074917423 /nfs/dbraw/zinc/91/74/23/1074917423.db2.gz YOCNIXQLOYGEIW-LSDHHAIUSA-N 1 0 380.493 -1.245 20 0 GAADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001330479033 1074917743 /nfs/dbraw/zinc/91/77/43/1074917743.db2.gz HVIUPPVEWYHNNX-NEPJUHHUSA-N 1 0 391.494 -1.834 20 0 GAADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001330479039 1074917871 /nfs/dbraw/zinc/91/78/71/1074917871.db2.gz HVIUPPVEWYHNNX-NWDGAFQWSA-N 1 0 391.494 -1.834 20 0 GAADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001330479040 1074917824 /nfs/dbraw/zinc/91/78/24/1074917824.db2.gz HVIUPPVEWYHNNX-RYUDHWBXSA-N 1 0 391.494 -1.834 20 0 GAADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001330479042 1074917843 /nfs/dbraw/zinc/91/78/43/1074917843.db2.gz HVIUPPVEWYHNNX-VXGBXAGGSA-N 1 0 391.494 -1.834 20 0 GAADRO CC(C)(C)CC(=O)N1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC001330479650 1074917785 /nfs/dbraw/zinc/91/77/85/1074917785.db2.gz NSMGNHADRKCFAH-UHFFFAOYSA-N 1 0 381.477 -1.359 20 0 GAADRO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001330482091 1074917761 /nfs/dbraw/zinc/91/77/61/1074917761.db2.gz UNIRNLTXWWAMAQ-BZUAXINKSA-N 1 0 396.488 -1.081 20 0 GAADRO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001330482093 1074918120 /nfs/dbraw/zinc/91/81/20/1074918120.db2.gz UNIRNLTXWWAMAQ-OWCLPIDISA-N 1 0 396.488 -1.081 20 0 GAADRO COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C2 ZINC001330482097 1074918078 /nfs/dbraw/zinc/91/80/78/1074918078.db2.gz UQGOEGDOWYSDIB-VBHSOAQHSA-N 1 0 380.445 -1.323 20 0 GAADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC001330488057 1074918138 /nfs/dbraw/zinc/91/81/38/1074918138.db2.gz GXWGWIOKSRLOQY-CYBMUJFWSA-N 1 0 377.401 -1.284 20 0 GAADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC001330488059 1074918112 /nfs/dbraw/zinc/91/81/12/1074918112.db2.gz GXWGWIOKSRLOQY-ZDUSSCGKSA-N 1 0 377.401 -1.284 20 0 GAADRO Cn1nnc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)n1 ZINC001330492491 1074918124 /nfs/dbraw/zinc/91/81/24/1074918124.db2.gz ZLZLPYOKLMQYGZ-HNNXBMFYSA-N 1 0 386.460 -1.241 20 0 GAADRO Cn1nnc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)n1 ZINC001330492492 1074918099 /nfs/dbraw/zinc/91/80/99/1074918099.db2.gz ZLZLPYOKLMQYGZ-OAHLLOKOSA-N 1 0 386.460 -1.241 20 0 GAADRO NC(=O)CN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC001330494587 1074918129 /nfs/dbraw/zinc/91/81/29/1074918129.db2.gz BJZYEGBCLFBFLS-CYBMUJFWSA-N 1 0 381.433 -2.800 20 0 GAADRO NC(=O)CN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC001330494600 1074918095 /nfs/dbraw/zinc/91/80/95/1074918095.db2.gz BJZYEGBCLFBFLS-ZDUSSCGKSA-N 1 0 381.433 -2.800 20 0 GAADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)CC[C@H]21 ZINC001330496079 1074918316 /nfs/dbraw/zinc/91/83/16/1074918316.db2.gz KHIQGNZTULSVFN-CKEIUWERSA-N 1 0 385.486 -1.045 20 0 GAADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC[C@H]21 ZINC001330496089 1074918267 /nfs/dbraw/zinc/91/82/67/1074918267.db2.gz KHIQGNZTULSVFN-CPUCHLNUSA-N 1 0 385.486 -1.045 20 0 GAADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)CC[C@@H]21 ZINC001330496090 1074918284 /nfs/dbraw/zinc/91/82/84/1074918284.db2.gz KHIQGNZTULSVFN-JKIFEVAISA-N 1 0 385.486 -1.045 20 0 GAADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC[C@@H]21 ZINC001330496092 1074918356 /nfs/dbraw/zinc/91/83/56/1074918356.db2.gz KHIQGNZTULSVFN-KEYYUXOJSA-N 1 0 385.486 -1.045 20 0 GAADRO CCOC(=O)[C@@]1(C)CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC001330497830 1074918394 /nfs/dbraw/zinc/91/83/94/1074918394.db2.gz VQFVDHMNLGKFMP-GOSISDBHSA-N 1 0 398.460 -1.601 20 0 GAADRO CCOC(=O)[C@]1(C)CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC001330497831 1074918296 /nfs/dbraw/zinc/91/82/96/1074918296.db2.gz VQFVDHMNLGKFMP-SFHVURJKSA-N 1 0 398.460 -1.601 20 0 GAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001330510578 1074918789 /nfs/dbraw/zinc/91/87/89/1074918789.db2.gz RTWTUHCWFGTZAW-GFCCVEGCSA-N 1 0 398.489 -1.174 20 0 GAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001330510579 1074918694 /nfs/dbraw/zinc/91/86/94/1074918694.db2.gz RTWTUHCWFGTZAW-LBPRGKRZSA-N 1 0 398.489 -1.174 20 0 GAADRO [NH3+][C@@H]1CN(C(=O)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC[C@H]1F ZINC001330518444 1074918861 /nfs/dbraw/zinc/91/88/61/1074918861.db2.gz BIWXLGMRTMKAIF-CHWSQXEVSA-N 1 0 376.454 -1.043 20 0 GAADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001330521289 1074918876 /nfs/dbraw/zinc/91/88/76/1074918876.db2.gz VFZVYMLGLXZFSJ-ZDUSSCGKSA-N 1 0 384.458 -1.606 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC001330524131 1074918885 /nfs/dbraw/zinc/91/88/85/1074918885.db2.gz AILZUXOEYOOCKD-GDBMZVCRSA-N 1 0 397.520 -1.072 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC001330524132 1074918762 /nfs/dbraw/zinc/91/87/62/1074918762.db2.gz AILZUXOEYOOCKD-GOEBONIOSA-N 1 0 397.520 -1.072 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC001330524133 1074918847 /nfs/dbraw/zinc/91/88/47/1074918847.db2.gz AILZUXOEYOOCKD-HOCLYGCPSA-N 1 0 397.520 -1.072 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC001330524134 1074918816 /nfs/dbraw/zinc/91/88/16/1074918816.db2.gz AILZUXOEYOOCKD-ZBFHGGJFSA-N 1 0 397.520 -1.072 20 0 GAADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001330524816 1074918704 /nfs/dbraw/zinc/91/87/04/1074918704.db2.gz GDIKHPOYNJEKBM-UHFFFAOYSA-N 1 0 388.412 -1.509 20 0 GAADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001330524890 1074918725 /nfs/dbraw/zinc/91/87/25/1074918725.db2.gz IMATZPBCGBCABY-UHFFFAOYSA-N 1 0 399.451 -1.257 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC001330524918 1074918755 /nfs/dbraw/zinc/91/87/55/1074918755.db2.gz IUOAHRSCWLCYHI-UHFFFAOYSA-N 1 0 390.510 -2.652 20 0 GAADRO CONC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC001330534032 1074918835 /nfs/dbraw/zinc/91/88/35/1074918835.db2.gz LLCHLOUNTSDGLQ-AWEZNQCLSA-N 1 0 383.493 -1.098 20 0 GAADRO CONC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC001330534033 1074918794 /nfs/dbraw/zinc/91/87/94/1074918794.db2.gz LLCHLOUNTSDGLQ-CQSZACIVSA-N 1 0 383.493 -1.098 20 0 GAADRO CCN(CC)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001330536055 1074919043 /nfs/dbraw/zinc/91/90/43/1074919043.db2.gz JVQORFHLJSUKTN-HNNXBMFYSA-N 1 0 383.493 -1.506 20 0 GAADRO CCN(CC)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001330536062 1074919106 /nfs/dbraw/zinc/91/91/06/1074919106.db2.gz JVQORFHLJSUKTN-OAHLLOKOSA-N 1 0 383.493 -1.506 20 0 GAADRO C[N@@H+]1CCN(C(=O)C(=O)NC[C@]23COCCN2C(=O)COC3)CCC1(C)C ZINC001330536551 1074919165 /nfs/dbraw/zinc/91/91/65/1074919165.db2.gz NPRMAYPMGPUQJH-GOSISDBHSA-N 1 0 382.461 -1.327 20 0 GAADRO C[N@@H+]1CCN(C(=O)C(=O)NC[C@@]23COCCN2C(=O)COC3)CCC1(C)C ZINC001330536552 1074919190 /nfs/dbraw/zinc/91/91/90/1074919190.db2.gz NPRMAYPMGPUQJH-SFHVURJKSA-N 1 0 382.461 -1.327 20 0 GAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCC([NH+]4CCN(C)CC4)CC3)C[C@H]2C1=O ZINC001330540894 1074919072 /nfs/dbraw/zinc/91/90/72/1074919072.db2.gz IQCRLXYBVSGDID-GASCZTMLSA-N 1 0 391.472 -1.702 20 0 GAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)n1 ZINC001330542618 1074919145 /nfs/dbraw/zinc/91/91/45/1074919145.db2.gz AVTCMRMLNMFUNV-GFCCVEGCSA-N 1 0 378.433 -1.562 20 0 GAADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC001330542621 1074919019 /nfs/dbraw/zinc/91/90/19/1074919019.db2.gz AVTCMRMLNMFUNV-LBPRGKRZSA-N 1 0 378.433 -1.562 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC001330543079 1074919415 /nfs/dbraw/zinc/91/94/15/1074919415.db2.gz FUZVXXSTJBTUAZ-DZGCQCFKSA-N 1 0 384.477 -1.299 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC001330543081 1074919507 /nfs/dbraw/zinc/91/95/07/1074919507.db2.gz FUZVXXSTJBTUAZ-HIFRSBDPSA-N 1 0 384.477 -1.299 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC001330543083 1074919378 /nfs/dbraw/zinc/91/93/78/1074919378.db2.gz FUZVXXSTJBTUAZ-UKRRQHHQSA-N 1 0 384.477 -1.299 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)CC1 ZINC001330543085 1074919464 /nfs/dbraw/zinc/91/94/64/1074919464.db2.gz FUZVXXSTJBTUAZ-ZFWWWQNUSA-N 1 0 384.477 -1.299 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001330545064 1074919401 /nfs/dbraw/zinc/91/94/01/1074919401.db2.gz ZOWHYVMJIIOAOQ-CYBMUJFWSA-N 1 0 381.477 -1.218 20 0 GAADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001330545065 1074919513 /nfs/dbraw/zinc/91/95/13/1074919513.db2.gz ZOWHYVMJIIOAOQ-ZDUSSCGKSA-N 1 0 381.477 -1.218 20 0 GAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001330551736 1074919493 /nfs/dbraw/zinc/91/94/93/1074919493.db2.gz LHIFDYSDKPPYGH-GASCZTMLSA-N 1 0 396.488 -1.250 20 0 GAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC001330551737 1074919519 /nfs/dbraw/zinc/91/95/19/1074919519.db2.gz LHIFDYSDKPPYGH-GJZGRUSLSA-N 1 0 396.488 -1.250 20 0 GAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC001330551739 1074919367 /nfs/dbraw/zinc/91/93/67/1074919367.db2.gz LHIFDYSDKPPYGH-HUUCEWRRSA-N 1 0 396.488 -1.250 20 0 GAADRO C[C@@H]1CN(CCN2C(=O)CNC2=O)C(C)(C)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001330566901 1074919819 /nfs/dbraw/zinc/91/98/19/1074919819.db2.gz LKAHUKWCXMHOEE-GFCCVEGCSA-N 1 0 380.449 -1.125 20 0 GAADRO C[C@H]1CN(CCN2C(=O)CNC2=O)C(C)(C)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001330566905 1074919773 /nfs/dbraw/zinc/91/97/73/1074919773.db2.gz LKAHUKWCXMHOEE-LBPRGKRZSA-N 1 0 380.449 -1.125 20 0 GAADRO O=C(C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC([C@@H]2CCOC2)C1 ZINC001330567750 1074919767 /nfs/dbraw/zinc/91/97/67/1074919767.db2.gz LTCMCOMPVASIFZ-BEAPCOKYSA-N 1 0 378.429 -1.125 20 0 GAADRO O=C(C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC([C@H]2CCOC2)C1 ZINC001330567752 1074919795 /nfs/dbraw/zinc/91/97/95/1074919795.db2.gz LTCMCOMPVASIFZ-MHEUCROKSA-N 1 0 378.429 -1.125 20 0 GAADRO O=C(C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC([C@H]2CCOC2)C1 ZINC001330567754 1074919805 /nfs/dbraw/zinc/91/98/05/1074919805.db2.gz LTCMCOMPVASIFZ-MYPMTAMASA-N 1 0 378.429 -1.125 20 0 GAADRO O=C(C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC([C@@H]2CCOC2)C1 ZINC001330567759 1074919808 /nfs/dbraw/zinc/91/98/08/1074919808.db2.gz LTCMCOMPVASIFZ-NGFQHRJXSA-N 1 0 378.429 -1.125 20 0 GAADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CCO1 ZINC001330573400 1074919842 /nfs/dbraw/zinc/91/98/42/1074919842.db2.gz WSHYNVRKFYJNPY-AWEZNQCLSA-N 1 0 390.506 -1.437 20 0 GAADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CCO1 ZINC001330573401 1074919834 /nfs/dbraw/zinc/91/98/34/1074919834.db2.gz WSHYNVRKFYJNPY-CQSZACIVSA-N 1 0 390.506 -1.437 20 0 GAADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)CC[C@@H]21 ZINC001330587526 1074920109 /nfs/dbraw/zinc/92/01/09/1074920109.db2.gz ZVNLOQNPYVXLAS-KBPBESRZSA-N 1 0 388.490 -1.683 20 0 GAADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)CC[C@@H]21 ZINC001330587527 1074920177 /nfs/dbraw/zinc/92/01/77/1074920177.db2.gz ZVNLOQNPYVXLAS-KGLIPLIRSA-N 1 0 388.490 -1.683 20 0 GAADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)CC[C@H]21 ZINC001330587528 1074920129 /nfs/dbraw/zinc/92/01/29/1074920129.db2.gz ZVNLOQNPYVXLAS-UONOGXRCSA-N 1 0 388.490 -1.683 20 0 GAADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)CC[C@H]21 ZINC001330587529 1074920436 /nfs/dbraw/zinc/92/04/36/1074920436.db2.gz ZVNLOQNPYVXLAS-ZIAGYGMSSA-N 1 0 388.490 -1.683 20 0 GAADRO COCCNC(=O)CN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001330591932 1074920525 /nfs/dbraw/zinc/92/05/25/1074920525.db2.gz LQLWSYWPGXEQEW-UHFFFAOYSA-N 1 0 379.465 -1.277 20 0 GAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]2C1=O ZINC001330599523 1074920519 /nfs/dbraw/zinc/92/05/19/1074920519.db2.gz TZOOIOHPDJVANA-OKILXGFUSA-N 1 0 392.456 -1.179 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)CC1 ZINC001330600386 1074920469 /nfs/dbraw/zinc/92/04/69/1074920469.db2.gz BCDQJYJNVOGKRW-UHFFFAOYSA-N 1 0 375.495 -1.335 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC001330602327 1074920456 /nfs/dbraw/zinc/92/04/56/1074920456.db2.gz MYAAXQYDIMDVDZ-UHFFFAOYSA-N 1 0 378.495 -1.307 20 0 GAADRO CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001330602347 1074920444 /nfs/dbraw/zinc/92/04/44/1074920444.db2.gz NHGZKEVICZNDBB-CYBMUJFWSA-N 1 0 377.449 -1.556 20 0 GAADRO CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001330602350 1074920461 /nfs/dbraw/zinc/92/04/61/1074920461.db2.gz NHGZKEVICZNDBB-ZDUSSCGKSA-N 1 0 377.449 -1.556 20 0 GAADRO C[S@@](=O)C1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[NH2+]CC1 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UJMMJUHWJNDVNF-ZDUSSCGKSA-N 1 0 375.495 -1.429 20 0 GAADRO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CC[NH+](CCCF)CC2)[C@H](O)[C@@H]1O ZINC001331313934 1074990581 /nfs/dbraw/zinc/99/05/81/1074990581.db2.gz DETUDAFIWOWAGT-LSCFUAHRSA-N 1 0 396.423 -1.081 20 0 GAADRO CCN(CC)C(=O)CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001331319834 1074990542 /nfs/dbraw/zinc/99/05/42/1074990542.db2.gz QENJUWXHAWVYML-UHFFFAOYSA-N 1 0 382.465 -1.860 20 0 GAADRO C[C@H]([NH3+])CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC001331320022 1074990599 /nfs/dbraw/zinc/99/05/99/1074990599.db2.gz RRWJTTVQLOPHCA-ZDUSSCGKSA-N 1 0 377.449 -1.515 20 0 GAADRO Cn1nccc1[C@@H](O)C1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001331378239 1074991498 /nfs/dbraw/zinc/99/14/98/1074991498.db2.gz FWQROZDLFCOLHN-UXLLHSPISA-N 1 0 391.472 -1.031 20 0 GAADRO Cn1nccc1[C@H](O)C1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001331378240 1074991457 /nfs/dbraw/zinc/99/14/57/1074991457.db2.gz FWQROZDLFCOLHN-ZMSDIMECSA-N 1 0 391.472 -1.031 20 0 GAADRO Cn1nccc1[C@@H](O)C1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC001331385201 1074991846 /nfs/dbraw/zinc/99/18/46/1074991846.db2.gz AOGUCTAXZXBJRS-INIZCTEOSA-N 1 0 392.460 -1.760 20 0 GAADRO Cn1nccc1[C@H](O)C1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC001331385202 1074991884 /nfs/dbraw/zinc/99/18/84/1074991884.db2.gz AOGUCTAXZXBJRS-MRXNPFEDSA-N 1 0 392.460 -1.760 20 0 GAADRO CC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001331389674 1074991871 /nfs/dbraw/zinc/99/18/71/1074991871.db2.gz YZWPIDQQYPCLAT-NEPJUHHUSA-N 1 0 379.383 -1.324 20 0 GAADRO CC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001331389698 1074991865 /nfs/dbraw/zinc/99/18/65/1074991865.db2.gz YZWPIDQQYPCLAT-VXGBXAGGSA-N 1 0 379.383 -1.324 20 0 GAADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)C(=O)N3CCCC3)CC1)C2 ZINC001331394061 1074991898 /nfs/dbraw/zinc/99/18/98/1074991898.db2.gz SBPZSWVUPPDGTD-AUUYWEPGSA-N 1 0 391.472 -1.381 20 0 GAADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)C(=O)N3CCCC3)CC1)C2 ZINC001331394066 1074991902 /nfs/dbraw/zinc/99/19/02/1074991902.db2.gz SBPZSWVUPPDGTD-IFXJQAMLSA-N 1 0 391.472 -1.381 20 0 GAADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(C(=O)C(=O)N3CCCC3)CC1)C2 ZINC001331394069 1074991914 /nfs/dbraw/zinc/99/19/14/1074991914.db2.gz SBPZSWVUPPDGTD-KUHUBIRLSA-N 1 0 391.472 -1.381 20 0 GAADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(C(=O)C(=O)N3CCCC3)CC1)C2 ZINC001331394072 1074991856 /nfs/dbraw/zinc/99/18/56/1074991856.db2.gz SBPZSWVUPPDGTD-LIRRHRJNSA-N 1 0 391.472 -1.381 20 0 GAADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC001331436902 1074993293 /nfs/dbraw/zinc/99/32/93/1074993293.db2.gz MMBUKKDZKFPZAT-LLVKDONJSA-N 1 0 381.449 -1.140 20 0 GAADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC001331436910 1074993264 /nfs/dbraw/zinc/99/32/64/1074993264.db2.gz MMBUKKDZKFPZAT-NSHDSACASA-N 1 0 381.449 -1.140 20 0 GAADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC001331459513 1074994252 /nfs/dbraw/zinc/99/42/52/1074994252.db2.gz ZMKNJSPOQAOFTC-CYBMUJFWSA-N 1 0 393.444 -1.538 20 0 GAADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001331459514 1074994370 /nfs/dbraw/zinc/99/43/70/1074994370.db2.gz ZMKNJSPOQAOFTC-ZDUSSCGKSA-N 1 0 393.444 -1.538 20 0 GAADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001331489504 1074995017 /nfs/dbraw/zinc/99/50/17/1074995017.db2.gz SOLNGRDNOTZFHK-UHFFFAOYSA-N 1 0 398.485 -1.248 20 0 GAADRO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC001331513125 1074994947 /nfs/dbraw/zinc/99/49/47/1074994947.db2.gz MORBZPMFRHKVDP-KBPBESRZSA-N 1 0 392.522 -1.000 20 0 GAADRO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC001331513126 1074994958 /nfs/dbraw/zinc/99/49/58/1074994958.db2.gz MORBZPMFRHKVDP-KGLIPLIRSA-N 1 0 392.522 -1.000 20 0 GAADRO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC001331513127 1074994990 /nfs/dbraw/zinc/99/49/90/1074994990.db2.gz MORBZPMFRHKVDP-UONOGXRCSA-N 1 0 392.522 -1.000 20 0 GAADRO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC001331513128 1074995071 /nfs/dbraw/zinc/99/50/71/1074995071.db2.gz MORBZPMFRHKVDP-ZIAGYGMSSA-N 1 0 392.522 -1.000 20 0 GAADRO CS(=O)(=O)CCS(=O)(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001331530186 1074995547 /nfs/dbraw/zinc/99/55/47/1074995547.db2.gz CSHAZHBHARFAAI-NEPJUHHUSA-N 1 0 381.476 -1.382 20 0 GAADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001331559901 1074995513 /nfs/dbraw/zinc/99/55/13/1074995513.db2.gz RIQUICLFZCHQSE-GFCCVEGCSA-N 1 0 395.441 -1.776 20 0 GAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001331559935 1074995708 /nfs/dbraw/zinc/99/57/08/1074995708.db2.gz SBGGQWWMXJGHKA-LBPRGKRZSA-N 1 0 397.457 -1.091 20 0 GAADRO Cn1c2ncn(CCC(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)c2c(=O)n(C)c1=O ZINC001331568465 1074995783 /nfs/dbraw/zinc/99/57/83/1074995783.db2.gz IRBDJKWPEITSSN-CHWSQXEVSA-N 1 0 390.444 -1.509 20 0 GAADRO Cn1c2ncn(CCC(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)c2c(=O)n(C)c1=O ZINC001331568473 1074995839 /nfs/dbraw/zinc/99/58/39/1074995839.db2.gz IRBDJKWPEITSSN-OLZOCXBDSA-N 1 0 390.444 -1.509 20 0 GAADRO Cn1c2ncn(CCC(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)c2c(=O)n(C)c1=O ZINC001331568477 1074995673 /nfs/dbraw/zinc/99/56/73/1074995673.db2.gz IRBDJKWPEITSSN-QWHCGFSZSA-N 1 0 390.444 -1.509 20 0 GAADRO Cn1c2ncn(CCC(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)c2c(=O)n(C)c1=O ZINC001331568481 1074995737 /nfs/dbraw/zinc/99/57/37/1074995737.db2.gz IRBDJKWPEITSSN-STQMWFEESA-N 1 0 390.444 -1.509 20 0 GAADRO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001331569794 1074995657 /nfs/dbraw/zinc/99/56/57/1074995657.db2.gz IIBMWKYKXGOSTO-UHFFFAOYSA-N 1 0 391.428 -1.084 20 0 GAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001331570526 1074995859 /nfs/dbraw/zinc/99/58/59/1074995859.db2.gz BJKQVEFXZAYTLX-UHFFFAOYSA-N 1 0 390.506 -1.246 20 0 GAADRO C[C@]1(CNC(=O)C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCC(=O)N1 ZINC001331571278 1074995692 /nfs/dbraw/zinc/99/56/92/1074995692.db2.gz DJXYARUOGKBIIG-FHSNZYRGSA-N 1 0 393.444 -1.445 20 0 GAADRO C[C@@]1(CNC(=O)C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCC(=O)N1 ZINC001331571284 1074995666 /nfs/dbraw/zinc/99/56/66/1074995666.db2.gz DJXYARUOGKBIIG-VBHSOAQHSA-N 1 0 393.444 -1.445 20 0 GAADRO O=C(NCCn1cccn1)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001331572295 1074996118 /nfs/dbraw/zinc/99/61/18/1074996118.db2.gz KLCJWBNTUUFKMH-KGLIPLIRSA-N 1 0 376.417 -1.217 20 0 GAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC[C@H]1C(F)(F)F ZINC001331573189 1074996217 /nfs/dbraw/zinc/99/62/17/1074996217.db2.gz OGZPSVDFXZSMAX-GHMZBOCLSA-N 1 0 380.367 -1.053 20 0 GAADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC[C@@H]1C(F)(F)F ZINC001331573191 1074996212 /nfs/dbraw/zinc/99/62/12/1074996212.db2.gz OGZPSVDFXZSMAX-MNOVXSKESA-N 1 0 380.367 -1.053 20 0 GAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC[C@@H]1C(F)(F)F ZINC001331573193 1074996093 /nfs/dbraw/zinc/99/60/93/1074996093.db2.gz OGZPSVDFXZSMAX-QWRGUYRKSA-N 1 0 380.367 -1.053 20 0 GAADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC[C@H]1C(F)(F)F ZINC001331573195 1074996145 /nfs/dbraw/zinc/99/61/45/1074996145.db2.gz OGZPSVDFXZSMAX-WDEREUQCSA-N 1 0 380.367 -1.053 20 0 GAADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001331574216 1074996186 /nfs/dbraw/zinc/99/61/86/1074996186.db2.gz TXRMCXVTLPIYEN-UHFFFAOYSA-N 1 0 378.495 -1.531 20 0 GAADRO O=C(CNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC001331574241 1074996151 /nfs/dbraw/zinc/99/61/51/1074996151.db2.gz UMKYYAOJPJXUIQ-HNNXBMFYSA-N 1 0 382.461 -1.422 20 0 GAADRO O=C(CNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC001331574242 1074996113 /nfs/dbraw/zinc/99/61/13/1074996113.db2.gz UMKYYAOJPJXUIQ-OAHLLOKOSA-N 1 0 382.461 -1.422 20 0 GAADRO CN(CCOCC[NH3+])C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001331581812 1074996497 /nfs/dbraw/zinc/99/64/97/1074996497.db2.gz FIZCJDYELVLVOU-UHFFFAOYSA-N 1 0 378.476 -1.424 20 0 GAADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001331581847 1074996526 /nfs/dbraw/zinc/99/65/26/1074996526.db2.gz FRDSWODJAVKYGM-AWEZNQCLSA-N 1 0 383.474 -1.068 20 0 GAADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001331581849 1074996576 /nfs/dbraw/zinc/99/65/76/1074996576.db2.gz FRDSWODJAVKYGM-CQSZACIVSA-N 1 0 383.474 -1.068 20 0 GAADRO O=C(NCCCn1cncn1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001331584399 1074996519 /nfs/dbraw/zinc/99/65/19/1074996519.db2.gz LPMVBEVCVOLIQP-UHFFFAOYSA-N 1 0 378.437 -2.046 20 0 GAADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N(C)CCOCC[NH3+])cc1 ZINC001331587957 1074996855 /nfs/dbraw/zinc/99/68/55/1074996855.db2.gz 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GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC001331995527 1075007877 /nfs/dbraw/zinc/00/78/77/1075007877.db2.gz HMTWXKUYVNKMQS-AWEZNQCLSA-N 1 0 389.522 -1.072 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC001331995528 1075007902 /nfs/dbraw/zinc/00/79/02/1075007902.db2.gz HMTWXKUYVNKMQS-CQSZACIVSA-N 1 0 389.522 -1.072 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001331997536 1075007923 /nfs/dbraw/zinc/00/79/23/1075007923.db2.gz PUQXDQXHRJJUHA-CHWSQXEVSA-N 1 0 393.485 -1.385 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC001331998058 1075007867 /nfs/dbraw/zinc/00/78/67/1075007867.db2.gz TWFZTKJZPHUNBT-KBPBESRZSA-N 1 0 389.522 -1.074 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC001331998060 1075007882 /nfs/dbraw/zinc/00/78/82/1075007882.db2.gz TWFZTKJZPHUNBT-KGLIPLIRSA-N 1 0 389.522 -1.074 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC001331998062 1075007907 /nfs/dbraw/zinc/00/79/07/1075007907.db2.gz TWFZTKJZPHUNBT-UONOGXRCSA-N 1 0 389.522 -1.074 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC001331998063 1075007916 /nfs/dbraw/zinc/00/79/16/1075007916.db2.gz TWFZTKJZPHUNBT-ZIAGYGMSSA-N 1 0 389.522 -1.074 20 0 GAADRO O=C(C(=O)N1CC[C@H](O)[C@H](CO)C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001332001203 1075008267 /nfs/dbraw/zinc/00/82/67/1075008267.db2.gz QTLKLSACCHWBKC-LLLHUVSDSA-N 1 0 380.489 -1.385 20 0 GAADRO O=C(C(=O)N1CC[C@@H](O)[C@@H](CO)C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001332001204 1075008237 /nfs/dbraw/zinc/00/82/37/1075008237.db2.gz QTLKLSACCHWBKC-MXASKKJJSA-N 1 0 380.489 -1.385 20 0 GAADRO O=C(C(=O)N1CC[C@@H](O)[C@H](CO)C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001332001205 1075008191 /nfs/dbraw/zinc/00/81/91/1075008191.db2.gz QTLKLSACCHWBKC-QMCVQRASSA-N 1 0 380.489 -1.385 20 0 GAADRO 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ZINC001333533171 1075034708 /nfs/dbraw/zinc/03/47/08/1075034708.db2.gz BGGYAOOGHLPRAI-KGLIPLIRSA-N 1 0 380.536 -1.976 20 0 GAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC001333534440 1075034768 /nfs/dbraw/zinc/03/47/68/1075034768.db2.gz FPYNHAINKNGCJS-GFCCVEGCSA-N 1 0 386.474 -1.360 20 0 GAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC001333534441 1075034730 /nfs/dbraw/zinc/03/47/30/1075034730.db2.gz FPYNHAINKNGCJS-LBPRGKRZSA-N 1 0 386.474 -1.360 20 0 GAADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC001333534776 1075034604 /nfs/dbraw/zinc/03/46/04/1075034604.db2.gz GORLDVMOAXFDMI-GFCCVEGCSA-N 1 0 378.495 -1.213 20 0 GAADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC001333534778 1075034739 /nfs/dbraw/zinc/03/47/39/1075034739.db2.gz GORLDVMOAXFDMI-LBPRGKRZSA-N 1 0 378.495 -1.213 20 0 GAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001333536370 1075034629 /nfs/dbraw/zinc/03/46/29/1075034629.db2.gz 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COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001334943240 1075048366 /nfs/dbraw/zinc/04/83/66/1075048366.db2.gz KASJOSKBPMCRDY-ZDUSSCGKSA-N 1 0 379.479 -1.705 20 0 GAADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC001334949087 1075048405 /nfs/dbraw/zinc/04/84/05/1075048405.db2.gz LZWQQLZJGZCDBT-AWEZNQCLSA-N 1 0 387.506 -1.320 20 0 GAADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC001334949092 1075048397 /nfs/dbraw/zinc/04/83/97/1075048397.db2.gz LZWQQLZJGZCDBT-CQSZACIVSA-N 1 0 387.506 -1.320 20 0 GAADRO CCN(CCC(=O)NC)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001334961273 1075048727 /nfs/dbraw/zinc/04/87/27/1075048727.db2.gz GXWYIMOGKDQMGP-UHFFFAOYSA-N 1 0 381.477 -1.262 20 0 GAADRO CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001334966106 1075048854 /nfs/dbraw/zinc/04/88/54/1075048854.db2.gz FWQUOTAQCRHSGH-HZPDHXFCSA-N 1 0 398.504 -1.181 20 0 GAADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)CC1 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1 0 379.461 -1.525 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC001335122800 1075053242 /nfs/dbraw/zinc/05/32/42/1075053242.db2.gz BCCBXJWHCHZPBN-HNNXBMFYSA-N 1 0 388.538 -1.052 20 0 GAADRO CCN1CC[NH+](CCCCNC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC001335122801 1075053293 /nfs/dbraw/zinc/05/32/93/1075053293.db2.gz BCCBXJWHCHZPBN-OAHLLOKOSA-N 1 0 388.538 -1.052 20 0 GAADRO CCO[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C[NH+](C)C ZINC001335127912 1075053279 /nfs/dbraw/zinc/05/32/79/1075053279.db2.gz LESTXXTVLVVKQP-QWHCGFSZSA-N 1 0 378.495 -1.438 20 0 GAADRO CCO[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C[NH+](C)C ZINC001335127917 1075053225 /nfs/dbraw/zinc/05/32/25/1075053225.db2.gz LESTXXTVLVVKQP-STQMWFEESA-N 1 0 378.495 -1.438 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001335130703 1075053271 /nfs/dbraw/zinc/05/32/71/1075053271.db2.gz KSUBUNBNZQKUMR-CQSZACIVSA-N 1 0 378.481 -1.336 20 0 GAADRO 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382.461 -1.783 20 0 GAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC001335684568 1075060619 /nfs/dbraw/zinc/06/06/19/1075060619.db2.gz RWOGIOHULHNENR-KGLIPLIRSA-N 1 0 382.461 -1.783 20 0 GAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC001335684570 1075060634 /nfs/dbraw/zinc/06/06/34/1075060634.db2.gz RWOGIOHULHNENR-UONOGXRCSA-N 1 0 382.461 -1.783 20 0 GAADRO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC001335684573 1075060670 /nfs/dbraw/zinc/06/06/70/1075060670.db2.gz RWOGIOHULHNENR-ZIAGYGMSSA-N 1 0 382.461 -1.783 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001335691153 1075060647 /nfs/dbraw/zinc/06/06/47/1075060647.db2.gz JWIAVYBKPKZVFE-OKILXGFUSA-N 1 0 387.506 -1.320 20 0 GAADRO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H]1C[NH+](C)C ZINC001335692794 1075060625 /nfs/dbraw/zinc/06/06/25/1075060625.db2.gz UNGOHYYOEGDTHP-DEXNDLTESA-N 1 0 396.488 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O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCOC[C@H]2CCO)CC1 ZINC001335726604 1075061180 /nfs/dbraw/zinc/06/11/80/1075061180.db2.gz JWYQVMXKVWHJPT-OAHLLOKOSA-N 1 0 382.461 -1.637 20 0 GAADRO CN(CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001335788008 1075061213 /nfs/dbraw/zinc/06/12/13/1075061213.db2.gz JQIFBMODRAPROF-DGAVXFQQSA-N 1 0 386.474 -1.501 20 0 GAADRO CN(CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H]1CCS(=O)(=O)C1 ZINC001335788016 1075061248 /nfs/dbraw/zinc/06/12/48/1075061248.db2.gz JQIFBMODRAPROF-FQUUOJAGSA-N 1 0 386.474 -1.501 20 0 GAADRO CN(CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H]1CCS(=O)(=O)C1 ZINC001335788018 1075061566 /nfs/dbraw/zinc/06/15/66/1075061566.db2.gz JQIFBMODRAPROF-RQJABVFESA-N 1 0 386.474 -1.501 20 0 GAADRO CN(CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001335788021 1075061510 /nfs/dbraw/zinc/06/15/10/1075061510.db2.gz JQIFBMODRAPROF-SYQHCUMBSA-N 1 0 386.474 -1.501 20 0 GAADRO O=C(C(=O)N1CCO[C@@H](C(F)F)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001335817465 1075061460 /nfs/dbraw/zinc/06/14/60/1075061460.db2.gz IYLABAPISMHUFF-GFCCVEGCSA-N 1 0 389.403 -1.352 20 0 GAADRO O=C(C(=O)N1CCO[C@H](C(F)F)C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001335817466 1075061496 /nfs/dbraw/zinc/06/14/96/1075061496.db2.gz IYLABAPISMHUFF-LBPRGKRZSA-N 1 0 389.403 -1.352 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001335989944 1075061730 /nfs/dbraw/zinc/06/17/30/1075061730.db2.gz CMAGWLJVINCDSN-BRWVUGGUSA-N 1 0 390.488 -1.061 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001335989947 1075061876 /nfs/dbraw/zinc/06/18/76/1075061876.db2.gz CMAGWLJVINCDSN-IKGGRYGDSA-N 1 0 390.488 -1.061 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001335989949 1075061766 /nfs/dbraw/zinc/06/17/66/1075061766.db2.gz CMAGWLJVINCDSN-IXDOHACOSA-N 1 0 390.488 -1.061 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001335989951 1075061863 /nfs/dbraw/zinc/06/18/63/1075061863.db2.gz CMAGWLJVINCDSN-ZACQAIPSSA-N 1 0 390.488 -1.061 20 0 GAADRO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC001336022197 1075061703 /nfs/dbraw/zinc/06/17/03/1075061703.db2.gz DZCMOKIHOOELAG-UHFFFAOYSA-N 1 0 384.506 -1.063 20 0 GAADRO CCN(CCC(=O)NC)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001336069507 1075062106 /nfs/dbraw/zinc/06/21/06/1075062106.db2.gz BDQRPXXCBDJWJQ-UHFFFAOYSA-N 1 0 397.520 -1.116 20 0 GAADRO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC001336092121 1075062125 /nfs/dbraw/zinc/06/21/25/1075062125.db2.gz ADAGDXIFHODPDZ-GOSISDBHSA-N 1 0 384.477 -1.081 20 0 GAADRO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC001336092122 1075062094 /nfs/dbraw/zinc/06/20/94/1075062094.db2.gz ADAGDXIFHODPDZ-SFHVURJKSA-N 1 0 384.477 -1.081 20 0 GAADRO CN1C(=O)[C@H]2CN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)C[C@H]2C1=O ZINC001336092947 1075062147 /nfs/dbraw/zinc/06/21/47/1075062147.db2.gz JSHOTNBORKJKAS-OKILXGFUSA-N 1 0 379.461 -1.798 20 0 GAADRO CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C1(C[NH3+])CCOCC1 ZINC001336093686 1075062131 /nfs/dbraw/zinc/06/21/31/1075062131.db2.gz HFDWTSNHJAHFGR-HNNXBMFYSA-N 1 0 388.534 -1.243 20 0 GAADRO CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1(C[NH3+])CCOCC1 ZINC001336093689 1075062158 /nfs/dbraw/zinc/06/21/58/1075062158.db2.gz HFDWTSNHJAHFGR-OAHLLOKOSA-N 1 0 388.534 -1.243 20 0 GAADRO O=C(C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336132623 1075062583 /nfs/dbraw/zinc/06/25/83/1075062583.db2.gz DADPBGKCPCPRAB-CVEARBPZSA-N 1 0 398.529 -1.082 20 0 GAADRO O=C(C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001336132624 1075062512 /nfs/dbraw/zinc/06/25/12/1075062512.db2.gz DADPBGKCPCPRAB-HOTGVXAUSA-N 1 0 398.529 -1.082 20 0 GAADRO O=C(C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001336132625 1075062447 /nfs/dbraw/zinc/06/24/47/1075062447.db2.gz DADPBGKCPCPRAB-HZPDHXFCSA-N 1 0 398.529 -1.082 20 0 GAADRO O=C(C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001336132626 1075062575 /nfs/dbraw/zinc/06/25/75/1075062575.db2.gz DADPBGKCPCPRAB-JKSUJKDBSA-N 1 0 398.529 -1.082 20 0 GAADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001336240898 1075063494 /nfs/dbraw/zinc/06/34/94/1075063494.db2.gz KNSBRJOXAJCSTL-AWEZNQCLSA-N 1 0 380.470 -1.032 20 0 GAADRO CCN1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001336248071 1075063576 /nfs/dbraw/zinc/06/35/76/1075063576.db2.gz FFPVOXIWVMVSJW-HNNXBMFYSA-N 1 0 393.488 -1.120 20 0 GAADRO CCN1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001336248073 1075063950 /nfs/dbraw/zinc/06/39/50/1075063950.db2.gz FFPVOXIWVMVSJW-OAHLLOKOSA-N 1 0 393.488 -1.120 20 0 GAADRO CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001336256708 1075063941 /nfs/dbraw/zinc/06/39/41/1075063941.db2.gz SKJRFFPTHAPLFQ-CYBMUJFWSA-N 1 0 375.495 -1.111 20 0 GAADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001336256709 1075063955 /nfs/dbraw/zinc/06/39/55/1075063955.db2.gz SKJRFFPTHAPLFQ-ZDUSSCGKSA-N 1 0 375.495 -1.111 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@@H](C)O1 ZINC001336260052 1075063876 /nfs/dbraw/zinc/06/38/76/1075063876.db2.gz MEKWEOZWGCOWEA-KFWWJZLASA-N 1 0 384.477 -1.225 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H](C)O1 ZINC001336260054 1075063928 /nfs/dbraw/zinc/06/39/28/1075063928.db2.gz MEKWEOZWGCOWEA-ZNMIVQPWSA-N 1 0 384.477 -1.225 20 0 GAADRO CCO[C@H](CNC(=O)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1)C[NH+](C)C ZINC001336288000 1075063956 /nfs/dbraw/zinc/06/39/56/1075063956.db2.gz RIYSRWGNWVCCBZ-BFHYXJOUSA-N 1 0 375.491 -1.038 20 0 GAADRO CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1)C[NH+](C)C ZINC001336288001 1075063854 /nfs/dbraw/zinc/06/38/54/1075063854.db2.gz RIYSRWGNWVCCBZ-HZSPNIEDSA-N 1 0 375.491 -1.038 20 0 GAADRO CCO[C@H](CNC(=O)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1)C[NH+](C)C ZINC001336288002 1075063846 /nfs/dbraw/zinc/06/38/46/1075063846.db2.gz RIYSRWGNWVCCBZ-MELADBBJSA-N 1 0 375.491 -1.038 20 0 GAADRO CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1)C[NH+](C)C ZINC001336288003 1075063871 /nfs/dbraw/zinc/06/38/71/1075063871.db2.gz RIYSRWGNWVCCBZ-MGPQQGTHSA-N 1 0 375.491 -1.038 20 0 GAADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC1 ZINC001336296319 1075063911 /nfs/dbraw/zinc/06/39/11/1075063911.db2.gz VENKHEJTYJRZKU-UHFFFAOYSA-N 1 0 391.476 -1.165 20 0 GAADRO O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001336308251 1075064064 /nfs/dbraw/zinc/06/40/64/1075064064.db2.gz HVLXVPABAIIYQM-HNNXBMFYSA-N 1 0 399.517 -1.176 20 0 GAADRO O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001336308253 1075064167 /nfs/dbraw/zinc/06/41/67/1075064167.db2.gz HVLXVPABAIIYQM-OAHLLOKOSA-N 1 0 399.517 -1.176 20 0 GAADRO CCOCCOCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001336314394 1075064131 /nfs/dbraw/zinc/06/41/31/1075064131.db2.gz IETZOOGZVNIJMW-UHFFFAOYSA-N 1 0 384.477 -1.078 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H](C3OCCO3)C2)CC1 ZINC001336320322 1075064161 /nfs/dbraw/zinc/06/41/61/1075064161.db2.gz UACJVHOHRWQIGI-HNNXBMFYSA-N 1 0 394.472 -1.026 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)CC1 ZINC001336320324 1075064110 /nfs/dbraw/zinc/06/41/10/1075064110.db2.gz UACJVHOHRWQIGI-OAHLLOKOSA-N 1 0 394.472 -1.026 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCCN2C)CC1 ZINC001336328501 1075064181 /nfs/dbraw/zinc/06/41/81/1075064181.db2.gz GSFNAKJBAGZBFR-HNNXBMFYSA-N 1 0 383.493 -1.508 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCCN2C)CC1 ZINC001336328502 1075064103 /nfs/dbraw/zinc/06/41/03/1075064103.db2.gz GSFNAKJBAGZBFR-OAHLLOKOSA-N 1 0 383.493 -1.508 20 0 GAADRO O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001336335465 1075064448 /nfs/dbraw/zinc/06/44/48/1075064448.db2.gz CBVCEWWPLMLDCE-CABCVRRESA-N 1 0 399.517 -1.176 20 0 GAADRO O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001336335466 1075064468 /nfs/dbraw/zinc/06/44/68/1075064468.db2.gz CBVCEWWPLMLDCE-GJZGRUSLSA-N 1 0 399.517 -1.176 20 0 GAADRO O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001336335467 1075064516 /nfs/dbraw/zinc/06/45/16/1075064516.db2.gz CBVCEWWPLMLDCE-HUUCEWRRSA-N 1 0 399.517 -1.176 20 0 GAADRO O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001336335468 1075064419 /nfs/dbraw/zinc/06/44/19/1075064419.db2.gz CBVCEWWPLMLDCE-LSDHHAIUSA-N 1 0 399.517 -1.176 20 0 GAADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C[C@H]1C ZINC001336337012 1075064472 /nfs/dbraw/zinc/06/44/72/1075064472.db2.gz OKTXAAPWDRQGDS-HZSPNIEDSA-N 1 0 387.506 -1.322 20 0 GAADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C[C@@H]1C ZINC001336337013 1075064488 /nfs/dbraw/zinc/06/44/88/1075064488.db2.gz OKTXAAPWDRQGDS-IHRRRGAJSA-N 1 0 387.506 -1.322 20 0 GAADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C[C@@H]1C ZINC001336337014 1075064520 /nfs/dbraw/zinc/06/45/20/1075064520.db2.gz OKTXAAPWDRQGDS-MELADBBJSA-N 1 0 387.506 -1.322 20 0 GAADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C[C@H]1C ZINC001336337015 1075064426 /nfs/dbraw/zinc/06/44/26/1075064426.db2.gz OKTXAAPWDRQGDS-RDBSUJKOSA-N 1 0 387.506 -1.322 20 0 GAADRO CN1C(=O)NC2(CCN(C(=O)C(=O)N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)CC2)C1=O ZINC001336342207 1075064440 /nfs/dbraw/zinc/06/44/40/1075064440.db2.gz GKXNRXWAICDPLZ-PXAZEXFGSA-N 1 0 377.445 -1.061 20 0 GAADRO COCc1ncc2c(n1)CCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C2 ZINC001336344033 1075064727 /nfs/dbraw/zinc/06/47/27/1075064727.db2.gz LYBRSRGGXHVRSN-AWEZNQCLSA-N 1 0 376.461 -1.130 20 0 GAADRO COCc1ncc2c(n1)CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001336344034 1075064713 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O=C(C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)N1CC[NH+](C2CCCC2)CC1 ZINC001336422063 1075065287 /nfs/dbraw/zinc/06/52/87/1075065287.db2.gz LUJAOXLJLIOTAI-AWEZNQCLSA-N 1 0 385.490 -1.566 20 0 GAADRO O=C(C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N1CC[NH+](C2CCCC2)CC1 ZINC001336422064 1075065389 /nfs/dbraw/zinc/06/53/89/1075065389.db2.gz LUJAOXLJLIOTAI-CQSZACIVSA-N 1 0 385.490 -1.566 20 0 GAADRO CCN1CC[C@H]1CNC(=O)C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 ZINC001336440846 1075065375 /nfs/dbraw/zinc/06/53/75/1075065375.db2.gz VWPJAQULKIHVTN-KBXCAEBGSA-N 1 0 382.461 -1.327 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001336494994 1075065468 /nfs/dbraw/zinc/06/54/68/1075065468.db2.gz CBHUYVJNIXSULK-KFWWJZLASA-N 1 0 378.481 -1.338 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001336494995 1075065477 /nfs/dbraw/zinc/06/54/77/1075065477.db2.gz CBHUYVJNIXSULK-RBSFLKMASA-N 1 0 378.481 -1.338 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001336494996 1075065459 /nfs/dbraw/zinc/06/54/59/1075065459.db2.gz CBHUYVJNIXSULK-RRFJBIMHSA-N 1 0 378.481 -1.338 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001336494997 1075065535 /nfs/dbraw/zinc/06/55/35/1075065535.db2.gz CBHUYVJNIXSULK-ZNMIVQPWSA-N 1 0 378.481 -1.338 20 0 GAADRO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)CC1 ZINC001336496208 1075065503 /nfs/dbraw/zinc/06/55/03/1075065503.db2.gz LLSMLKGCVPKFDW-HNNXBMFYSA-N 1 0 386.518 -1.083 20 0 GAADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC001336499267 1075065583 /nfs/dbraw/zinc/06/55/83/1075065583.db2.gz PNORDJAEECBTNI-UHFFFAOYSA-N 1 0 378.495 -1.212 20 0 GAADRO C[NH+]1CCC(CNC(=O)C(=O)N2CCCNC(=O)C2)(N2CCOCC2)CC1 ZINC001336514973 1075065860 /nfs/dbraw/zinc/06/58/60/1075065860.db2.gz GNNNSBBTIRBHLC-UHFFFAOYSA-N 1 0 381.477 -1.752 20 0 GAADRO 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O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001336521324 1075065821 /nfs/dbraw/zinc/06/58/21/1075065821.db2.gz ZGRVBZADSPWARV-KGLIPLIRSA-N 1 0 385.490 -1.566 20 0 GAADRO O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001336521325 1075065872 /nfs/dbraw/zinc/06/58/72/1075065872.db2.gz ZGRVBZADSPWARV-UONOGXRCSA-N 1 0 385.490 -1.566 20 0 GAADRO O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001336521326 1075066137 /nfs/dbraw/zinc/06/61/37/1075066137.db2.gz ZGRVBZADSPWARV-ZIAGYGMSSA-N 1 0 385.490 -1.566 20 0 GAADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H]1C ZINC001336523441 1075066101 /nfs/dbraw/zinc/06/61/01/1075066101.db2.gz XKRWEWCOBQRXLG-ZIAGYGMSSA-N 1 0 382.461 -1.124 20 0 GAADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1C[C@@H]3CS(=O)(=O)C[C@@H]3C1)CCO2 ZINC001336523698 1075066140 /nfs/dbraw/zinc/06/61/40/1075066140.db2.gz ZSEYMCCTIURBRH-OKILXGFUSA-N 1 0 385.486 -1.187 20 0 GAADRO 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ZINC001336553865 1075066773 /nfs/dbraw/zinc/06/67/73/1075066773.db2.gz MEVSUBFILZQCOQ-KRWDZBQOSA-N 1 0 386.518 -1.034 20 0 GAADRO CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001336553867 1075066762 /nfs/dbraw/zinc/06/67/62/1075066762.db2.gz MEVSUBFILZQCOQ-QGZVFWFLSA-N 1 0 386.518 -1.034 20 0 GAADRO COC(=O)N1CC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC001336557976 1075066655 /nfs/dbraw/zinc/06/66/55/1075066655.db2.gz UJAKUPJCKSVKPT-GASCZTMLSA-N 1 0 379.461 -1.020 20 0 GAADRO O=C(NCc1ccnc(N2CCOCC2)c1)C(=O)N1CCNCC[NH2+]CC1 ZINC001336573407 1075066731 /nfs/dbraw/zinc/06/67/31/1075066731.db2.gz OOSBHQKUIGTPEB-UHFFFAOYSA-N 1 0 376.461 -1.444 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 ZINC001336596319 1075066885 /nfs/dbraw/zinc/06/68/85/1075066885.db2.gz DCNPKHUGOSVSDX-HNNXBMFYSA-N 1 0 391.472 -1.415 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 ZINC001336596324 1075066914 /nfs/dbraw/zinc/06/69/14/1075066914.db2.gz DCNPKHUGOSVSDX-OAHLLOKOSA-N 1 0 391.472 -1.415 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001336609322 1075067295 /nfs/dbraw/zinc/06/72/95/1075067295.db2.gz HWVPMPJSHFXQKA-CVEARBPZSA-N 1 0 395.504 -1.724 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001336609323 1075067321 /nfs/dbraw/zinc/06/73/21/1075067321.db2.gz HWVPMPJSHFXQKA-HOTGVXAUSA-N 1 0 395.504 -1.724 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001336609324 1075067312 /nfs/dbraw/zinc/06/73/12/1075067312.db2.gz HWVPMPJSHFXQKA-HZPDHXFCSA-N 1 0 395.504 -1.724 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001336609325 1075067230 /nfs/dbraw/zinc/06/72/30/1075067230.db2.gz HWVPMPJSHFXQKA-JKSUJKDBSA-N 1 0 395.504 -1.724 20 0 GAADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001336626617 1075067534 /nfs/dbraw/zinc/06/75/34/1075067534.db2.gz BJBSOEGYPKEYHD-UHFFFAOYSA-N 1 0 396.536 -1.542 20 0 GAADRO O=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001336643756 1075067598 /nfs/dbraw/zinc/06/75/98/1075067598.db2.gz AVXLMOMSBKJVEK-AEGPPILISA-N 1 0 384.502 -1.283 20 0 GAADRO O=C(N[C@@H]1CCS(=O)(=O)C1)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001336643759 1075067523 /nfs/dbraw/zinc/06/75/23/1075067523.db2.gz AVXLMOMSBKJVEK-YUELXQCFSA-N 1 0 384.502 -1.283 20 0 GAADRO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001336663780 1075067583 /nfs/dbraw/zinc/06/75/83/1075067583.db2.gz RUSGGFXRFRKAPV-OJLVUWQFSA-N 1 0 398.529 -1.037 20 0 GAADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001336670219 1075067614 /nfs/dbraw/zinc/06/76/14/1075067614.db2.gz AXZMNJLMAAURPW-UHFFFAOYSA-N 1 0 396.536 -1.542 20 0 GAADRO O=C(NCCCCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001336672067 1075067591 /nfs/dbraw/zinc/06/75/91/1075067591.db2.gz RMWLWLUDLNBLAL-GASCZTMLSA-N 1 0 386.518 -1.319 20 0 GAADRO Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCCCCCN1CC[NH2+]CC1)CC2 ZINC001336673586 1075067602 /nfs/dbraw/zinc/06/76/02/1075067602.db2.gz XBIVFCAFRJTGSQ-UHFFFAOYSA-N 1 0 390.488 -1.143 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001336711201 1075067559 /nfs/dbraw/zinc/06/75/59/1075067559.db2.gz ICFCRBUMFBDELM-AWEZNQCLSA-N 1 0 389.522 -1.025 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001336711202 1075067627 /nfs/dbraw/zinc/06/76/27/1075067627.db2.gz ICFCRBUMFBDELM-CQSZACIVSA-N 1 0 389.522 -1.025 20 0 GAADRO C[S@@](=O)C1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[NH2+]CC1 ZINC001336720556 1075067878 /nfs/dbraw/zinc/06/78/78/1075067878.db2.gz HGLZPUOKUAFJGY-AREMUKBSSA-N 1 0 386.518 -1.510 20 0 GAADRO C[S@](=O)C1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[NH2+]CC1 ZINC001336720557 1075067894 /nfs/dbraw/zinc/06/78/94/1075067894.db2.gz HGLZPUOKUAFJGY-SANMLTNESA-N 1 0 386.518 -1.510 20 0 GAADRO O=C(Cn1nc2n(c1=O)CCCCC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001336733110 1075067905 /nfs/dbraw/zinc/06/79/05/1075067905.db2.gz ZFNKLBCUKPHTCI-UHFFFAOYSA-N 1 0 391.476 -1.059 20 0 GAADRO C[NH+]1CCC(OCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 ZINC001336761046 1075067860 /nfs/dbraw/zinc/06/78/60/1075067860.db2.gz LVTASPRXOMDQED-CABCVRRESA-N 1 0 375.491 -1.601 20 0 GAADRO C[NH+]1CCC(OCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 ZINC001336761047 1075067900 /nfs/dbraw/zinc/06/79/00/1075067900.db2.gz LVTASPRXOMDQED-GJZGRUSLSA-N 1 0 375.491 -1.601 20 0 GAADRO C[NH+]1CCC(OCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 ZINC001336761048 1075067804 /nfs/dbraw/zinc/06/78/04/1075067804.db2.gz LVTASPRXOMDQED-HUUCEWRRSA-N 1 0 375.491 -1.601 20 0 GAADRO C[NH+]1CCC(OCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 ZINC001336761049 1075067919 /nfs/dbraw/zinc/06/79/19/1075067919.db2.gz LVTASPRXOMDQED-LSDHHAIUSA-N 1 0 375.491 -1.601 20 0 GAADRO CN(CCCNC(=O)C[NH+]1CCC(C(=O)NCCO)CC1)S(C)(=O)=O ZINC001336861948 1075068192 /nfs/dbraw/zinc/06/81/92/1075068192.db2.gz SJYFTMUJANTRFJ-UHFFFAOYSA-N 1 0 378.495 -1.795 20 0 GAADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001336925939 1075068256 /nfs/dbraw/zinc/06/82/56/1075068256.db2.gz GHIZJTPQRNEMNB-CABCVRRESA-N 1 0 388.538 -1.339 20 0 GAADRO Cn1ncnc1C1(O)CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001336948419 1075068224 /nfs/dbraw/zinc/06/82/24/1075068224.db2.gz QWLKRVHNTXYFLD-UHFFFAOYSA-N 1 0 393.492 -1.176 20 0 GAADRO CCN1CC[C@H](NC(=O)C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1=O ZINC001336961333 1075068228 /nfs/dbraw/zinc/06/82/28/1075068228.db2.gz NDNZPKUGUYHRFP-AWEZNQCLSA-N 1 0 381.477 -1.170 20 0 GAADRO CCN1CC[C@@H](NC(=O)C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1=O ZINC001336961334 1075068220 /nfs/dbraw/zinc/06/82/20/1075068220.db2.gz NDNZPKUGUYHRFP-CQSZACIVSA-N 1 0 381.477 -1.170 20 0 GAADRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC001336965266 1075068189 /nfs/dbraw/zinc/06/81/89/1075068189.db2.gz NSUGWMCNEBWRKU-LBPRGKRZSA-N 1 0 377.467 -2.439 20 0 GAADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC001336978488 1075068212 /nfs/dbraw/zinc/06/82/12/1075068212.db2.gz UCVDHYIKZRINRY-UHFFFAOYSA-N 1 0 393.510 -1.931 20 0 GAADRO Cn1c2ncn(CC(=O)NCCCN3CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC001337038845 1075068545 /nfs/dbraw/zinc/06/85/45/1075068545.db2.gz OOSUGPITRSWJLF-UHFFFAOYSA-N 1 0 377.449 -1.813 20 0 GAADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)CC1 ZINC001337043267 1075068516 /nfs/dbraw/zinc/06/85/16/1075068516.db2.gz BPWBWEWNMYGNHH-QLFBSQMISA-N 1 0 386.522 -1.301 20 0 GAADRO O=C(CNC(=O)C(=O)NCCOC(F)(F)C(F)(F)F)N1CC[NH2+]CC1 ZINC001337454221 1075069511 /nfs/dbraw/zinc/06/95/11/1075069511.db2.gz AVNCABKAHMGDCZ-UHFFFAOYSA-N 1 0 376.282 -1.178 20 0 GAADRO C[C@]12CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001337457235 1075069524 /nfs/dbraw/zinc/06/95/24/1075069524.db2.gz YHNSCUPFMBIIPP-CALCHBBNSA-N 1 0 386.518 -1.319 20 0 GAADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001337553856 1075070098 /nfs/dbraw/zinc/07/00/98/1075070098.db2.gz FYRJQWLHWHKZPK-LLVKDONJSA-N 1 0 394.444 -1.016 20 0 GAADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001337553861 1075070101 /nfs/dbraw/zinc/07/01/01/1075070101.db2.gz FYRJQWLHWHKZPK-NSHDSACASA-N 1 0 394.444 -1.016 20 0 GAADRO CS(=O)(=O)N1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001337555254 1075070091 /nfs/dbraw/zinc/07/00/91/1075070091.db2.gz NRVWEIQVGXAMEF-LLVKDONJSA-N 1 0 382.433 -1.159 20 0 GAADRO CS(=O)(=O)N1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001337555255 1075070057 /nfs/dbraw/zinc/07/00/57/1075070057.db2.gz NRVWEIQVGXAMEF-NSHDSACASA-N 1 0 382.433 -1.159 20 0 GAADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@H](C)O1 ZINC001337579539 1075070373 /nfs/dbraw/zinc/07/03/73/1075070373.db2.gz BLEOPPQKDKLQNK-BETUJISGSA-N 1 0 395.464 -1.080 20 0 GAADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@@H](C)O1 ZINC001337579540 1075070247 /nfs/dbraw/zinc/07/02/47/1075070247.db2.gz BLEOPPQKDKLQNK-CHWSQXEVSA-N 1 0 395.464 -1.080 20 0 GAADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@H](C)O1 ZINC001337579541 1075070337 /nfs/dbraw/zinc/07/03/37/1075070337.db2.gz BLEOPPQKDKLQNK-STQMWFEESA-N 1 0 395.464 -1.080 20 0 GAADRO CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001337661352 1075070604 /nfs/dbraw/zinc/07/06/04/1075070604.db2.gz JQGSQQIYDORODK-CYBMUJFWSA-N 1 0 383.474 -1.105 20 0 GAADRO CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001337661353 1075070646 /nfs/dbraw/zinc/07/06/46/1075070646.db2.gz JQGSQQIYDORODK-ZDUSSCGKSA-N 1 0 383.474 -1.105 20 0 GAADRO COCC[C@H]1C[NH2+]CCN1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001337825044 1075071199 /nfs/dbraw/zinc/07/11/99/1075071199.db2.gz UDNIOGIYHPUUMC-JKSUJKDBSA-N 1 0 388.534 -1.372 20 0 GAADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001337855965 1075071207 /nfs/dbraw/zinc/07/12/07/1075071207.db2.gz SVKPWGIRDFTCCT-KBXCAEBGSA-N 1 0 379.461 -1.077 20 0 GAADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001337855966 1075071217 /nfs/dbraw/zinc/07/12/17/1075071217.db2.gz SVKPWGIRDFTCCT-KDOFPFPSSA-N 1 0 379.461 -1.077 20 0 GAADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001337855967 1075071215 /nfs/dbraw/zinc/07/12/15/1075071215.db2.gz SVKPWGIRDFTCCT-KSSFIOAISA-N 1 0 379.461 -1.077 20 0 GAADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001337856192 1075071194 /nfs/dbraw/zinc/07/11/94/1075071194.db2.gz SVKPWGIRDFTCCT-RDTXWAMCSA-N 1 0 379.461 -1.077 20 0 GAADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001337857195 1075071154 /nfs/dbraw/zinc/07/11/54/1075071154.db2.gz ZANVMSNLDFLNNH-CYBMUJFWSA-N 1 0 388.490 -1.540 20 0 GAADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001337857196 1075071176 /nfs/dbraw/zinc/07/11/76/1075071176.db2.gz ZANVMSNLDFLNNH-ZDUSSCGKSA-N 1 0 388.490 -1.540 20 0 GAADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001337880624 1075071691 /nfs/dbraw/zinc/07/16/91/1075071691.db2.gz KXFIACUZWOQGLZ-AWEZNQCLSA-N 1 0 395.485 -1.247 20 0 GAADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001337880625 1075071706 /nfs/dbraw/zinc/07/17/06/1075071706.db2.gz KXFIACUZWOQGLZ-CQSZACIVSA-N 1 0 395.485 -1.247 20 0 GAADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 ZINC001337942812 1075071745 /nfs/dbraw/zinc/07/17/45/1075071745.db2.gz NVEAJBCMLJLOPC-KRWDZBQOSA-N 1 0 398.485 -1.033 20 0 GAADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 ZINC001337942817 1075071714 /nfs/dbraw/zinc/07/17/14/1075071714.db2.gz NVEAJBCMLJLOPC-QGZVFWFLSA-N 1 0 398.485 -1.033 20 0 GAADRO COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1-n1cnnn1 ZINC001337944780 1075071761 /nfs/dbraw/zinc/07/17/61/1075071761.db2.gz WFUVAQZHDGXANA-INIZCTEOSA-N 1 0 375.389 -1.208 20 0 GAADRO COc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1-n1cnnn1 ZINC001337944781 1075071683 /nfs/dbraw/zinc/07/16/83/1075071683.db2.gz WFUVAQZHDGXANA-MRXNPFEDSA-N 1 0 375.389 -1.208 20 0 GAADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001338023203 1075071933 /nfs/dbraw/zinc/07/19/33/1075071933.db2.gz IFVBQJJSMAQSFV-GXTWGEPZSA-N 1 0 387.506 -1.464 20 0 GAADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001338023204 1075072084 /nfs/dbraw/zinc/07/20/84/1075072084.db2.gz IFVBQJJSMAQSFV-JSGCOSHPSA-N 1 0 387.506 -1.464 20 0 GAADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001338023205 1075072015 /nfs/dbraw/zinc/07/20/15/1075072015.db2.gz IFVBQJJSMAQSFV-OCCSQVGLSA-N 1 0 387.506 -1.464 20 0 GAADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001338023206 1075072051 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1 0 376.461 -1.444 20 0 GAADRO CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001338306433 1075073998 /nfs/dbraw/zinc/07/39/98/1075073998.db2.gz AUZGUWZMKXDJJT-IJLUTSLNSA-N 1 0 382.383 -1.141 20 0 GAADRO CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001338306434 1075074100 /nfs/dbraw/zinc/07/41/00/1075074100.db2.gz AUZGUWZMKXDJJT-UTUOFQBUSA-N 1 0 382.383 -1.141 20 0 GAADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001338326431 1075074118 /nfs/dbraw/zinc/07/41/18/1075074118.db2.gz DAWMHDHYGOTGKC-HUUCEWRRSA-N 1 0 381.477 -1.055 20 0 GAADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC001338483532 1075074668 /nfs/dbraw/zinc/07/46/68/1075074668.db2.gz JWMPSIAEJPNNAH-UHFFFAOYSA-N 1 0 384.458 -1.005 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001338519634 1075074767 /nfs/dbraw/zinc/07/47/67/1075074767.db2.gz NMZBRTLTAQKCGV-LTIDMASMSA-N 1 0 380.489 -1.262 20 0 GAADRO 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O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001338644528 1075075788 /nfs/dbraw/zinc/07/57/88/1075075788.db2.gz MGTNQIOCPHHJPP-WOPDTQHZSA-N 1 0 399.439 -1.397 20 0 GAADRO O=C(NCCCCCN1CC[NH2+]CC1)NC[C@]12COCCN1C(=O)COC2 ZINC001338664742 1075076078 /nfs/dbraw/zinc/07/60/78/1075076078.db2.gz FOZUASJVZAINOD-GOSISDBHSA-N 1 0 383.493 -1.011 20 0 GAADRO O=C(NCCCCCN1CC[NH2+]CC1)NC[C@@]12COCCN1C(=O)COC2 ZINC001338664744 1075076098 /nfs/dbraw/zinc/07/60/98/1075076098.db2.gz FOZUASJVZAINOD-SFHVURJKSA-N 1 0 383.493 -1.011 20 0 GAADRO CN(CC1(O)CCC1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001338722507 1075076671 /nfs/dbraw/zinc/07/66/71/1075076671.db2.gz APQWPRLXGLNCIQ-UHFFFAOYSA-N 1 0 380.449 -1.127 20 0 GAADRO CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001338781055 1075077195 /nfs/dbraw/zinc/07/71/95/1075077195.db2.gz RDAGRRVUXIIJSW-MCIONIFRSA-N 1 0 389.460 -1.019 20 0 GAADRO 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PNLBESJCDFSWFC-CQSZACIVSA-N 1 0 379.461 -2.190 20 0 GAADRO O=C(NCCCN1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001340159287 1075082223 /nfs/dbraw/zinc/08/22/23/1075082223.db2.gz XYSZBBXEWTXHOH-KRWDZBQOSA-N 1 0 397.520 -1.652 20 0 GAADRO O=C(NCCCN1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001340159288 1075082140 /nfs/dbraw/zinc/08/21/40/1075082140.db2.gz XYSZBBXEWTXHOH-QGZVFWFLSA-N 1 0 397.520 -1.652 20 0 GAADRO CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)n1 ZINC001340172343 1075082034 /nfs/dbraw/zinc/08/20/34/1075082034.db2.gz YWSGHMPJAUTFNA-UHFFFAOYSA-N 1 0 380.430 -1.089 20 0 GAADRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001340200453 1075082472 /nfs/dbraw/zinc/08/24/72/1075082472.db2.gz RODPNLKCDZUVLH-DOTOQJQBSA-N 1 0 383.537 -1.100 20 0 GAADRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001340200461 1075082484 /nfs/dbraw/zinc/08/24/84/1075082484.db2.gz RODPNLKCDZUVLH-NVXWUHKLSA-N 1 0 383.537 -1.100 20 0 GAADRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001340200463 1075082416 /nfs/dbraw/zinc/08/24/16/1075082416.db2.gz RODPNLKCDZUVLH-RDJZCZTQSA-N 1 0 383.537 -1.100 20 0 GAADRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001340200465 1075082446 /nfs/dbraw/zinc/08/24/46/1075082446.db2.gz RODPNLKCDZUVLH-WBVHZDCISA-N 1 0 383.537 -1.100 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(c2nnnn2CCN2CCOCC2)CC1 ZINC001340221504 1075082500 /nfs/dbraw/zinc/08/25/00/1075082500.db2.gz LZALMLKXSHYCHX-UHFFFAOYSA-N 1 0 378.481 -1.250 20 0 GAADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001340242675 1075082541 /nfs/dbraw/zinc/08/25/41/1075082541.db2.gz WFXGNRSVNFGCKK-CABCVRRESA-N 1 0 377.489 -1.038 20 0 GAADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001340242676 1075082467 /nfs/dbraw/zinc/08/24/67/1075082467.db2.gz WFXGNRSVNFGCKK-GJZGRUSLSA-N 1 0 377.489 -1.038 20 0 GAADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001340242677 1075082495 /nfs/dbraw/zinc/08/24/95/1075082495.db2.gz WFXGNRSVNFGCKK-HUUCEWRRSA-N 1 0 377.489 -1.038 20 0 GAADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001340242678 1075082526 /nfs/dbraw/zinc/08/25/26/1075082526.db2.gz WFXGNRSVNFGCKK-LSDHHAIUSA-N 1 0 377.489 -1.038 20 0 GAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001340247597 1075082746 /nfs/dbraw/zinc/08/27/46/1075082746.db2.gz UHGLCTSAHFBUPL-KBPBESRZSA-N 1 0 390.506 -1.391 20 0 GAADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001340247598 1075082728 /nfs/dbraw/zinc/08/27/28/1075082728.db2.gz UHGLCTSAHFBUPL-KGLIPLIRSA-N 1 0 390.506 -1.391 20 0 GAADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001340247599 1075082803 /nfs/dbraw/zinc/08/28/03/1075082803.db2.gz UHGLCTSAHFBUPL-UONOGXRCSA-N 1 0 390.506 -1.391 20 0 GAADRO 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381.477 -1.181 20 0 GAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](OCCO)C2)C1 ZINC001341185005 1075091137 /nfs/dbraw/zinc/09/11/37/1075091137.db2.gz RUGFFUDBGFRKKJ-CABCVRRESA-N 1 0 384.477 -1.310 20 0 GAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](OCCO)C2)C1 ZINC001341185006 1075091257 /nfs/dbraw/zinc/09/12/57/1075091257.db2.gz RUGFFUDBGFRKKJ-GJZGRUSLSA-N 1 0 384.477 -1.310 20 0 GAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC001341185007 1075091207 /nfs/dbraw/zinc/09/12/07/1075091207.db2.gz RUGFFUDBGFRKKJ-HUUCEWRRSA-N 1 0 384.477 -1.310 20 0 GAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC001341185008 1075091186 /nfs/dbraw/zinc/09/11/86/1075091186.db2.gz RUGFFUDBGFRKKJ-LSDHHAIUSA-N 1 0 384.477 -1.310 20 0 GAADRO CC(=O)NC1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001341185060 1075091118 /nfs/dbraw/zinc/09/11/18/1075091118.db2.gz TULCFUZQELYUBB-AWEZNQCLSA-N 1 0 381.477 -1.183 20 0 GAADRO 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NCWNNXLNIGUJNS-ZIAGYGMSSA-N 1 0 377.445 -1.806 20 0 GAADRO COC(=O)NC1CN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC001346200612 1075141530 /nfs/dbraw/zinc/14/15/30/1075141530.db2.gz OBIBQOGXKRJLLE-UHFFFAOYSA-N 1 0 383.449 -1.388 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCOCC2)CC1 ZINC001346201116 1075141854 /nfs/dbraw/zinc/14/18/54/1075141854.db2.gz VSMBWMFKVJNAJY-UHFFFAOYSA-N 1 0 397.520 -1.164 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC001346201412 1075141828 /nfs/dbraw/zinc/14/18/28/1075141828.db2.gz XOSFKBTVSPSZTK-GASCZTMLSA-N 1 0 382.461 -1.329 20 0 GAADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC001346206575 1075141746 /nfs/dbraw/zinc/14/17/46/1075141746.db2.gz RXYAAVRGBBJKGP-UHFFFAOYSA-N 1 0 394.436 -2.463 20 0 GAADRO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001346207593 1075141766 /nfs/dbraw/zinc/14/17/66/1075141766.db2.gz LCVGDJLTYFIKBB-ZIAGYGMSSA-N 1 0 396.448 -1.892 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cn1 ZINC001346217375 1075141866 /nfs/dbraw/zinc/14/18/66/1075141866.db2.gz HBTFLRGGOZQXFO-UYZZBQRDSA-N 1 0 396.473 -1.769 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cn1 ZINC001346217384 1075141845 /nfs/dbraw/zinc/14/18/45/1075141845.db2.gz HBTFLRGGOZQXFO-BBFKWACYSA-N 1 0 396.473 -1.769 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001346222955 1075141872 /nfs/dbraw/zinc/14/18/72/1075141872.db2.gz COPKTBUXVGHSHK-UHFFFAOYSA-N 1 0 398.489 -1.885 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC001346223299 1075142166 /nfs/dbraw/zinc/14/21/66/1075142166.db2.gz MYYZQYZGVCZTJM-UHFFFAOYSA-N 1 0 378.495 -1.343 20 0 GAADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC(=O)N3CCOCC3)CC2)C1 ZINC001346240057 1075142127 /nfs/dbraw/zinc/14/21/27/1075142127.db2.gz NNJFNOBNCUJBFE-HNNXBMFYSA-N 1 0 381.477 -1.800 20 0 GAADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC(=O)N3CCOCC3)CC2)C1 ZINC001346240326 1075142135 /nfs/dbraw/zinc/14/21/35/1075142135.db2.gz NNJFNOBNCUJBFE-OAHLLOKOSA-N 1 0 381.477 -1.800 20 0 GAADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001346240996 1075142120 /nfs/dbraw/zinc/14/21/20/1075142120.db2.gz RLDKOWLVLDVTLW-CQSZACIVSA-N 1 0 382.461 -1.327 20 0 GAADRO CCCNC(=O)C1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC001346244578 1075142599 /nfs/dbraw/zinc/14/25/99/1075142599.db2.gz ZUHLBCLFPGISKX-UHFFFAOYSA-N 1 0 395.504 -1.016 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001346253240 1075142588 /nfs/dbraw/zinc/14/25/88/1075142588.db2.gz DJCWEHMPOZDVJE-CYBMUJFWSA-N 1 0 376.479 -1.777 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC001346254670 1075142785 /nfs/dbraw/zinc/14/27/85/1075142785.db2.gz SIWDPDBZZKSPRB-UHFFFAOYSA-N 1 0 387.462 -1.696 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001346254840 1075142836 /nfs/dbraw/zinc/14/28/36/1075142836.db2.gz YSOWGYOKIPYRLE-KBPBESRZSA-N 1 0 389.522 -1.864 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001346254841 1075142816 /nfs/dbraw/zinc/14/28/16/1075142816.db2.gz YSOWGYOKIPYRLE-KGLIPLIRSA-N 1 0 389.522 -1.864 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001346254842 1075142834 /nfs/dbraw/zinc/14/28/34/1075142834.db2.gz YSOWGYOKIPYRLE-UONOGXRCSA-N 1 0 389.522 -1.864 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001346254843 1075142853 /nfs/dbraw/zinc/14/28/53/1075142853.db2.gz YSOWGYOKIPYRLE-ZIAGYGMSSA-N 1 0 389.522 -1.864 20 0 GAADRO CNC(=O)NC1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC001346255614 1075142878 /nfs/dbraw/zinc/14/28/78/1075142878.db2.gz HWBKDYMFGCUPNH-UHFFFAOYSA-N 1 0 382.465 -1.861 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1=O ZINC001346256997 1075143254 /nfs/dbraw/zinc/14/32/54/1075143254.db2.gz VXKRAJJPZFKZEY-OLZOCXBDSA-N 1 0 381.433 -1.824 20 0 GAADRO CON(C)C(=O)C1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC001346267549 1075143851 /nfs/dbraw/zinc/14/38/51/1075143851.db2.gz CQGVHNSPDDLXPD-UHFFFAOYSA-N 1 0 397.476 -1.523 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)O1 ZINC001346268187 1075143934 /nfs/dbraw/zinc/14/39/34/1075143934.db2.gz IVZSVUGAMOLTCW-STQMWFEESA-N 1 0 384.433 -1.992 20 0 GAADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001346275205 1075144247 /nfs/dbraw/zinc/14/42/47/1075144247.db2.gz BMGOMTLSRHPWPB-CABCVRRESA-N 1 0 393.488 -1.122 20 0 GAADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001346275206 1075144196 /nfs/dbraw/zinc/14/41/96/1075144196.db2.gz BMGOMTLSRHPWPB-GJZGRUSLSA-N 1 0 393.488 -1.122 20 0 GAADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001346275207 1075144199 /nfs/dbraw/zinc/14/41/99/1075144199.db2.gz BMGOMTLSRHPWPB-HUUCEWRRSA-N 1 0 393.488 -1.122 20 0 GAADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC001346275208 1075144203 /nfs/dbraw/zinc/14/42/03/1075144203.db2.gz BMGOMTLSRHPWPB-LSDHHAIUSA-N 1 0 393.488 -1.122 20 0 GAADRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001346275967 1075144226 /nfs/dbraw/zinc/14/42/26/1075144226.db2.gz HUESDYNXSFMNKD-KBPBESRZSA-N 1 0 392.464 -1.667 20 0 GAADRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001346275968 1075144209 /nfs/dbraw/zinc/14/42/09/1075144209.db2.gz HUESDYNXSFMNKD-KGLIPLIRSA-N 1 0 392.464 -1.667 20 0 GAADRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001346275969 1075144233 /nfs/dbraw/zinc/14/42/33/1075144233.db2.gz HUESDYNXSFMNKD-UONOGXRCSA-N 1 0 392.464 -1.667 20 0 GAADRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001346275970 1075144217 /nfs/dbraw/zinc/14/42/17/1075144217.db2.gz HUESDYNXSFMNKD-ZIAGYGMSSA-N 1 0 392.464 -1.667 20 0 GAADRO COCCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H]1CCS(=O)(=O)C1 ZINC001346278424 1075144567 /nfs/dbraw/zinc/14/45/67/1075144567.db2.gz UZZSOVLEZNCAPM-KBPBESRZSA-N 1 0 390.506 -1.990 20 0 GAADRO COCCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC001346278425 1075144498 /nfs/dbraw/zinc/14/44/98/1075144498.db2.gz UZZSOVLEZNCAPM-KGLIPLIRSA-N 1 0 390.506 -1.990 20 0 GAADRO COCCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCS(=O)(=O)C1 ZINC001346278426 1075144519 /nfs/dbraw/zinc/14/45/19/1075144519.db2.gz UZZSOVLEZNCAPM-UONOGXRCSA-N 1 0 390.506 -1.990 20 0 GAADRO COCCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC001346278427 1075144539 /nfs/dbraw/zinc/14/45/39/1075144539.db2.gz UZZSOVLEZNCAPM-ZIAGYGMSSA-N 1 0 390.506 -1.990 20 0 GAADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC001346278431 1075144553 /nfs/dbraw/zinc/14/45/53/1075144553.db2.gz VCQIHTLKBPXJHW-CHWSQXEVSA-N 1 0 375.495 -2.111 20 0 GAADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC001346278432 1075144601 /nfs/dbraw/zinc/14/46/01/1075144601.db2.gz VCQIHTLKBPXJHW-OLZOCXBDSA-N 1 0 375.495 -2.111 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001346280246 1075144536 /nfs/dbraw/zinc/14/45/36/1075144536.db2.gz HCCRBMZSGHRYAZ-AVGNSLFASA-N 1 0 376.479 -1.603 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001346280250 1075144530 /nfs/dbraw/zinc/14/45/30/1075144530.db2.gz HCCRBMZSGHRYAZ-RWMBFGLXSA-N 1 0 376.479 -1.603 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001346280252 1075144593 /nfs/dbraw/zinc/14/45/93/1075144593.db2.gz HCCRBMZSGHRYAZ-XQQFMLRXSA-N 1 0 376.479 -1.603 20 0 GAADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001346280254 1075144600 /nfs/dbraw/zinc/14/46/00/1075144600.db2.gz HCCRBMZSGHRYAZ-YNEHKIRRSA-N 1 0 376.479 -1.603 20 0 GAADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCNS(=O)(=O)NC(C)C ZINC001346280543 1075144597 /nfs/dbraw/zinc/14/45/97/1075144597.db2.gz AULSESAGIFOOLS-UHFFFAOYSA-N 1 0 385.490 -1.029 20 0 GAADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC001346282064 1075144828 /nfs/dbraw/zinc/14/48/28/1075144828.db2.gz MNOHOHZKMSSTRS-UHFFFAOYSA-N 1 0 376.479 -1.648 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN(S(=O)(=O)CC)CC2)C[C@H]1C[NH3+] ZINC001346282697 1075144790 /nfs/dbraw/zinc/14/47/90/1075144790.db2.gz POGYFTISJWNGEO-TZMCWYRMSA-N 1 0 390.506 -1.261 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC001346282904 1075144842 /nfs/dbraw/zinc/14/48/42/1075144842.db2.gz QGWXCFGWJRBGTK-FRRDWIJNSA-N 1 0 376.479 -1.651 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC001346282945 1075144773 /nfs/dbraw/zinc/14/47/73/1075144773.db2.gz QGWXCFGWJRBGTK-JHJVBQTASA-N 1 0 376.479 -1.651 20 0 GAADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)C[C@H]1C[NH3+] 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/nfs/dbraw/zinc/16/08/59/1075160859.db2.gz IEUONNGMKQFIIK-NWANDNLSSA-N 1 0 382.461 -1.153 20 0 GAADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001347094710 1075160952 /nfs/dbraw/zinc/16/09/52/1075160952.db2.gz IEUONNGMKQFIIK-QEJZJMRPSA-N 1 0 382.461 -1.153 20 0 GAADRO C[C@@H](CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001347102665 1075161252 /nfs/dbraw/zinc/16/12/52/1075161252.db2.gz RHXHOLUGSZPUSA-KBPBESRZSA-N 1 0 377.511 -1.418 20 0 GAADRO C[C@H](CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001347102666 1075161240 /nfs/dbraw/zinc/16/12/40/1075161240.db2.gz RHXHOLUGSZPUSA-KGLIPLIRSA-N 1 0 377.511 -1.418 20 0 GAADRO C[C@@H](CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001347102667 1075161250 /nfs/dbraw/zinc/16/12/50/1075161250.db2.gz RHXHOLUGSZPUSA-UONOGXRCSA-N 1 0 377.511 -1.418 20 0 GAADRO C[C@H](CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001347102668 1075161247 /nfs/dbraw/zinc/16/12/47/1075161247.db2.gz RHXHOLUGSZPUSA-ZIAGYGMSSA-N 1 0 377.511 -1.418 20 0 GAADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC001347108675 1075161243 /nfs/dbraw/zinc/16/12/43/1075161243.db2.gz QEZIHFWAYRJKDF-ILXRZTDVSA-N 1 0 382.461 -1.329 20 0 GAADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[C@H]1F ZINC001347159273 1075162520 /nfs/dbraw/zinc/16/25/20/1075162520.db2.gz GXCZHXUPAHEKGU-VXGBXAGGSA-N 1 0 397.407 -2.296 20 0 GAADRO CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC001347160133 1075162536 /nfs/dbraw/zinc/16/25/36/1075162536.db2.gz MXCYJGAUEMDSPX-UHFFFAOYSA-N 1 0 380.445 -1.146 20 0 GAADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC3=C(CCC(=O)N3)C2)C1 ZINC001347160206 1075162494 /nfs/dbraw/zinc/16/24/94/1075162494.db2.gz NTKVJBHBPLPTRH-CYBMUJFWSA-N 1 0 377.445 -1.304 20 0 GAADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC3=C(CCC(=O)N3)C2)C1 ZINC001347160208 1075162448 /nfs/dbraw/zinc/16/24/48/1075162448.db2.gz NTKVJBHBPLPTRH-ZDUSSCGKSA-N 1 0 377.445 -1.304 20 0 GAADRO COC(=O)NC1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC001347160577 1075162461 /nfs/dbraw/zinc/16/24/61/1075162461.db2.gz OVUFFQQHQXIKTN-GFCCVEGCSA-N 1 0 383.449 -1.353 20 0 GAADRO COC(=O)NC1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC001347160580 1075162453 /nfs/dbraw/zinc/16/24/53/1075162453.db2.gz OVUFFQQHQXIKTN-LBPRGKRZSA-N 1 0 383.449 -1.353 20 0 GAADRO CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001347161683 1075162822 /nfs/dbraw/zinc/16/28/22/1075162822.db2.gz XHVALKLFTSLGAP-ARFHVFGLSA-N 1 0 396.488 -1.033 20 0 GAADRO CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001347161685 1075162761 /nfs/dbraw/zinc/16/27/61/1075162761.db2.gz XHVALKLFTSLGAP-BZUAXINKSA-N 1 0 396.488 -1.033 20 0 GAADRO CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001347161689 1075162760 /nfs/dbraw/zinc/16/27/60/1075162760.db2.gz XHVALKLFTSLGAP-OAGGEKHMSA-N 1 0 396.488 -1.033 20 0 GAADRO CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001347161691 1075162748 /nfs/dbraw/zinc/16/27/48/1075162748.db2.gz XHVALKLFTSLGAP-XHSDSOJGSA-N 1 0 396.488 -1.033 20 0 GAADRO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001347161831 1075162801 /nfs/dbraw/zinc/16/28/01/1075162801.db2.gz YEJVFWDZMQRANU-CHWSQXEVSA-N 1 0 394.469 -1.605 20 0 GAADRO CCCN(C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C1CC[NH2+]CC1 ZINC001347166748 1075162812 /nfs/dbraw/zinc/16/28/12/1075162812.db2.gz GSKHZSPLJPDCNA-UHFFFAOYSA-N 1 0 389.522 -1.072 20 0 GAADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1 ZINC001347167195 1075162777 /nfs/dbraw/zinc/16/27/77/1075162777.db2.gz KXOXEHVBXRIIQJ-CYBMUJFWSA-N 1 0 390.506 -1.294 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1=O ZINC001347167403 1075162778 /nfs/dbraw/zinc/16/27/78/1075162778.db2.gz MREUHHYEUWYXCY-CABCVRRESA-N 1 0 393.488 -1.216 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1=O ZINC001347167408 1075162809 /nfs/dbraw/zinc/16/28/09/1075162809.db2.gz MREUHHYEUWYXCY-GJZGRUSLSA-N 1 0 393.488 -1.216 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1=O ZINC001347167409 1075162763 /nfs/dbraw/zinc/16/27/63/1075162763.db2.gz MREUHHYEUWYXCY-HUUCEWRRSA-N 1 0 393.488 -1.216 20 0 GAADRO CN1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1=O ZINC001347167410 1075162766 /nfs/dbraw/zinc/16/27/66/1075162766.db2.gz MREUHHYEUWYXCY-LSDHHAIUSA-N 1 0 393.488 -1.216 20 0 GAADRO CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC001347167578 1075163163 /nfs/dbraw/zinc/16/31/63/1075163163.db2.gz OIKVGNPROXIJOZ-AWEZNQCLSA-N 1 0 381.477 -1.087 20 0 GAADRO CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC001347167579 1075163169 /nfs/dbraw/zinc/16/31/69/1075163169.db2.gz OIKVGNPROXIJOZ-CQSZACIVSA-N 1 0 381.477 -1.087 20 0 GAADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC001347167594 1075163141 /nfs/dbraw/zinc/16/31/41/1075163141.db2.gz OUUOWOAIKCTUNP-UHFFFAOYSA-N 1 0 389.522 -1.215 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001347168569 1075163112 /nfs/dbraw/zinc/16/31/12/1075163112.db2.gz YNJNJVJONLBUIN-AWEZNQCLSA-N 1 0 391.476 -1.222 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001347168574 1075163160 /nfs/dbraw/zinc/16/31/60/1075163160.db2.gz YNJNJVJONLBUIN-CQSZACIVSA-N 1 0 391.476 -1.222 20 0 GAADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001347229174 1075163837 /nfs/dbraw/zinc/16/38/37/1075163837.db2.gz XQFWUAPZZRIPMW-ILXRZTDVSA-N 1 0 381.477 -1.756 20 0 GAADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@H]21 ZINC001347243707 1075164091 /nfs/dbraw/zinc/16/40/91/1075164091.db2.gz NNSIPLNFWSHOOD-XQQFMLRXSA-N 1 0 386.474 -1.296 20 0 GAADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ncn(C)n1 ZINC001347251822 1075164447 /nfs/dbraw/zinc/16/44/47/1075164447.db2.gz FAGPVGQTRQWWAU-CHWSQXEVSA-N 1 0 377.449 -1.243 20 0 GAADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ncn(C)n1 ZINC001347251823 1075164529 /nfs/dbraw/zinc/16/45/29/1075164529.db2.gz FAGPVGQTRQWWAU-OLZOCXBDSA-N 1 0 377.449 -1.243 20 0 GAADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ncn(C)n1 ZINC001347251824 1075164480 /nfs/dbraw/zinc/16/44/80/1075164480.db2.gz FAGPVGQTRQWWAU-QWHCGFSZSA-N 1 0 377.449 -1.243 20 0 GAADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ncn(C)n1 ZINC001347251825 1075164541 /nfs/dbraw/zinc/16/45/41/1075164541.db2.gz FAGPVGQTRQWWAU-STQMWFEESA-N 1 0 377.449 -1.243 20 0 GAADRO CNS(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001347252266 1075164514 /nfs/dbraw/zinc/16/45/14/1075164514.db2.gz IORGXDBVLBOJIN-UHFFFAOYSA-N 1 0 376.527 -1.195 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2nnc3n2CCOC3)C1 ZINC001347253704 1075164467 /nfs/dbraw/zinc/16/44/67/1075164467.db2.gz VQOQQZJSCGBENY-CYBMUJFWSA-N 1 0 380.449 -1.103 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2nnc3n2CCOC3)C1 ZINC001347253707 1075164502 /nfs/dbraw/zinc/16/45/02/1075164502.db2.gz VQOQQZJSCGBENY-ZDUSSCGKSA-N 1 0 380.449 -1.103 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)NCCCN3CC[NH+](C)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001347262569 1075164544 /nfs/dbraw/zinc/16/45/44/1075164544.db2.gz RMXVTBUPVPYODF-BZUAXINKSA-N 1 0 378.477 -1.336 20 0 GAADRO NS(=O)(=O)CCOCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001347279478 1075164800 /nfs/dbraw/zinc/16/48/00/1075164800.db2.gz BQGJJCUGFSHMAT-AWEZNQCLSA-N 1 0 393.510 -2.003 20 0 GAADRO NS(=O)(=O)CCOCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001347279504 1075164756 /nfs/dbraw/zinc/16/47/56/1075164756.db2.gz BQGJJCUGFSHMAT-CQSZACIVSA-N 1 0 393.510 -2.003 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)N(C)C)CC1 ZINC001347281404 1075164733 /nfs/dbraw/zinc/16/47/33/1075164733.db2.gz HASSIUJEMLYQII-UHFFFAOYSA-N 1 0 392.526 -1.376 20 0 GAADRO COCC[NH+]1CCC(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)CC1 ZINC001347302136 1075165441 /nfs/dbraw/zinc/16/54/41/1075165441.db2.gz XGKPLEAZQOQUSI-UHFFFAOYSA-N 1 0 393.510 -1.838 20 0 GAADRO CN(C)S(=O)(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001347305042 1075165398 /nfs/dbraw/zinc/16/53/98/1075165398.db2.gz HCTZFDLVNFGAGZ-AGIUHOORSA-N 1 0 375.495 -1.418 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001347305838 1075165391 /nfs/dbraw/zinc/16/53/91/1075165391.db2.gz DJTZWRJQOAXGCH-AWEZNQCLSA-N 1 0 389.522 -1.121 20 0 GAADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001347305839 1075165409 /nfs/dbraw/zinc/16/54/09/1075165409.db2.gz DJTZWRJQOAXGCH-CQSZACIVSA-N 1 0 389.522 -1.121 20 0 GAADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)NC(C)C)C1 ZINC001347308699 1075165413 /nfs/dbraw/zinc/16/54/13/1075165413.db2.gz 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20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001347347595 1075166318 /nfs/dbraw/zinc/16/63/18/1075166318.db2.gz HQXCNMVDKWMOBS-UONOGXRCSA-N 1 0 389.522 -1.074 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001347347596 1075166315 /nfs/dbraw/zinc/16/63/15/1075166315.db2.gz HQXCNMVDKWMOBS-ZIAGYGMSSA-N 1 0 389.522 -1.074 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC001347348242 1075166717 /nfs/dbraw/zinc/16/67/17/1075166717.db2.gz NNKKMSHWIRVKOL-UHFFFAOYSA-N 1 0 389.522 -1.072 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001347348802 1075166689 /nfs/dbraw/zinc/16/66/89/1075166689.db2.gz UATBAWZHZFFSRY-CYBMUJFWSA-N 1 0 390.510 -2.701 20 0 GAADRO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001347348807 1075166638 /nfs/dbraw/zinc/16/66/38/1075166638.db2.gz UATBAWZHZFFSRY-ZDUSSCGKSA-N 1 0 390.510 -2.701 20 0 GAADRO 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/nfs/dbraw/zinc/43/20/20/1075432020.db2.gz CATLJGDCDZQIBP-CBBWQLFWSA-N 1 0 376.461 -1.096 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C ZINC001490113910 1075432418 /nfs/dbraw/zinc/43/24/18/1075432418.db2.gz CJZYNFPMJSWNSX-LPWJVIDDSA-N 1 0 375.495 -1.514 20 0 GAADRO C[NH+](C)CCC(=O)N1CCN(C(=O)[C@]23C[C@H]2COC3)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001490545385 1075432902 /nfs/dbraw/zinc/43/29/02/1075432902.db2.gz NYPXKAVGVNROJG-LOUJCGABSA-N 1 0 385.486 -1.189 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1)C(N)=O ZINC001490609114 1075433808 /nfs/dbraw/zinc/43/38/08/1075433808.db2.gz NRODBMGMLUKKFV-QPSCCSFWSA-N 1 0 379.461 -1.290 20 0 GAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncnn1 ZINC001490614010 1075434152 /nfs/dbraw/zinc/43/41/52/1075434152.db2.gz WDYLGBVIKFXKNP-KBXIAJHMSA-N 1 0 377.449 -1.111 20 0 GAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncnn1 ZINC001490614011 1075434238 /nfs/dbraw/zinc/43/42/38/1075434238.db2.gz WDYLGBVIKFXKNP-XGUBFFRZSA-N 1 0 377.449 -1.111 20 0 GAADRO CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CNC(C)=O ZINC001490614170 1075434216 /nfs/dbraw/zinc/43/42/16/1075434216.db2.gz BLOVXAMXNQHYIN-ILXRZTDVSA-N 1 0 381.477 -1.171 20 0 GAADRO C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CNC(N)=O)cn1 ZINC001490620009 1075434254 /nfs/dbraw/zinc/43/42/54/1075434254.db2.gz JLFJVKVWJIRCPV-RDBSUJKOSA-N 1 0 377.449 -1.025 20 0 GAADRO C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001490620850 1075434082 /nfs/dbraw/zinc/43/40/82/1075434082.db2.gz HICMWZGZYWTHMB-AGIUHOORSA-N 1 0 377.449 -1.033 20 0 GAADRO C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001490628666 1075434721 /nfs/dbraw/zinc/43/47/21/1075434721.db2.gz PMCXBNGANCRZRH-DYEKYZERSA-N 1 0 377.449 -1.033 20 0 GAADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001490654452 1075435146 /nfs/dbraw/zinc/43/51/46/1075435146.db2.gz CYGNULTXLVUYLE-RDBSUJKOSA-N 1 0 380.445 -1.135 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001490677770 1075434596 /nfs/dbraw/zinc/43/45/96/1075434596.db2.gz KTQFLSUJXPQNFC-POQQGIQPSA-N 1 0 387.506 -1.372 20 0 GAADRO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1 ZINC001490694431 1075435644 /nfs/dbraw/zinc/43/56/44/1075435644.db2.gz LMZYHYCIDVPTDF-DYEKYZERSA-N 1 0 377.449 -1.033 20 0 GAADRO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C2)[NH+](C)C ZINC001490801304 1075474700 /nfs/dbraw/zinc/47/47/00/1075474700.db2.gz LFRRYEUWPABXPG-MRLBHPIUSA-N 1 0 381.477 -1.045 20 0 GAADRO CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C2 ZINC001490802586 1075474738 /nfs/dbraw/zinc/47/47/38/1075474738.db2.gz ZPFNVKPLCPXJLA-KBXIAJHMSA-N 1 0 381.477 -1.044 20 0 GAADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001490802650 1075474712 /nfs/dbraw/zinc/47/47/12/1075474712.db2.gz BWQPXJWGTLGWSN-NDBYEHHHSA-N 1 0 381.433 -1.589 20 0 GAADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnnn1 ZINC001490803659 1075475301 /nfs/dbraw/zinc/47/53/01/1075475301.db2.gz OFVDZAKDJKGGBA-TUVASFSCSA-N 1 0 377.449 -1.111 20 0 GAADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnnn1 ZINC001490803661 1075475137 /nfs/dbraw/zinc/47/51/37/1075475137.db2.gz OFVDZAKDJKGGBA-YJNKXOJESA-N 1 0 377.449 -1.111 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2)C(N)=O ZINC001490804246 1075474749 /nfs/dbraw/zinc/47/47/49/1075474749.db2.gz XLZHZOGMXOXBBH-KBXIAJHMSA-N 1 0 379.461 -1.290 20 0 GAADRO CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001490806857 1075475115 /nfs/dbraw/zinc/47/51/15/1075475115.db2.gz NPTQFEQOIKXKPN-KBXIAJHMSA-N 1 0 381.477 -1.044 20 0 GAADRO CC(C)[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001490810060 1075475568 /nfs/dbraw/zinc/47/55/68/1075475568.db2.gz SAXKBIHRNPIHEJ-UPJWGTAASA-N 1 0 377.449 -1.035 20 0 GAADRO CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001490830579 1075689267 /nfs/dbraw/zinc/68/92/67/1075689267.db2.gz YHJYGMDKOLXWTO-KFWWJZLASA-N 1 0 381.477 -1.171 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C(C)C ZINC001490830611 1075689279 /nfs/dbraw/zinc/68/92/79/1075689279.db2.gz ZHSBCOJTDKHTFX-KFWWJZLASA-N 1 0 381.477 -1.173 20 0 GAADRO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1)[NH+](C)C ZINC001490837184 1075724124 /nfs/dbraw/zinc/72/41/24/1075724124.db2.gz ARDBZJPYHXPPHL-OXHZDVMGSA-N 1 0 377.449 -1.035 20 0 GAADRO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1)[NH+](C)C ZINC001490837186 1075724141 /nfs/dbraw/zinc/72/41/41/1075724141.db2.gz ARDBZJPYHXPPHL-RFHZTLPTSA-N 1 0 377.449 -1.035 20 0 GAADRO CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1 ZINC001490842856 1075763604 /nfs/dbraw/zinc/76/36/04/1075763604.db2.gz UHLHEXZKGAEWEJ-BZPMIXESSA-N 1 0 377.449 -1.033 20 0 GAADRO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1 ZINC001490856412 1075786419 /nfs/dbraw/zinc/78/64/19/1075786419.db2.gz LMZYHYCIDVPTDF-BZPMIXESSA-N 1 0 377.449 -1.033 20 0 GAADRO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CNC(C)=O ZINC001490869279 1075801514 /nfs/dbraw/zinc/80/15/14/1075801514.db2.gz VKULLJLMISAZEG-KFWWJZLASA-N 1 0 381.477 -1.171 20 0 GAADRO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001492883431 1075246916 /nfs/dbraw/zinc/24/69/16/1075246916.db2.gz ANXKSMLSXURXGP-GOSISDBHSA-N 1 0 393.492 -1.174 20 0 GAADRO Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001492883437 1075246890 /nfs/dbraw/zinc/24/68/90/1075246890.db2.gz ANXKSMLSXURXGP-SFHVURJKSA-N 1 0 393.492 -1.174 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001492931828 1075247185 /nfs/dbraw/zinc/24/71/85/1075247185.db2.gz GDCDKDCWNXCJAA-CABCVRRESA-N 1 0 391.476 -1.420 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001492931829 1075247157 /nfs/dbraw/zinc/24/71/57/1075247157.db2.gz GDCDKDCWNXCJAA-GJZGRUSLSA-N 1 0 391.476 -1.420 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001492931830 1075247176 /nfs/dbraw/zinc/24/71/76/1075247176.db2.gz GDCDKDCWNXCJAA-HUUCEWRRSA-N 1 0 391.476 -1.420 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001492931831 1075247165 /nfs/dbraw/zinc/24/71/65/1075247165.db2.gz GDCDKDCWNXCJAA-LSDHHAIUSA-N 1 0 391.476 -1.420 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001492932774 1075247161 /nfs/dbraw/zinc/24/71/61/1075247161.db2.gz SFTNWGYPZPFMQR-DZGCQCFKSA-N 1 0 391.476 -1.298 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001492932790 1075247145 /nfs/dbraw/zinc/24/71/45/1075247145.db2.gz SFTNWGYPZPFMQR-HIFRSBDPSA-N 1 0 391.476 -1.298 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001492932791 1075247150 /nfs/dbraw/zinc/24/71/50/1075247150.db2.gz SFTNWGYPZPFMQR-UKRRQHHQSA-N 1 0 391.476 -1.298 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001492932794 1075247188 /nfs/dbraw/zinc/24/71/88/1075247188.db2.gz SFTNWGYPZPFMQR-ZFWWWQNUSA-N 1 0 391.476 -1.298 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001492934329 1075247153 /nfs/dbraw/zinc/24/71/53/1075247153.db2.gz ZIASLWBUNILZDP-HNNXBMFYSA-N 1 0 391.476 -1.154 20 0 GAADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001492934333 1075247398 /nfs/dbraw/zinc/24/73/98/1075247398.db2.gz ZIASLWBUNILZDP-OAHLLOKOSA-N 1 0 391.476 -1.154 20 0 GAADRO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001493639956 1075294689 /nfs/dbraw/zinc/29/46/89/1075294689.db2.gz FHZYRYPKGRMOBA-DUVNUKRYSA-N 1 0 380.445 -1.317 20 0 GAADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC(=O)N1C ZINC001494323012 1075294654 /nfs/dbraw/zinc/29/46/54/1075294654.db2.gz YKLGBAIDKHLTJP-FHSNZYRGSA-N 1 0 391.476 -1.037 20 0 GAADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC(=O)N1C ZINC001494323013 1075294685 /nfs/dbraw/zinc/29/46/85/1075294685.db2.gz YKLGBAIDKHLTJP-SNUQEOBHSA-N 1 0 391.476 -1.037 20 0 GAADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC(=O)N1C ZINC001494323014 1075294672 /nfs/dbraw/zinc/29/46/72/1075294672.db2.gz YKLGBAIDKHLTJP-VBHSOAQHSA-N 1 0 391.476 -1.037 20 0 GAADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC(=O)N1C ZINC001494323015 1075294665 /nfs/dbraw/zinc/29/46/65/1075294665.db2.gz YKLGBAIDKHLTJP-VFVRVIDISA-N 1 0 391.476 -1.037 20 0 GAADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001502065959 1075295431 /nfs/dbraw/zinc/29/54/31/1075295431.db2.gz BRWYXOQOEFJAMB-XUWVNRHRSA-N 1 0 382.461 -1.120 20 0 GAADRO 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JRWMQHCOADRVCP-LLVKDONJSA-N 1 0 388.432 -1.287 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573515257 946540571 /nfs/dbraw/zinc/54/05/71/946540571.db2.gz JRWMQHCOADRVCP-NSHDSACASA-N 1 0 388.432 -1.287 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515358 946543991 /nfs/dbraw/zinc/54/39/91/946543991.db2.gz LFPNYLDTZAXSCO-JTQLQIEISA-N 1 0 389.420 -1.757 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515360 946542833 /nfs/dbraw/zinc/54/28/33/946542833.db2.gz LFPNYLDTZAXSCO-SNVBAGLBSA-N 1 0 389.420 -1.757 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515427 946544194 /nfs/dbraw/zinc/54/41/94/946544194.db2.gz MJRNNPUJMYFTHU-JTQLQIEISA-N 1 0 389.420 -1.545 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515429 946543166 /nfs/dbraw/zinc/54/31/66/946543166.db2.gz MJRNNPUJMYFTHU-SNVBAGLBSA-N 1 0 389.420 -1.545 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573515487 946545865 /nfs/dbraw/zinc/54/58/65/946545865.db2.gz NBWNAFSCUYZDTM-LLVKDONJSA-N 1 0 388.432 -1.287 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573515489 946546183 /nfs/dbraw/zinc/54/61/83/946546183.db2.gz NBWNAFSCUYZDTM-NSHDSACASA-N 1 0 388.432 -1.287 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573515495 946545497 /nfs/dbraw/zinc/54/54/97/946545497.db2.gz NDYAMCNNIQFFMD-UHFFFAOYSA-N 1 0 388.432 -1.333 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573515505 946545338 /nfs/dbraw/zinc/54/53/38/946545338.db2.gz NFTBHTLKPYTOGE-UHFFFAOYSA-N 1 0 389.420 -1.885 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573515661 946548588 /nfs/dbraw/zinc/54/85/88/946548588.db2.gz OTVHGPNKSGKDLP-JTQLQIEISA-N 1 0 389.420 -1.839 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573515662 946548033 /nfs/dbraw/zinc/54/80/33/946548033.db2.gz OTVHGPNKSGKDLP-SNVBAGLBSA-N 1 0 389.420 -1.839 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573515796 946553209 /nfs/dbraw/zinc/55/32/09/946553209.db2.gz RMPZFZAVRDPBTJ-UHFFFAOYSA-N 1 0 389.420 -1.625 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515923 946554070 /nfs/dbraw/zinc/55/40/70/946554070.db2.gz SHDCCRYLHQIPBM-SECBINFHSA-N 1 0 375.393 -2.148 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515924 946553139 /nfs/dbraw/zinc/55/31/39/946553139.db2.gz SHDCCRYLHQIPBM-VIFPVBQESA-N 1 0 375.393 -2.148 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515959 946554722 /nfs/dbraw/zinc/55/47/22/946554722.db2.gz UBVXNSDQESYJIA-JTQLQIEISA-N 1 0 389.420 -1.805 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515960 946554905 /nfs/dbraw/zinc/55/49/05/946554905.db2.gz UBVXNSDQESYJIA-SNVBAGLBSA-N 1 0 389.420 -1.805 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515981 946553565 /nfs/dbraw/zinc/55/35/65/946553565.db2.gz UIUSQGUGSZFYLJ-NXEZZACHSA-N 1 0 389.420 -1.759 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515982 946553503 /nfs/dbraw/zinc/55/35/03/946553503.db2.gz UIUSQGUGSZFYLJ-UWVGGRQHSA-N 1 0 389.420 -1.759 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515983 946553241 /nfs/dbraw/zinc/55/32/41/946553241.db2.gz UIUSQGUGSZFYLJ-VHSXEESVSA-N 1 0 389.420 -1.759 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573515984 946554456 /nfs/dbraw/zinc/55/44/56/946554456.db2.gz UIUSQGUGSZFYLJ-ZJUUUORDSA-N 1 0 389.420 -1.759 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573516166 946557784 /nfs/dbraw/zinc/55/77/84/946557784.db2.gz VOIAXCFOGJEWNX-LLVKDONJSA-N 1 0 388.432 -1.287 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573516168 946557516 /nfs/dbraw/zinc/55/75/16/946557516.db2.gz VOIAXCFOGJEWNX-NSHDSACASA-N 1 0 388.432 -1.287 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N(C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573516185 946556466 /nfs/dbraw/zinc/55/64/66/946556466.db2.gz VUQIDEZAMXALMW-UHFFFAOYSA-N 1 0 389.420 -1.804 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573516188 946556940 /nfs/dbraw/zinc/55/69/40/946556940.db2.gz WAFFRAQMJTUSHE-LLVKDONJSA-N 1 0 388.432 -1.287 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573516279 946558952 /nfs/dbraw/zinc/55/89/52/946558952.db2.gz XEPVVFHOEMXZLE-LLVKDONJSA-N 1 0 387.404 -2.051 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573516280 946559353 /nfs/dbraw/zinc/55/93/53/946559353.db2.gz XEPVVFHOEMXZLE-NSHDSACASA-N 1 0 387.404 -2.051 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001573516343 946559029 /nfs/dbraw/zinc/55/90/29/946559029.db2.gz YAXWJXHIPUUVGP-UHFFFAOYSA-N 1 0 389.420 -1.591 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573516347 946558970 /nfs/dbraw/zinc/55/89/70/946558970.db2.gz YCHFUAMKZQARNT-JTQLQIEISA-N 1 0 389.420 -1.805 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573516351 946558769 /nfs/dbraw/zinc/55/87/69/946558769.db2.gz YCHFUAMKZQARNT-SNVBAGLBSA-N 1 0 389.420 -1.805 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573516410 946562692 /nfs/dbraw/zinc/56/26/92/946562692.db2.gz YXJRLRRNOCHIGI-UHFFFAOYSA-N 1 0 388.432 -1.333 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001573516430 946563020 /nfs/dbraw/zinc/56/30/20/946563020.db2.gz ZOHRYTLXQLOEQA-UHFFFAOYSA-N 1 0 375.393 -1.934 20 0 GAADRO CC(=O)NCC(=O)NCC[NH+]1CCC(Nc2nccnc2-c2nn[nH]n2)CC1 ZINC001573520044 946590949 /nfs/dbraw/zinc/59/09/49/946590949.db2.gz AUSCIWPVUFWRKP-UHFFFAOYSA-N 1 0 388.436 -1.215 20 0 GAADRO CC(=O)NCC(=O)NCC[NH+]1CCC(Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001573520119 946592421 /nfs/dbraw/zinc/59/24/21/946592421.db2.gz DLNOAIRASLFKKS-UHFFFAOYSA-N 1 0 388.436 -1.215 20 0 GAADRO CC(=O)NCC(=O)NCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001573520607 946597838 /nfs/dbraw/zinc/59/78/38/946597838.db2.gz MCTIVUKMDNNIMD-UHFFFAOYSA-N 1 0 388.436 -1.215 20 0 GAADRO CC(=O)NCC(=O)NCC[NH+]1CCC(Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001573521129 946602942 /nfs/dbraw/zinc/60/29/42/946602942.db2.gz RANCDYOSBGCFCP-UHFFFAOYSA-N 1 0 388.436 -1.215 20 0 GAADRO CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573527873 946650343 /nfs/dbraw/zinc/65/03/43/946650343.db2.gz KKXYRVZYNGORQN-LLVKDONJSA-N 1 0 376.421 -1.265 20 0 GAADRO CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573527874 946650683 /nfs/dbraw/zinc/65/06/83/946650683.db2.gz KKXYRVZYNGORQN-NSHDSACASA-N 1 0 376.421 -1.265 20 0 GAADRO CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573527943 946650982 /nfs/dbraw/zinc/65/09/82/946650982.db2.gz MLCGRDNCTBNNME-LLVKDONJSA-N 1 0 376.421 -1.265 20 0 GAADRO CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573527944 946652853 /nfs/dbraw/zinc/65/28/53/946652853.db2.gz MLCGRDNCTBNNME-NSHDSACASA-N 1 0 376.421 -1.265 20 0 GAADRO CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573536110 946729185 /nfs/dbraw/zinc/72/91/85/946729185.db2.gz PHSSZQYJKVQPIM-BXUZGUMPSA-N 1 0 376.421 -1.267 20 0 GAADRO CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573536112 946731058 /nfs/dbraw/zinc/73/10/58/946731058.db2.gz PHSSZQYJKVQPIM-SMDDNHRTSA-N 1 0 376.421 -1.267 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O ZINC001573537426 946747456 /nfs/dbraw/zinc/74/74/56/946747456.db2.gz AKVUCSXDRKSSTF-HZMBPMFUSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O ZINC001573537427 946747855 /nfs/dbraw/zinc/74/78/55/946747855.db2.gz AKVUCSXDRKSSTF-YGRLFVJLSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(N)=O ZINC001573537499 946749419 /nfs/dbraw/zinc/74/94/19/946749419.db2.gz DMQAHXSSNBTJGI-AWEZNQCLSA-N 1 0 388.432 -1.205 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(N)=O ZINC001573537614 946752219 /nfs/dbraw/zinc/75/22/19/946752219.db2.gz HAIJAWWJPPNQAA-YGRLFVJLSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(N)=O ZINC001573537625 946755866 /nfs/dbraw/zinc/75/58/66/946755866.db2.gz HOZJSTCNDPWECO-HZMBPMFUSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(N)=O ZINC001573537626 946756400 /nfs/dbraw/zinc/75/64/00/946756400.db2.gz HOZJSTCNDPWECO-YGRLFVJLSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(N)=O ZINC001573537743 946757129 /nfs/dbraw/zinc/75/71/29/946757129.db2.gz KKVNDLICEZFHMF-HZMBPMFUSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(N)=O ZINC001573537923 946759634 /nfs/dbraw/zinc/75/96/34/946759634.db2.gz MZLAWGXTEJHTKU-JTQLQIEISA-N 1 0 380.434 -1.486 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(N)=O ZINC001573537933 946760043 /nfs/dbraw/zinc/76/00/43/946760043.db2.gz NFVJHBWTOYVKOF-HZMBPMFUSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(N)=O ZINC001573537934 946759839 /nfs/dbraw/zinc/75/98/39/946759839.db2.gz NFVJHBWTOYVKOF-YGRLFVJLSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O ZINC001573538007 946759658 /nfs/dbraw/zinc/75/96/58/946759658.db2.gz OOCDKMULYKBDLV-AWEZNQCLSA-N 1 0 388.432 -1.205 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O ZINC001573538250 946766227 /nfs/dbraw/zinc/76/62/27/946766227.db2.gz QZUAVYAQSZNYBG-HZMBPMFUSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O ZINC001573538251 946764828 /nfs/dbraw/zinc/76/48/28/946764828.db2.gz QZUAVYAQSZNYBG-YGRLFVJLSA-N 1 0 388.432 -1.159 20 0 GAADRO CC(=O)N[C@@H](CC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(N)=O ZINC001573538655 946772782 /nfs/dbraw/zinc/77/27/82/946772782.db2.gz ZQIPQCGDJBIYED-LBPRGKRZSA-N 1 0 389.420 -1.464 20 0 GAADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573593056 947361547 /nfs/dbraw/zinc/36/15/47/947361547.db2.gz HZVMDFBVHVPSDS-HWPZZCPQSA-N 1 0 376.421 -1.162 20 0 GAADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573593058 947361018 /nfs/dbraw/zinc/36/10/18/947361018.db2.gz HZVMDFBVHVPSDS-MGPLVRAMSA-N 1 0 376.421 -1.162 20 0 GAADRO 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C[C@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCC(=O)N1 ZINC001573607795 947552684 /nfs/dbraw/zinc/55/26/84/947552684.db2.gz RKQQCDCYLRHAJL-WCQYABFASA-N 1 0 388.432 -1.169 20 0 GAADRO C[C@@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001573607796 947553873 /nfs/dbraw/zinc/55/38/73/947553873.db2.gz RKQQCDCYLRHAJL-YPMHNXCESA-N 1 0 388.432 -1.169 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 ZINC001573655985 947983107 /nfs/dbraw/zinc/98/31/07/947983107.db2.gz ATAMTLIPULQCMM-IEBDPFPHSA-N 1 0 387.404 -1.218 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 ZINC001573655986 947984482 /nfs/dbraw/zinc/98/44/82/947984482.db2.gz ATAMTLIPULQCMM-INTQDDNPSA-N 1 0 387.404 -1.218 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573657043 947996351 /nfs/dbraw/zinc/99/63/51/947996351.db2.gz JYCMQJFYQDKOJD-BDAKNGLRSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573657044 947996631 /nfs/dbraw/zinc/99/66/31/947996631.db2.gz JYCMQJFYQDKOJD-DTWKUNHWSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573657045 947997206 /nfs/dbraw/zinc/99/72/06/947997206.db2.gz JYCMQJFYQDKOJD-IUCAKERBSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573657046 947996567 /nfs/dbraw/zinc/99/65/67/947996567.db2.gz JYCMQJFYQDKOJD-RKDXNWHRSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573657644 948003226 /nfs/dbraw/zinc/00/32/26/948003226.db2.gz NWWCTARRLJPIHJ-PSASIEDQSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573657645 948003448 /nfs/dbraw/zinc/00/34/48/948003448.db2.gz NWWCTARRLJPIHJ-SCZZXKLOSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573657646 948003268 /nfs/dbraw/zinc/00/32/68/948003268.db2.gz NWWCTARRLJPIHJ-WCBMZHEXSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573657647 948002358 /nfs/dbraw/zinc/00/23/58/948002358.db2.gz NWWCTARRLJPIHJ-WPRPVWTQSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001573658285 948009030 /nfs/dbraw/zinc/00/90/30/948009030.db2.gz RSRVQWSARMFUBY-SECBINFHSA-N 1 0 387.404 -1.074 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001573658289 948009436 /nfs/dbraw/zinc/00/94/36/948009436.db2.gz RSRVQWSARMFUBY-VIFPVBQESA-N 1 0 387.404 -1.074 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658858 948012272 /nfs/dbraw/zinc/01/22/72/948012272.db2.gz TYIPHUZVMAICOD-PSASIEDQSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658859 948011849 /nfs/dbraw/zinc/01/18/49/948011849.db2.gz TYIPHUZVMAICOD-SCZZXKLOSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658860 948011722 /nfs/dbraw/zinc/01/17/22/948011722.db2.gz TYIPHUZVMAICOD-WCBMZHEXSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658862 948012603 /nfs/dbraw/zinc/01/26/03/948012603.db2.gz TYIPHUZVMAICOD-WPRPVWTQSA-N 1 0 375.393 -1.076 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001573659516 948016252 /nfs/dbraw/zinc/01/62/52/948016252.db2.gz WJSOMHGVWDGNAO-SECBINFHSA-N 1 0 387.404 -1.074 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001573659520 948016282 /nfs/dbraw/zinc/01/62/82/948016282.db2.gz WJSOMHGVWDGNAO-VIFPVBQESA-N 1 0 387.404 -1.074 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 ZINC001573660101 948018680 /nfs/dbraw/zinc/01/86/80/948018680.db2.gz YTYWYAOGWXCIBW-BBBLOLIVSA-N 1 0 387.404 -1.218 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 ZINC001573660102 948018506 /nfs/dbraw/zinc/01/85/06/948018506.db2.gz YTYWYAOGWXCIBW-LPEHRKFASA-N 1 0 387.404 -1.218 20 0 GAADRO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1 ZINC001573660105 948017552 /nfs/dbraw/zinc/01/75/52/948017552.db2.gz YUWKATGUJLPGBF-IEBDPFPHSA-N 1 0 387.404 -1.218 20 0 GAADRO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1 ZINC001573660106 948020857 /nfs/dbraw/zinc/02/08/57/948020857.db2.gz YUWKATGUJLPGBF-INTQDDNPSA-N 1 0 387.404 -1.218 20 0 GAADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)S(C)(=O)=O ZINC001573679668 948166491 /nfs/dbraw/zinc/16/64/91/948166491.db2.gz JDMFTYFPDOYALN-BDAKNGLRSA-N 1 0 388.475 -1.072 20 0 GAADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)S(C)(=O)=O ZINC001573679669 948166027 /nfs/dbraw/zinc/16/60/27/948166027.db2.gz JDMFTYFPDOYALN-DTWKUNHWSA-N 1 0 388.475 -1.072 20 0 GAADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)S(C)(=O)=O ZINC001573679670 948165960 /nfs/dbraw/zinc/16/59/60/948165960.db2.gz JDMFTYFPDOYALN-IUCAKERBSA-N 1 0 388.475 -1.072 20 0 GAADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)S(C)(=O)=O ZINC001573679671 948166314 /nfs/dbraw/zinc/16/63/14/948166314.db2.gz JDMFTYFPDOYALN-RKDXNWHRSA-N 1 0 388.475 -1.072 20 0 GAADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573680025 948171966 /nfs/dbraw/zinc/17/19/66/948171966.db2.gz LNSRWWWYJQFRFG-GWCFXTLKSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573680030 948171670 /nfs/dbraw/zinc/17/16/70/948171670.db2.gz LNSRWWWYJQFRFG-GXFFZTMASA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573680032 948171407 /nfs/dbraw/zinc/17/14/07/948171407.db2.gz LNSRWWWYJQFRFG-MFKMUULPSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573680033 948170777 /nfs/dbraw/zinc/17/07/77/948170777.db2.gz LNSRWWWYJQFRFG-ZWNOBZJWSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573681347 948202026 /nfs/dbraw/zinc/20/20/26/948202026.db2.gz VCWVDTHOCXZWMA-GWCFXTLKSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573681349 948201235 /nfs/dbraw/zinc/20/12/35/948201235.db2.gz VCWVDTHOCXZWMA-GXFFZTMASA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573681351 948201794 /nfs/dbraw/zinc/20/17/94/948201794.db2.gz VCWVDTHOCXZWMA-MFKMUULPSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573681353 948201127 /nfs/dbraw/zinc/20/11/27/948201127.db2.gz VCWVDTHOCXZWMA-ZWNOBZJWSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573681580 948208974 /nfs/dbraw/zinc/20/89/74/948208974.db2.gz WOQMVXIQADBVCR-CMPLNLGQSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573681581 948207586 /nfs/dbraw/zinc/20/75/86/948207586.db2.gz WOQMVXIQADBVCR-JQWIXIFHSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573681582 948207466 /nfs/dbraw/zinc/20/74/66/948207466.db2.gz WOQMVXIQADBVCR-PWSUYJOCSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573681583 948207688 /nfs/dbraw/zinc/20/76/88/948207688.db2.gz WOQMVXIQADBVCR-ZYHUDNBSSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573689890 948218181 /nfs/dbraw/zinc/21/81/81/948218181.db2.gz ABIJCTUFHGCTLA-GWCFXTLKSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573689891 948218106 /nfs/dbraw/zinc/21/81/06/948218106.db2.gz ABIJCTUFHGCTLA-GXFFZTMASA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573689892 948219429 /nfs/dbraw/zinc/21/94/29/948219429.db2.gz ABIJCTUFHGCTLA-MFKMUULPSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC001573689893 948218977 /nfs/dbraw/zinc/21/89/77/948218977.db2.gz ABIJCTUFHGCTLA-ZWNOBZJWSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)S(C)(=O)=O ZINC001573690280 948222816 /nfs/dbraw/zinc/22/28/16/948222816.db2.gz CKILLBXLBLLWBF-BDAKNGLRSA-N 1 0 388.475 -1.072 20 0 GAADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)S(C)(=O)=O ZINC001573690281 948224126 /nfs/dbraw/zinc/22/41/26/948224126.db2.gz CKILLBXLBLLWBF-DTWKUNHWSA-N 1 0 388.475 -1.072 20 0 GAADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)S(C)(=O)=O ZINC001573690282 948224251 /nfs/dbraw/zinc/22/42/51/948224251.db2.gz CKILLBXLBLLWBF-IUCAKERBSA-N 1 0 388.475 -1.072 20 0 GAADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)S(C)(=O)=O ZINC001573690283 948222394 /nfs/dbraw/zinc/22/23/94/948222394.db2.gz CKILLBXLBLLWBF-RKDXNWHRSA-N 1 0 388.475 -1.072 20 0 GAADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573692081 948253784 /nfs/dbraw/zinc/25/37/84/948253784.db2.gz MJTADEFOJBKHIS-CMPLNLGQSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573692083 948254753 /nfs/dbraw/zinc/25/47/53/948254753.db2.gz MJTADEFOJBKHIS-JQWIXIFHSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573692085 948254066 /nfs/dbraw/zinc/25/40/66/948254066.db2.gz MJTADEFOJBKHIS-PWSUYJOCSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573692131 948255711 /nfs/dbraw/zinc/25/57/11/948255711.db2.gz MJTADEFOJBKHIS-ZYHUDNBSSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573692630 948268688 /nfs/dbraw/zinc/26/86/88/948268688.db2.gz QEALSLWDLRAWRR-GWCFXTLKSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573692632 948269009 /nfs/dbraw/zinc/26/90/09/948269009.db2.gz QEALSLWDLRAWRR-GXFFZTMASA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573692634 948269866 /nfs/dbraw/zinc/26/98/66/948269866.db2.gz QEALSLWDLRAWRR-MFKMUULPSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573692636 948269996 /nfs/dbraw/zinc/26/99/96/948269996.db2.gz QEALSLWDLRAWRR-ZWNOBZJWSA-N 1 0 382.446 -1.134 20 0 GAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754271 948739773 /nfs/dbraw/zinc/73/97/73/948739773.db2.gz DJJXVQFRQROIAW-AAEUAGOBSA-N 1 0 387.448 -1.099 20 0 GAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754273 948739110 /nfs/dbraw/zinc/73/91/10/948739110.db2.gz DJJXVQFRQROIAW-DGCLKSJQSA-N 1 0 387.448 -1.099 20 0 GAADRO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754275 948739402 /nfs/dbraw/zinc/73/94/02/948739402.db2.gz DJJXVQFRQROIAW-WCQYABFASA-N 1 0 387.448 -1.099 20 0 GAADRO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754277 948740161 /nfs/dbraw/zinc/74/01/61/948740161.db2.gz DJJXVQFRQROIAW-YPMHNXCESA-N 1 0 387.448 -1.099 20 0 GAADRO 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948988065 /nfs/dbraw/zinc/98/80/65/948988065.db2.gz IOMRZRXKDVMIMS-SNVBAGLBSA-N 1 0 387.404 -1.258 20 0 GAADRO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926276 948993637 /nfs/dbraw/zinc/99/36/37/948993637.db2.gz MKEMLMUWZHPMGC-JTQLQIEISA-N 1 0 387.404 -1.210 20 0 GAADRO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926277 948993278 /nfs/dbraw/zinc/99/32/78/948993278.db2.gz MKEMLMUWZHPMGC-SNVBAGLBSA-N 1 0 387.404 -1.210 20 0 GAADRO C[C@@H](CNC(=O)CN1CCCS1(=O)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926928 949032581 /nfs/dbraw/zinc/03/25/81/949032581.db2.gz DCDRERGTKVCKOG-JTQLQIEISA-N 1 0 380.434 -1.364 20 0 GAADRO C[C@H](CNC(=O)CN1CCCS1(=O)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926930 949031186 /nfs/dbraw/zinc/03/11/86/949031186.db2.gz DCDRERGTKVCKOG-SNVBAGLBSA-N 1 0 380.434 -1.364 20 0 GAADRO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926998 949035723 /nfs/dbraw/zinc/03/57/23/949035723.db2.gz FMYPZRKXBDJCJY-GFCCVEGCSA-N 1 0 387.448 -1.378 20 0 GAADRO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926999 949035507 /nfs/dbraw/zinc/03/55/07/949035507.db2.gz FMYPZRKXBDJCJY-LBPRGKRZSA-N 1 0 387.448 -1.378 20 0 GAADRO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574928949 949068889 /nfs/dbraw/zinc/06/88/89/949068889.db2.gz UGRQOJZNUWEGPN-JTQLQIEISA-N 1 0 378.462 -1.046 20 0 GAADRO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574928950 949068388 /nfs/dbraw/zinc/06/83/88/949068388.db2.gz UGRQOJZNUWEGPN-SNVBAGLBSA-N 1 0 378.462 -1.046 20 0 GAADRO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574928957 949067364 /nfs/dbraw/zinc/06/73/64/949067364.db2.gz UJNAKZOLKCSWRH-GFCCVEGCSA-N 1 0 387.448 -1.023 20 0 GAADRO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574928958 949070200 /nfs/dbraw/zinc/07/02/00/949070200.db2.gz UJNAKZOLKCSWRH-LBPRGKRZSA-N 1 0 387.448 -1.023 20 0 GAADRO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934834 949179194 /nfs/dbraw/zinc/17/91/94/949179194.db2.gz SCUMFQCWVIBTPG-JTQLQIEISA-N 1 0 382.450 -1.261 20 0 GAADRO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934835 949180253 /nfs/dbraw/zinc/18/02/53/949180253.db2.gz SCUMFQCWVIBTPG-SNVBAGLBSA-N 1 0 382.450 -1.261 20 0 GAADRO C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574947393 949442732 /nfs/dbraw/zinc/44/27/32/949442732.db2.gz AGBSRBSYBCZNNH-JTQLQIEISA-N 1 0 385.388 -1.839 20 0 GAADRO C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574947395 949443564 /nfs/dbraw/zinc/44/35/64/949443564.db2.gz AGBSRBSYBCZNNH-SNVBAGLBSA-N 1 0 385.388 -1.839 20 0 GAADRO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574948481 949463392 /nfs/dbraw/zinc/46/33/92/949463392.db2.gz JPVRCJDOUNOQER-JTQLQIEISA-N 1 0 385.388 -1.190 20 0 GAADRO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574948482 949463177 /nfs/dbraw/zinc/46/31/77/949463177.db2.gz JPVRCJDOUNOQER-SNVBAGLBSA-N 1 0 385.388 -1.190 20 0 GAADRO C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574948512 949468724 /nfs/dbraw/zinc/46/87/24/949468724.db2.gz KTJZFBRWYVBGTJ-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574948515 949465937 /nfs/dbraw/zinc/46/59/37/949465937.db2.gz KTJZFBRWYVBGTJ-SNVBAGLBSA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948591 949466154 /nfs/dbraw/zinc/46/61/54/949466154.db2.gz LLIQKCVJANMREG-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948594 949466257 /nfs/dbraw/zinc/46/62/57/949466257.db2.gz LLIQKCVJANMREG-SNVBAGLBSA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574949290 949485079 /nfs/dbraw/zinc/48/50/79/949485079.db2.gz SGUDEWPETNFEGN-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574949291 949484020 /nfs/dbraw/zinc/48/40/20/949484020.db2.gz SGUDEWPETNFEGN-SNVBAGLBSA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958507 949675856 /nfs/dbraw/zinc/67/58/56/949675856.db2.gz SAJAKCLCOMEINJ-RNCFNFMXSA-N 1 0 382.388 -1.021 20 0 GAADRO C[C@@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958509 949676914 /nfs/dbraw/zinc/67/69/14/949676914.db2.gz SAJAKCLCOMEINJ-ZANVPECISA-N 1 0 382.388 -1.021 20 0 GAADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCN1CCCS1(=O)=O ZINC001574976985 950110265 /nfs/dbraw/zinc/11/02/65/950110265.db2.gz DUJBKJDRQUBEDK-JTQLQIEISA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCN1CCCS1(=O)=O ZINC001574976986 950110501 /nfs/dbraw/zinc/11/05/01/950110501.db2.gz DUJBKJDRQUBEDK-SNVBAGLBSA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574977591 950120928 /nfs/dbraw/zinc/12/09/28/950120928.db2.gz MBHAESKZZSRTSL-JQWIXIFHSA-N 1 0 376.421 -1.114 20 0 GAADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574977592 950120464 /nfs/dbraw/zinc/12/04/64/950120464.db2.gz MBHAESKZZSRTSL-PWSUYJOCSA-N 1 0 376.421 -1.114 20 0 GAADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001574977816 950125713 /nfs/dbraw/zinc/12/57/13/950125713.db2.gz OCDWLTPDADMQHL-SECBINFHSA-N 1 0 387.404 -1.500 20 0 GAADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001574977818 950124980 /nfs/dbraw/zinc/12/49/80/950124980.db2.gz OCDWLTPDADMQHL-VIFPVBQESA-N 1 0 387.404 -1.500 20 0 GAADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001574978071 950128456 /nfs/dbraw/zinc/12/84/56/950128456.db2.gz QHJFYMRYOBISBS-MRVPVSSYSA-N 1 0 375.393 -1.109 20 0 GAADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001574978072 950130212 /nfs/dbraw/zinc/13/02/12/950130212.db2.gz QHJFYMRYOBISBS-QMMMGPOBSA-N 1 0 375.393 -1.109 20 0 GAADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001574978127 950133245 /nfs/dbraw/zinc/13/32/45/950133245.db2.gz QYOMAUZYDZJYJI-NXEZZACHSA-N 1 0 391.436 -1.504 20 0 GAADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001574978128 950133056 /nfs/dbraw/zinc/13/30/56/950133056.db2.gz QYOMAUZYDZJYJI-UWVGGRQHSA-N 1 0 391.436 -1.504 20 0 GAADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001574978130 950135577 /nfs/dbraw/zinc/13/55/77/950135577.db2.gz QYOMAUZYDZJYJI-VHSXEESVSA-N 1 0 391.436 -1.504 20 0 GAADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001574978132 950132820 /nfs/dbraw/zinc/13/28/20/950132820.db2.gz QYOMAUZYDZJYJI-ZJUUUORDSA-N 1 0 391.436 -1.504 20 0 GAADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001574979340 950150951 /nfs/dbraw/zinc/15/09/51/950150951.db2.gz YMSXOCAIKNHPGZ-SECBINFHSA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001574979341 950152387 /nfs/dbraw/zinc/15/23/87/950152387.db2.gz YMSXOCAIKNHPGZ-VIFPVBQESA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001574989447 950368157 /nfs/dbraw/zinc/36/81/57/950368157.db2.gz ZHZMGNPLHXGXEB-SECBINFHSA-N 1 0 375.393 -1.203 20 0 GAADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001574989449 950365118 /nfs/dbraw/zinc/36/51/18/950365118.db2.gz ZHZMGNPLHXGXEB-VIFPVBQESA-N 1 0 375.393 -1.203 20 0 GAADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001574992451 950449765 /nfs/dbraw/zinc/44/97/65/950449765.db2.gz CQEHBSFAQPDWHR-NXEZZACHSA-N 1 0 391.436 -1.504 20 0 GAADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001574992452 950450872 /nfs/dbraw/zinc/45/08/72/950450872.db2.gz CQEHBSFAQPDWHR-UWVGGRQHSA-N 1 0 391.436 -1.504 20 0 GAADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001574992453 950448299 /nfs/dbraw/zinc/44/82/99/950448299.db2.gz CQEHBSFAQPDWHR-VHSXEESVSA-N 1 0 391.436 -1.504 20 0 GAADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001574992454 950452071 /nfs/dbraw/zinc/45/20/71/950452071.db2.gz CQEHBSFAQPDWHR-ZJUUUORDSA-N 1 0 391.436 -1.504 20 0 GAADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001574992511 950450010 /nfs/dbraw/zinc/45/00/10/950450010.db2.gz FDMORXKXFGTTHG-SECBINFHSA-N 1 0 387.404 -1.500 20 0 GAADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001574992512 950450543 /nfs/dbraw/zinc/45/05/43/950450543.db2.gz FDMORXKXFGTTHG-VIFPVBQESA-N 1 0 387.404 -1.500 20 0 GAADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCN1CCCS1(=O)=O ZINC001574993648 950467199 /nfs/dbraw/zinc/46/71/99/950467199.db2.gz LXQQFIZEBQARPK-JTQLQIEISA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCN1CCCS1(=O)=O ZINC001574993649 950466024 /nfs/dbraw/zinc/46/60/24/950466024.db2.gz LXQQFIZEBQARPK-SNVBAGLBSA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001574994550 950484576 /nfs/dbraw/zinc/48/45/76/950484576.db2.gz UBDYKOHSRQDCIR-MRVPVSSYSA-N 1 0 375.393 -1.109 20 0 GAADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001574994551 950486429 /nfs/dbraw/zinc/48/64/29/950486429.db2.gz UBDYKOHSRQDCIR-QMMMGPOBSA-N 1 0 375.393 -1.109 20 0 GAADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001574994669 950493485 /nfs/dbraw/zinc/49/34/85/950493485.db2.gz WOAHLIZPQMMJFS-SECBINFHSA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001574994670 950492572 /nfs/dbraw/zinc/49/25/72/950492572.db2.gz WOAHLIZPQMMJFS-VIFPVBQESA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001575016807 950959512 /nfs/dbraw/zinc/95/95/12/950959512.db2.gz AFCAQIMCZRRDGB-SECBINFHSA-N 1 0 387.404 -1.500 20 0 GAADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001575016808 950959156 /nfs/dbraw/zinc/95/91/56/950959156.db2.gz AFCAQIMCZRRDGB-VIFPVBQESA-N 1 0 387.404 -1.500 20 0 GAADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCN1CCCS1(=O)=O ZINC001575016831 950958997 /nfs/dbraw/zinc/95/89/97/950958997.db2.gz AMMBGOBJRRBZLB-JTQLQIEISA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCN1CCCS1(=O)=O ZINC001575016832 950960504 /nfs/dbraw/zinc/96/05/04/950960504.db2.gz AMMBGOBJRRBZLB-SNVBAGLBSA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575016841 950959933 /nfs/dbraw/zinc/95/99/33/950959933.db2.gz ASAZCYUDNHOIGJ-SECBINFHSA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575016842 950960343 /nfs/dbraw/zinc/96/03/43/950960343.db2.gz ASAZCYUDNHOIGJ-VIFPVBQESA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001575017047 950971823 /nfs/dbraw/zinc/97/18/23/950971823.db2.gz GLOZBWUESILLIF-NXEZZACHSA-N 1 0 390.404 -1.587 20 0 GAADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001575017048 950973057 /nfs/dbraw/zinc/97/30/57/950973057.db2.gz GLOZBWUESILLIF-UWVGGRQHSA-N 1 0 390.404 -1.587 20 0 GAADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001575017049 950971310 /nfs/dbraw/zinc/97/13/10/950971310.db2.gz GLOZBWUESILLIF-VHSXEESVSA-N 1 0 390.404 -1.587 20 0 GAADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001575017050 950974317 /nfs/dbraw/zinc/97/43/17/950974317.db2.gz GLOZBWUESILLIF-ZJUUUORDSA-N 1 0 390.404 -1.587 20 0 GAADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575018306 951019744 /nfs/dbraw/zinc/01/97/44/951019744.db2.gz PHNRDTCLUDDMNO-MNOVXSKESA-N 1 0 376.421 -1.114 20 0 GAADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575018308 951019153 /nfs/dbraw/zinc/01/91/53/951019153.db2.gz PHNRDTCLUDDMNO-QWRGUYRKSA-N 1 0 376.421 -1.114 20 0 GAADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575020445 951057091 /nfs/dbraw/zinc/05/70/91/951057091.db2.gz ZOVGWEQFOUYSJJ-MRVPVSSYSA-N 1 0 375.393 -1.109 20 0 GAADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575020447 951058231 /nfs/dbraw/zinc/05/82/31/951058231.db2.gz ZOVGWEQFOUYSJJ-QMMMGPOBSA-N 1 0 375.393 -1.109 20 0 GAADRO C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575041693 951348694 /nfs/dbraw/zinc/34/86/94/951348694.db2.gz AINPTCLMAKXMEC-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575041694 951348600 /nfs/dbraw/zinc/34/86/00/951348600.db2.gz AINPTCLMAKXMEC-SNVBAGLBSA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575041957 951353214 /nfs/dbraw/zinc/35/32/14/951353214.db2.gz DVNQXRLVLQMOCJ-MRVPVSSYSA-N 1 0 390.433 -1.087 20 0 GAADRO C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575041958 951353081 /nfs/dbraw/zinc/35/30/81/951353081.db2.gz DVNQXRLVLQMOCJ-QMMMGPOBSA-N 1 0 390.433 -1.087 20 0 GAADRO C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575042383 951363996 /nfs/dbraw/zinc/36/39/96/951363996.db2.gz ITIKJCWKIHPFBX-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575042385 951362826 /nfs/dbraw/zinc/36/28/26/951362826.db2.gz ITIKJCWKIHPFBX-SNVBAGLBSA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575043484 951394472 /nfs/dbraw/zinc/39/44/72/951394472.db2.gz RVWLAIHYYWCZCO-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575043485 951392029 /nfs/dbraw/zinc/39/20/29/951392029.db2.gz RVWLAIHYYWCZCO-SNVBAGLBSA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575043963 951406391 /nfs/dbraw/zinc/40/63/91/951406391.db2.gz XJEYCPKUXFWLLO-SECBINFHSA-N 1 0 385.388 -1.689 20 0 GAADRO C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575043966 951404966 /nfs/dbraw/zinc/40/49/66/951404966.db2.gz XJEYCPKUXFWLLO-VIFPVBQESA-N 1 0 385.388 -1.689 20 0 GAADRO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044293 951412482 /nfs/dbraw/zinc/41/24/82/951412482.db2.gz YRWAUTCDYFVJSG-SECBINFHSA-N 1 0 385.388 -1.039 20 0 GAADRO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044313 951413965 /nfs/dbraw/zinc/41/39/65/951413965.db2.gz YRWAUTCDYFVJSG-VIFPVBQESA-N 1 0 385.388 -1.039 20 0 GAADRO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575068552 951634249 /nfs/dbraw/zinc/63/42/49/951634249.db2.gz ANUJHKXTDDJJRG-JTQLQIEISA-N 1 0 389.420 -1.797 20 0 GAADRO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575068553 951633892 /nfs/dbraw/zinc/63/38/92/951633892.db2.gz ANUJHKXTDDJJRG-SNVBAGLBSA-N 1 0 389.420 -1.797 20 0 GAADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575068612 951635798 /nfs/dbraw/zinc/63/57/98/951635798.db2.gz CFJUCDPVHIOMHE-JTQLQIEISA-N 1 0 389.420 -1.891 20 0 GAADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575068613 951635732 /nfs/dbraw/zinc/63/57/32/951635732.db2.gz CFJUCDPVHIOMHE-SNVBAGLBSA-N 1 0 389.420 -1.891 20 0 GAADRO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575069064 951640499 /nfs/dbraw/zinc/64/04/99/951640499.db2.gz FWQUTTPBCNIFNQ-JTQLQIEISA-N 1 0 389.420 -1.797 20 0 GAADRO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575069066 951640726 /nfs/dbraw/zinc/64/07/26/951640726.db2.gz FWQUTTPBCNIFNQ-SNVBAGLBSA-N 1 0 389.420 -1.797 20 0 GAADRO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575069192 951641822 /nfs/dbraw/zinc/64/18/22/951641822.db2.gz HFFUFHMTLTYRBO-JTQLQIEISA-N 1 0 389.420 -1.797 20 0 GAADRO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575069193 951642135 /nfs/dbraw/zinc/64/21/35/951642135.db2.gz HFFUFHMTLTYRBO-SNVBAGLBSA-N 1 0 389.420 -1.797 20 0 GAADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575069333 951642697 /nfs/dbraw/zinc/64/26/97/951642697.db2.gz HVSZXLMPGGUUMS-JTQLQIEISA-N 1 0 389.420 -1.891 20 0 GAADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575069335 951642338 /nfs/dbraw/zinc/64/23/38/951642338.db2.gz HVSZXLMPGGUUMS-SNVBAGLBSA-N 1 0 389.420 -1.891 20 0 GAADRO C[C@@H](C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575070169 951648856 /nfs/dbraw/zinc/64/88/56/951648856.db2.gz OSQXYPCMBQZPPL-GXSJLCMTSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575070170 951648145 /nfs/dbraw/zinc/64/81/45/951648145.db2.gz OSQXYPCMBQZPPL-KOLCDFICSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575070171 951649341 /nfs/dbraw/zinc/64/93/41/951649341.db2.gz OSQXYPCMBQZPPL-MWLCHTKSSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@@H](C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575070172 951648164 /nfs/dbraw/zinc/64/81/64/951648164.db2.gz OSQXYPCMBQZPPL-ONGXEEELSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@@H](C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575070211 951650026 /nfs/dbraw/zinc/65/00/26/951650026.db2.gz PHJFLDOUJKWCEQ-GXSJLCMTSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575070212 951650330 /nfs/dbraw/zinc/65/03/30/951650330.db2.gz PHJFLDOUJKWCEQ-KOLCDFICSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575070213 951649909 /nfs/dbraw/zinc/64/99/09/951649909.db2.gz PHJFLDOUJKWCEQ-MWLCHTKSSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@@H](C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575070214 951650608 /nfs/dbraw/zinc/65/06/08/951650608.db2.gz PHJFLDOUJKWCEQ-ONGXEEELSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575070219 951650997 /nfs/dbraw/zinc/65/09/97/951650997.db2.gz PJZHTAOTMHKYNC-JTQLQIEISA-N 1 0 389.420 -1.891 20 0 GAADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001575070220 951650581 /nfs/dbraw/zinc/65/05/81/951650581.db2.gz PJZHTAOTMHKYNC-SNVBAGLBSA-N 1 0 389.420 -1.891 20 0 GAADRO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077086 951660925 /nfs/dbraw/zinc/66/09/25/951660925.db2.gz BXDMCOLGPUCGCK-SECBINFHSA-N 1 0 375.393 -1.203 20 0 GAADRO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077087 951660091 /nfs/dbraw/zinc/66/00/91/951660091.db2.gz BXDMCOLGPUCGCK-VIFPVBQESA-N 1 0 375.393 -1.203 20 0 GAADRO C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575079201 951688870 /nfs/dbraw/zinc/68/88/70/951688870.db2.gz MBGRJLIKXVNIGB-GXSJLCMTSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575079203 951689056 /nfs/dbraw/zinc/68/90/56/951689056.db2.gz MBGRJLIKXVNIGB-KOLCDFICSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575079205 951689506 /nfs/dbraw/zinc/68/95/06/951689506.db2.gz MBGRJLIKXVNIGB-MWLCHTKSSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575079207 951689316 /nfs/dbraw/zinc/68/93/16/951689316.db2.gz MBGRJLIKXVNIGB-ONGXEEELSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001575080202 951706233 /nfs/dbraw/zinc/70/62/33/951706233.db2.gz PRLWMZPBWCUMPW-NXEZZACHSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001575080203 951705504 /nfs/dbraw/zinc/70/55/04/951705504.db2.gz PRLWMZPBWCUMPW-UWVGGRQHSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001575080204 951706539 /nfs/dbraw/zinc/70/65/39/951706539.db2.gz PRLWMZPBWCUMPW-VHSXEESVSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001575080205 951706931 /nfs/dbraw/zinc/70/69/31/951706931.db2.gz PRLWMZPBWCUMPW-ZJUUUORDSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001575080963 951717672 /nfs/dbraw/zinc/71/76/72/951717672.db2.gz TUOBCRAKKHDMLI-SECBINFHSA-N 1 0 375.393 -1.298 20 0 GAADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001575080965 951718701 /nfs/dbraw/zinc/71/87/01/951718701.db2.gz TUOBCRAKKHDMLI-VIFPVBQESA-N 1 0 375.393 -1.298 20 0 GAADRO C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575081772 951725617 /nfs/dbraw/zinc/72/56/17/951725617.db2.gz VLKOXJLSGRMONN-GXSJLCMTSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575081773 951725659 /nfs/dbraw/zinc/72/56/59/951725659.db2.gz VLKOXJLSGRMONN-KOLCDFICSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575081775 951725637 /nfs/dbraw/zinc/72/56/37/951725637.db2.gz VLKOXJLSGRMONN-MWLCHTKSSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575081777 951725152 /nfs/dbraw/zinc/72/51/52/951725152.db2.gz VLKOXJLSGRMONN-ONGXEEELSA-N 1 0 385.450 -1.444 20 0 GAADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001575144589 952167701 /nfs/dbraw/zinc/16/77/01/952167701.db2.gz JEIUUBSGJHLOOL-BXKDBHETSA-N 1 0 380.434 -1.366 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001575144591 952168307 /nfs/dbraw/zinc/16/83/07/952168307.db2.gz JEIUUBSGJHLOOL-CABZTGNLSA-N 1 0 380.434 -1.366 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001575144593 952167719 /nfs/dbraw/zinc/16/77/19/952167719.db2.gz JEIUUBSGJHLOOL-JOYOIKCWSA-N 1 0 380.434 -1.366 20 0 GAADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001575144595 952168247 /nfs/dbraw/zinc/16/82/47/952168247.db2.gz JEIUUBSGJHLOOL-SKDRFNHKSA-N 1 0 380.434 -1.366 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575145617 952187639 /nfs/dbraw/zinc/18/76/39/952187639.db2.gz BFBMKSXHWKCRJQ-JTQLQIEISA-N 1 0 385.388 -1.095 20 0 GAADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575145618 952186916 /nfs/dbraw/zinc/18/69/16/952186916.db2.gz BFBMKSXHWKCRJQ-SNVBAGLBSA-N 1 0 385.388 -1.095 20 0 GAADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575145802 952188324 /nfs/dbraw/zinc/18/83/24/952188324.db2.gz CTVINZUNFKXCSX-LLVKDONJSA-N 1 0 386.420 -1.072 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575145803 952188951 /nfs/dbraw/zinc/18/89/51/952188951.db2.gz CTVINZUNFKXCSX-NSHDSACASA-N 1 0 386.420 -1.072 20 0 GAADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575146392 952194129 /nfs/dbraw/zinc/19/41/29/952194129.db2.gz JZSMUHFPTADTNP-GFCCVEGCSA-N 1 0 387.448 -1.284 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575146393 952193814 /nfs/dbraw/zinc/19/38/14/952193814.db2.gz JZSMUHFPTADTNP-LBPRGKRZSA-N 1 0 387.448 -1.284 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575146850 952197961 /nfs/dbraw/zinc/19/79/61/952197961.db2.gz OXFODQYIKQBFGQ-JTQLQIEISA-N 1 0 382.450 -1.166 20 0 GAADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575146851 952198227 /nfs/dbraw/zinc/19/82/27/952198227.db2.gz OXFODQYIKQBFGQ-SNVBAGLBSA-N 1 0 382.450 -1.166 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575147150 952198566 /nfs/dbraw/zinc/19/85/66/952198566.db2.gz RDWXMXTZZRVMKK-JTQLQIEISA-N 1 0 382.450 -1.118 20 0 GAADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575147151 952198956 /nfs/dbraw/zinc/19/89/56/952198956.db2.gz RDWXMXTZZRVMKK-SNVBAGLBSA-N 1 0 382.450 -1.118 20 0 GAADRO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575185309 952431691 /nfs/dbraw/zinc/43/16/91/952431691.db2.gz PFRCIORFBISJTQ-NXEZZACHSA-N 1 0 383.434 -1.747 20 0 GAADRO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575185310 952431940 /nfs/dbraw/zinc/43/19/40/952431940.db2.gz PFRCIORFBISJTQ-UWVGGRQHSA-N 1 0 383.434 -1.747 20 0 GAADRO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575185311 952431663 /nfs/dbraw/zinc/43/16/63/952431663.db2.gz PFRCIORFBISJTQ-VHSXEESVSA-N 1 0 383.434 -1.747 20 0 GAADRO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575185312 952431331 /nfs/dbraw/zinc/43/13/31/952431331.db2.gz PFRCIORFBISJTQ-ZJUUUORDSA-N 1 0 383.434 -1.747 20 0 GAADRO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575185743 952435761 /nfs/dbraw/zinc/43/57/61/952435761.db2.gz VIOIRHXAOOTNBQ-NXEZZACHSA-N 1 0 383.434 -1.747 20 0 GAADRO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575185744 952435814 /nfs/dbraw/zinc/43/58/14/952435814.db2.gz VIOIRHXAOOTNBQ-UWVGGRQHSA-N 1 0 383.434 -1.747 20 0 GAADRO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575185745 952435373 /nfs/dbraw/zinc/43/53/73/952435373.db2.gz VIOIRHXAOOTNBQ-VHSXEESVSA-N 1 0 383.434 -1.747 20 0 GAADRO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575185746 952434908 /nfs/dbraw/zinc/43/49/08/952434908.db2.gz VIOIRHXAOOTNBQ-ZJUUUORDSA-N 1 0 383.434 -1.747 20 0 GAADRO C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001575280831 949789429 /nfs/dbraw/zinc/78/94/29/949789429.db2.gz AIGYPWWDPJKUAV-JTQLQIEISA-N 1 0 391.436 -1.551 20 0 GAADRO C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001575280832 949794893 /nfs/dbraw/zinc/79/48/93/949794893.db2.gz AIGYPWWDPJKUAV-SNVBAGLBSA-N 1 0 391.436 -1.551 20 0 GAADRO C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281212 949800354 /nfs/dbraw/zinc/80/03/54/949800354.db2.gz DUYWMAAROQEZNU-NXEZZACHSA-N 1 0 382.450 -1.120 20 0 GAADRO C[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281214 949804823 /nfs/dbraw/zinc/80/48/23/949804823.db2.gz DUYWMAAROQEZNU-UWVGGRQHSA-N 1 0 382.450 -1.120 20 0 GAADRO C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281216 949803336 /nfs/dbraw/zinc/80/33/36/949803336.db2.gz DUYWMAAROQEZNU-VHSXEESVSA-N 1 0 382.450 -1.120 20 0 GAADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001575281217 949803688 /nfs/dbraw/zinc/80/36/88/949803688.db2.gz DUYWMAAROQEZNU-ZJUUUORDSA-N 1 0 382.450 -1.120 20 0 GAADRO C[C@@H](NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001575281498 949811805 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LWDDXSILAPKARH-UHFFFAOYSA-N 1 0 376.465 -1.132 20 0 GAADRO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)CCOCc3cn[nH]n3)C2=O)cn1 ZINC001577659090 1075312735 /nfs/dbraw/zinc/31/27/35/1075312735.db2.gz ZQBVZAAWWPDRCK-AWEZNQCLSA-N 1 0 376.421 -1.044 20 0 GAADRO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)CCOCc3cn[nH]n3)C2=O)cn1 ZINC001577659091 1075312704 /nfs/dbraw/zinc/31/27/04/1075312704.db2.gz ZQBVZAAWWPDRCK-CQSZACIVSA-N 1 0 376.421 -1.044 20 0 GAADRO Cn1ccc(C(=O)N2CCC(O)(C[NH2+]CC(=O)NCc3cn[nH]n3)CC2)n1 ZINC001577661463 1075312747 /nfs/dbraw/zinc/31/27/47/1075312747.db2.gz JCHHXZYAIYDZMM-UHFFFAOYSA-N 1 0 376.421 -1.589 20 0 GAADRO CCCN1C[C@H](C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1=O ZINC001577662010 1075313035 /nfs/dbraw/zinc/31/30/35/1075313035.db2.gz BBXYNENHLITJHD-NEPJUHHUSA-N 1 0 388.432 -1.169 20 0 GAADRO CCCN1C[C@@H](C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1=O ZINC001577662011 1075313304 /nfs/dbraw/zinc/31/33/04/1075313304.db2.gz BBXYNENHLITJHD-NWDGAFQWSA-N 1 0 388.432 -1.169 20 0 GAADRO CCCN1C[C@@H](C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1=O ZINC001577662012 1075313051 /nfs/dbraw/zinc/31/30/51/1075313051.db2.gz BBXYNENHLITJHD-RYUDHWBXSA-N 1 0 388.432 -1.169 20 0 GAADRO CCCN1C[C@H](C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1=O ZINC001577662013 1075313068 /nfs/dbraw/zinc/31/30/68/1075313068.db2.gz BBXYNENHLITJHD-VXGBXAGGSA-N 1 0 388.432 -1.169 20 0 GAADRO Cn1cnc(C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NCc3cn[nH]n3)C2)cc1=O ZINC001577672622 1075315223 /nfs/dbraw/zinc/31/52/23/1075315223.db2.gz MXTUJCUYQBTYFK-GFCCVEGCSA-N 1 0 388.432 -1.343 20 0 GAADRO Cn1cnc(C(=O)NCC[C@H]2CC[N@H+](CC(=O)NCc3cn[nH]n3)C2)cc1=O ZINC001577672624 1075315268 /nfs/dbraw/zinc/31/52/68/1075315268.db2.gz MXTUJCUYQBTYFK-LBPRGKRZSA-N 1 0 388.432 -1.343 20 0 GAADRO Cn1cnc(C(=O)N[C@@](C)(C[NH2+]CC(=O)NCc2cn[nH]n2)C2CC2)cc1=O ZINC001577672626 1075315296 /nfs/dbraw/zinc/31/52/96/1075315296.db2.gz NCPVAFABMCYQHX-KRWDZBQOSA-N 1 0 388.432 -1.297 20 0 GAADRO Cn1cnc(C(=O)N[C@](C)(C[NH2+]CC(=O)NCc2cn[nH]n2)C2CC2)cc1=O ZINC001577672628 1075315163 /nfs/dbraw/zinc/31/51/63/1075315163.db2.gz NCPVAFABMCYQHX-QGZVFWFLSA-N 1 0 388.432 -1.297 20 0 GAADRO Cn1cnc(C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCc2cn[nH]n2)cc1=O ZINC001577672726 1075315569 /nfs/dbraw/zinc/31/55/69/1075315569.db2.gz ONWPLRDULBFMDG-ZDUSSCGKSA-N 1 0 388.432 -1.201 20 0 GAADRO Cn1cnc(C(=O)NC2(C[NH2+]CC(=O)NCc3cn[nH]n3)CCOCC2)c1 ZINC001577672734 1075315560 /nfs/dbraw/zinc/31/55/60/1075315560.db2.gz OSEJVHNWJLYPBJ-UHFFFAOYSA-N 1 0 376.421 -1.277 20 0 GAADRO Cn1cnc(C(=O)NCC2([NH2+]CC(=O)NCc3cn[nH]n3)CCOCC2)n1 ZINC001577673052 1075315548 /nfs/dbraw/zinc/31/55/48/1075315548.db2.gz SPACLVRDQDHSSN-UHFFFAOYSA-N 1 0 377.409 -1.882 20 0 GAADRO Cn1cnc(C(=O)NCCC[N@H+](CC(=O)NCc2cn[nH]n2)C2CC2)cc1=O ZINC001577673326 1075316041 /nfs/dbraw/zinc/31/60/41/1075316041.db2.gz YXJPKKAYMUHMBY-UHFFFAOYSA-N 1 0 388.432 -1.201 20 0 GAADRO Cn1cnc(C(=O)N(CCO)CC[NH2+]CC(=O)NCc2cn[nH]n2)cc1=O ZINC001577673353 1075316066 /nfs/dbraw/zinc/31/60/66/1075316066.db2.gz ZXBBZPOBJAZKNP-UHFFFAOYSA-N 1 0 378.393 -2.761 20 0 GAADRO Cn1cnn(CCC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1=O ZINC001577677947 1075316669 /nfs/dbraw/zinc/31/66/69/1075316669.db2.gz BHUXRPBYUBIOBW-PHIMTYICSA-N 1 0 377.409 -2.357 20 0 GAADRO Cn1cnn(CCC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1=O ZINC001577677948 1075316723 /nfs/dbraw/zinc/31/67/23/1075316723.db2.gz BHUXRPBYUBIOBW-XYPYZODXSA-N 1 0 377.409 -2.357 20 0 GAADRO Cn1cnn(CCC(=O)N2CCCO[C@@H](C[NH2+]CCc3cn[nH]n3)C2)c1=O ZINC001577677984 1075316649 /nfs/dbraw/zinc/31/66/49/1075316649.db2.gz CNMZEWRPEDXBIB-AWEZNQCLSA-N 1 0 378.437 -1.460 20 0 GAADRO Cn1cnn(CCC(=O)N2CCCO[C@H](C[NH2+]CCc3cn[nH]n3)C2)c1=O ZINC001577677985 1075316613 /nfs/dbraw/zinc/31/66/13/1075316613.db2.gz CNMZEWRPEDXBIB-CQSZACIVSA-N 1 0 378.437 -1.460 20 0 GAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1=O ZINC001577678010 1075316635 /nfs/dbraw/zinc/31/66/35/1075316635.db2.gz DOABIUKXYVXLDJ-NEPJUHHUSA-N 1 0 391.436 -1.967 20 0 GAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1=O ZINC001577678011 1075316746 /nfs/dbraw/zinc/31/67/46/1075316746.db2.gz DOABIUKXYVXLDJ-NWDGAFQWSA-N 1 0 391.436 -1.967 20 0 GAADRO Cn1cnn(CC(=O)N[C@H]2CCC[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1=O ZINC001577678012 1075317142 /nfs/dbraw/zinc/31/71/42/1075317142.db2.gz DOABIUKXYVXLDJ-RYUDHWBXSA-N 1 0 391.436 -1.967 20 0 GAADRO Cn1cnn(CC(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1=O ZINC001577678013 1075317196 /nfs/dbraw/zinc/31/71/96/1075317196.db2.gz DOABIUKXYVXLDJ-VXGBXAGGSA-N 1 0 391.436 -1.967 20 0 GAADRO Cn1cnn(CCC(=O)N2CCC[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1=O ZINC001577678092 1075317028 /nfs/dbraw/zinc/31/70/28/1075317028.db2.gz GLBOSOXYVPXOOQ-LBPRGKRZSA-N 1 0 391.436 -2.013 20 0 GAADRO Cn1cnn(CC(=O)NCC2CC([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1=O ZINC001577678145 1075316990 /nfs/dbraw/zinc/31/69/90/1075316990.db2.gz IEIWJTZFPADOHB-UHFFFAOYSA-N 1 0 377.409 -2.499 20 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ZINC001577680114 1075318425 /nfs/dbraw/zinc/31/84/25/1075318425.db2.gz CWZRHPQDMXCBAF-CYBMUJFWSA-N 1 0 388.432 -1.201 20 0 GAADRO Cn1nc(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCc3cn[nH]n3)C2)ccc1=O ZINC001577680656 1075318530 /nfs/dbraw/zinc/31/85/30/1075318530.db2.gz SVILTPHHMNPWMO-GFCCVEGCSA-N 1 0 388.432 -1.343 20 0 GAADRO Cn1nc(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCc3cn[nH]n3)C2)ccc1=O ZINC001577680657 1075318523 /nfs/dbraw/zinc/31/85/23/1075318523.db2.gz SVILTPHHMNPWMO-LBPRGKRZSA-N 1 0 388.432 -1.343 20 0 GAADRO Cn1cnnc1COCC(=O)N1CCC[C@H]([N@H+](CCO)CCc2c[nH]nn2)C1 ZINC001577680681 1075318949 /nfs/dbraw/zinc/31/89/49/1075318949.db2.gz UJXINTVKIADWBI-HNNXBMFYSA-N 1 0 392.464 -1.022 20 0 GAADRO Cn1cnnc1COCC(=O)N1CCC[C@@H]([N@H+](CCO)CCc2c[nH]nn2)C1 ZINC001577680682 1075319064 /nfs/dbraw/zinc/31/90/64/1075319064.db2.gz UJXINTVKIADWBI-OAHLLOKOSA-N 1 0 392.464 -1.022 20 0 GAADRO Cn1nc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc2cn[nH]n2)c2c1CCCC2 ZINC001577680919 1075318885 /nfs/dbraw/zinc/31/88/85/1075318885.db2.gz YDOFMRZVVHDMGW-GFCCVEGCSA-N 1 0 390.448 -1.586 20 0 GAADRO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc2cn[nH]n2)c2c1CCCC2 ZINC001577680920 1075318998 /nfs/dbraw/zinc/31/89/98/1075318998.db2.gz YDOFMRZVVHDMGW-LBPRGKRZSA-N 1 0 390.448 -1.586 20 0 GAADRO Cn1nc2c(c1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1cn[nH]n1)CCC2 ZINC001577683486 1075319936 /nfs/dbraw/zinc/31/99/36/1075319936.db2.gz QHJCNXNVQLFEHT-LLVKDONJSA-N 1 0 376.421 -1.976 20 0 GAADRO Cn1nc2c(c1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1cn[nH]n1)CCC2 ZINC001577683487 1075319982 /nfs/dbraw/zinc/31/99/82/1075319982.db2.gz QHJCNXNVQLFEHT-NSHDSACASA-N 1 0 376.421 -1.976 20 0 GAADRO Cn1ncc(C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCc3cn[nH]n3)C2)c1N ZINC001577683505 1075320042 /nfs/dbraw/zinc/32/00/42/1075320042.db2.gz QXJTVVRQFNFCFR-GFCCVEGCSA-N 1 0 389.464 -1.079 20 0 GAADRO Cn1ncc(C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCc3cn[nH]n3)C2)c1N ZINC001577683506 1075320060 /nfs/dbraw/zinc/32/00/60/1075320060.db2.gz QXJTVVRQFNFCFR-LBPRGKRZSA-N 1 0 389.464 -1.079 20 0 GAADRO Cn1ncc(C(=O)N[C@@](C)(C[NH2+]CC(=O)NCc2cn[nH]n2)C2CC2)c1N ZINC001577686242 1075320441 /nfs/dbraw/zinc/32/04/41/1075320441.db2.gz NNKBSPLNDAJKST-INIZCTEOSA-N 1 0 375.437 -1.075 20 0 GAADRO Cn1ncc(C(=O)N[C@](C)(C[NH2+]CC(=O)NCc2cn[nH]n2)C2CC2)c1N ZINC001577686243 1075320537 /nfs/dbraw/zinc/32/05/37/1075320537.db2.gz NNKBSPLNDAJKST-MRXNPFEDSA-N 1 0 375.437 -1.075 20 0 GAADRO Cn1nccc1C(=O)NCC1([NH2+]CC(=O)NCc2cn[nH]n2)CCOCC1 ZINC001577688790 1075320870 /nfs/dbraw/zinc/32/08/70/1075320870.db2.gz HPPGBRSRNQRYEX-UHFFFAOYSA-N 1 0 376.421 -1.277 20 0 GAADRO Cn1nccc1COCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCc2cn[nH]n2)C1 ZINC001577691392 1075321320 /nfs/dbraw/zinc/32/13/20/1075321320.db2.gz JYJRCPQGAJYJKM-TXEJJXNPSA-N 1 0 376.421 -1.392 20 0 GAADRO Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)[C@@H](O)C1 ZINC001577691793 1075321666 /nfs/dbraw/zinc/32/16/66/1075321666.db2.gz UMEWDTRBMYUMED-IKGGRYGDSA-N 1 0 388.476 -1.093 20 0 GAADRO Cn1nnc2c1C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C1)CC2 ZINC001577693586 1075321688 /nfs/dbraw/zinc/32/16/88/1075321688.db2.gz DDPHBUDPILNCSL-IJLUTSLNSA-N 1 0 387.448 -1.409 20 0 GAADRO Cn1nnc2c1C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C1)CC2 ZINC001577693587 1075321651 /nfs/dbraw/zinc/32/16/51/1075321651.db2.gz DDPHBUDPILNCSL-SDDRHHMPSA-N 1 0 387.448 -1.409 20 0 GAADRO Cn1nnc2c1C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C1)CC2 ZINC001577693588 1075321758 /nfs/dbraw/zinc/32/17/58/1075321758.db2.gz DDPHBUDPILNCSL-SRVKXCTJSA-N 1 0 387.448 -1.409 20 0 GAADRO Cn1nnc2c1C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C1)CC2 ZINC001577693589 1075321728 /nfs/dbraw/zinc/32/17/28/1075321728.db2.gz DDPHBUDPILNCSL-UTUOFQBUSA-N 1 0 387.448 -1.409 20 0 GAADRO Cn1nnc(C(=O)NCCC2CC[NH+](CC(=O)NCc3cn[nH]n3)CC2)n1 ZINC001577693637 1075322142 /nfs/dbraw/zinc/32/21/42/1075322142.db2.gz FCCHKCULXXBVSH-UHFFFAOYSA-N 1 0 376.425 -1.524 20 0 GAADRO Cn1nnc(C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCc4cn[nH]n4)nn3)C2)n1 ZINC001577693901 1075322664 /nfs/dbraw/zinc/32/26/64/1075322664.db2.gz MJRCAJBWUMLTAL-CYBMUJFWSA-N 1 0 386.424 -1.271 20 0 GAADRO Cn1nnc(C(=O)N2CCC[C@H](n3cc(C[NH2+]CCc4cn[nH]n4)nn3)C2)n1 ZINC001577693902 1075322472 /nfs/dbraw/zinc/32/24/72/1075322472.db2.gz MJRCAJBWUMLTAL-ZDUSSCGKSA-N 1 0 386.424 -1.271 20 0 GAADRO Cn1nnc2cc(C(=O)N3CC[C@@H]([NH2+]CC(=O)NCc4cn[nH]n4)C3)cnc21 ZINC001577693963 1075322620 /nfs/dbraw/zinc/32/26/20/1075322620.db2.gz NWUJFMJRMQOLPH-LLVKDONJSA-N 1 0 384.404 -1.398 20 0 GAADRO Cn1nnc2cc(C(=O)N3CC[C@H]([NH2+]CC(=O)NCc4cn[nH]n4)C3)cnc21 ZINC001577693964 1075322499 /nfs/dbraw/zinc/32/24/99/1075322499.db2.gz NWUJFMJRMQOLPH-NSHDSACASA-N 1 0 384.404 -1.398 20 0 GAADRO Cn1nnc(C(=O)NC2(C[NH2+]CC(=O)NCc3cn[nH]n3)CCCCC2)n1 ZINC001577693985 1075322612 /nfs/dbraw/zinc/32/26/12/1075322612.db2.gz OQCRJQCPLHVHOO-UHFFFAOYSA-N 1 0 376.425 -1.333 20 0 GAADRO Cn1nnc(C(=O)N2CCC([N@H+](CCO)CC(=O)NCc3cn[nH]n3)CC2)n1 ZINC001577694016 1075322958 /nfs/dbraw/zinc/32/29/58/1075322958.db2.gz POUOZIBDTSKGSQ-UHFFFAOYSA-N 1 0 392.424 -2.457 20 0 GAADRO Cn1nnc2cc(C(=O)N[C@H]3C[C@H]([NH2+]CC(=O)NCc4cn[nH]n4)C3)cnc21 ZINC001577694028 1075323048 /nfs/dbraw/zinc/32/30/48/1075323048.db2.gz QBQIEWWMOWBXGR-XYPYZODXSA-N 1 0 384.404 -1.352 20 0 GAADRO Cn1nnc2c1nccc2C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577694156 1075323516 /nfs/dbraw/zinc/32/35/16/1075323516.db2.gz VHWFTPQMRYNFKD-JTQLQIEISA-N 1 0 388.392 -2.522 20 0 GAADRO Cn1nnc2c1nccc2C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577694157 1075323449 /nfs/dbraw/zinc/32/34/49/1075323449.db2.gz VHWFTPQMRYNFKD-SNVBAGLBSA-N 1 0 388.392 -2.522 20 0 GAADRO Cn1nnc2cc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc3cn[nH]n3)ccc21 ZINC001577694214 1075323503 /nfs/dbraw/zinc/32/35/03/1075323503.db2.gz XSUWBBIQEWDEBA-GFCCVEGCSA-N 1 0 387.404 -1.917 20 0 GAADRO Cn1nnc2cc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc3cn[nH]n3)ccc21 ZINC001577694215 1075323353 /nfs/dbraw/zinc/32/33/53/1075323353.db2.gz XSUWBBIQEWDEBA-LBPRGKRZSA-N 1 0 387.404 -1.917 20 0 GAADRO CCCS(=O)(=O)CC(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577694364 1075323524 /nfs/dbraw/zinc/32/35/24/1075323524.db2.gz DOHNFAFKJSCQPS-JTQLQIEISA-N 1 0 383.434 -1.603 20 0 GAADRO CCCS(=O)(=O)CC(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001577694365 1075323343 /nfs/dbraw/zinc/32/33/43/1075323343.db2.gz DOHNFAFKJSCQPS-SNVBAGLBSA-N 1 0 383.434 -1.603 20 0 GAADRO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C1CCN(Cc2cn[nH]n2)CC1 ZINC001577696050 1075324182 /nfs/dbraw/zinc/32/41/82/1075324182.db2.gz FXZKMOJPHRDCHQ-HNNXBMFYSA-N 1 0 377.453 -1.588 20 0 GAADRO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C1CCN(Cc2cn[nH]n2)CC1 ZINC001577696051 1075324202 /nfs/dbraw/zinc/32/42/02/1075324202.db2.gz FXZKMOJPHRDCHQ-OAHLLOKOSA-N 1 0 377.453 -1.588 20 0 GAADRO Cn1nncc1C[NH2+]CC1(O)CCN(C(=O)CCOCc2cn[nH]n2)CC1 ZINC001577696423 1075324658 /nfs/dbraw/zinc/32/46/58/1075324658.db2.gz SDNAROIKUHPFQV-UHFFFAOYSA-N 1 0 378.437 -1.017 20 0 GAADRO Cn1nncc1C(=O)NCCN1CCC([NH2+]CC(=O)NCc2cn[nH]n2)CC1 ZINC001577696523 1075324699 /nfs/dbraw/zinc/32/46/99/1075324699.db2.gz VYRLIWQDONMOER-UHFFFAOYSA-N 1 0 390.452 -1.967 20 0 GAADRO NC(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCc2cn[nH]n2)CC1 ZINC001577721202 1075325520 /nfs/dbraw/zinc/32/55/20/1075325520.db2.gz BCQHMDDGEURWQK-OCCSQVGLSA-N 1 0 379.421 -2.108 20 0 GAADRO NC(=O)C(=O)N1CCC(N(Cc2cn[nH]n2)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001577721745 1075326225 /nfs/dbraw/zinc/32/62/25/1075326225.db2.gz TZNIBSWEJKFOPT-HNNXBMFYSA-N 1 0 389.460 -1.049 20 0 GAADRO NC(=O)C(=O)N1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001577721746 1075326197 /nfs/dbraw/zinc/32/61/97/1075326197.db2.gz TZNIBSWEJKFOPT-OAHLLOKOSA-N 1 0 389.460 -1.049 20 0 GAADRO NC(=O)C1(C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCc2cn[nH]n2)C3)CC1 ZINC001577723909 1075326624 /nfs/dbraw/zinc/32/66/24/1075326624.db2.gz BSYHBFYONOYDIO-UHFFFAOYSA-N 1 0 375.433 -1.297 20 0 GAADRO NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(=O)NCc4cn[nH]n4)[C@H]3C2)CC1 ZINC001577723942 1075326537 /nfs/dbraw/zinc/32/65/37/1075326537.db2.gz CPJJGWFNFBYLRE-FPMFFAJLSA-N 1 0 389.460 -1.097 20 0 GAADRO NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(=O)NCc4cn[nH]n4)[C@@H]3C2)CC1 ZINC001577723943 1075326616 /nfs/dbraw/zinc/32/66/16/1075326616.db2.gz CPJJGWFNFBYLRE-IACUBPJLSA-N 1 0 389.460 -1.097 20 0 GAADRO NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(=O)NCc4cn[nH]n4)[C@H]3C2)CC1 ZINC001577723944 1075326543 /nfs/dbraw/zinc/32/65/43/1075326543.db2.gz CPJJGWFNFBYLRE-UBHSHLNASA-N 1 0 389.460 -1.097 20 0 GAADRO NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(=O)NCc4cn[nH]n4)[C@@H]3C2)CC1 ZINC001577723945 1075326521 /nfs/dbraw/zinc/32/65/21/1075326521.db2.gz CPJJGWFNFBYLRE-YUTCNCBUSA-N 1 0 389.460 -1.097 20 0 GAADRO NC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cn[nH]n2)[C@H](C(F)(F)F)C1 ZINC001577724015 1075327041 /nfs/dbraw/zinc/32/70/41/1075327041.db2.gz GAYCUGVGOIWHOU-PSASIEDQSA-N 1 0 391.354 -1.477 20 0 GAADRO NC(=O)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2cn[nH]n2)[C@@H](C(F)(F)F)C1 ZINC001577724016 1075327013 /nfs/dbraw/zinc/32/70/13/1075327013.db2.gz GAYCUGVGOIWHOU-SCZZXKLOSA-N 1 0 391.354 -1.477 20 0 GAADRO NC(=O)CC(=O)N1C[C@H](C[NH2+]CC(=O)NCc2cn[nH]n2)[C@H](C(F)(F)F)C1 ZINC001577724017 1075327007 /nfs/dbraw/zinc/32/70/07/1075327007.db2.gz GAYCUGVGOIWHOU-WCBMZHEXSA-N 1 0 391.354 -1.477 20 0 GAADRO NC(=O)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC(=O)NCc2cn[nH]n2)C1 ZINC001577724018 1075326968 /nfs/dbraw/zinc/32/69/68/1075326968.db2.gz GAYCUGVGOIWHOU-WPRPVWTQSA-N 1 0 391.354 -1.477 20 0 GAADRO NC(=O)C1(C(=O)N[C@H](C[NH2+]CC(=O)NCc2cn[nH]n2)C2CCCC2)CC1 ZINC001577724068 1075326943 /nfs/dbraw/zinc/32/69/43/1075326943.db2.gz HVENTIROBFRMOY-CYBMUJFWSA-N 1 0 377.449 -1.049 20 0 GAADRO NC(=O)C1(C(=O)N[C@@H](C[NH2+]CC(=O)NCc2cn[nH]n2)C2CCCC2)CC1 ZINC001577724069 1075326949 /nfs/dbraw/zinc/32/69/49/1075326949.db2.gz HVENTIROBFRMOY-ZDUSSCGKSA-N 1 0 377.449 -1.049 20 0 GAADRO NC(=O)CC(=O)N(Cc1cn[nH]n1)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001577724598 1075328150 /nfs/dbraw/zinc/32/81/50/1075328150.db2.gz WIQGKGKULCLFTQ-HNNXBMFYSA-N 1 0 390.448 -1.269 20 0 GAADRO NC(=O)CC(=O)N(Cc1cn[nH]n1)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001577724599 1075328097 /nfs/dbraw/zinc/32/80/97/1075328097.db2.gz WIQGKGKULCLFTQ-OAHLLOKOSA-N 1 0 390.448 -1.269 20 0 GAADRO NC(=O)CN1CCC(N(Cc2cn[nH]n2)C(=O)c2nc3ncccn3n2)CC1 ZINC001577727206 1075328532 /nfs/dbraw/zinc/32/85/32/1075328532.db2.gz HEAZAPNRTXCXKM-UHFFFAOYSA-N 1 0 384.404 -1.166 20 0 GAADRO NC(=O)CCCC(=O)N1C[C@H]2CCN(CC(=O)NCc3cn[nH]n3)C[C@H]2C1 ZINC001577727422 1075328450 /nfs/dbraw/zinc/32/84/50/1075328450.db2.gz KIQJNPHNDMEWLF-OLZOCXBDSA-N 1 0 377.449 -1.143 20 0 GAADRO NC(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)CC1 ZINC001577728422 1075329030 /nfs/dbraw/zinc/32/90/30/1075329030.db2.gz ZUJNHNYBWSLNCV-HNNXBMFYSA-N 1 0 378.481 -1.575 20 0 GAADRO NC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(Cc2cn[nH]n2)CCCCC1 ZINC001577730037 1075329040 /nfs/dbraw/zinc/32/90/40/1075329040.db2.gz AONOERZQYDHVMD-GFCCVEGCSA-N 1 0 381.437 -1.441 20 0 GAADRO NC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(Cc2cn[nH]n2)CCCCC1 ZINC001577730038 1075329085 /nfs/dbraw/zinc/32/90/85/1075329085.db2.gz AONOERZQYDHVMD-LBPRGKRZSA-N 1 0 381.437 -1.441 20 0 GAADRO NC(=O)Cn1cc(C(=O)N[C@H]2COC3(C[NH+](CCc4cn[nH]n4)C3)C2)nn1 ZINC001577730094 1075329444 /nfs/dbraw/zinc/32/94/44/1075329444.db2.gz BBZHDFJYELYGGG-LLVKDONJSA-N 1 0 375.393 -2.303 20 0 GAADRO NC(=O)Cn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCc4cn[nH]n4)C3)C2)nn1 ZINC001577730096 1075329391 /nfs/dbraw/zinc/32/93/91/1075329391.db2.gz BBZHDFJYELYGGG-NSHDSACASA-N 1 0 375.393 -2.303 20 0 GAADRO NC(=O)NC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)CC1 ZINC001577730141 1075329631 /nfs/dbraw/zinc/32/96/31/1075329631.db2.gz BPMFKWVJXQONIB-YIZWMMSDSA-N 1 0 392.464 -1.019 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001577730161 1075329603 /nfs/dbraw/zinc/32/96/03/1075329603.db2.gz BXHIXLUQIHXFJQ-GFCCVEGCSA-N 1 0 378.437 -1.598 20 0 GAADRO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)nn1 ZINC001577730165 1075329417 /nfs/dbraw/zinc/32/94/17/1075329417.db2.gz BZHVNTLWHXHPJH-VIFPVBQESA-N 1 0 376.381 -2.998 20 0 GAADRO NC(=O)N1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577730197 1075329482 /nfs/dbraw/zinc/32/94/82/1075329482.db2.gz CKPZSNVYDTYHGM-IBUXWKBASA-N 1 0 378.437 -1.384 20 0 GAADRO NC(=O)N1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577730201 1075329590 /nfs/dbraw/zinc/32/95/90/1075329590.db2.gz CKPZSNVYDTYHGM-XQJDBVBESA-N 1 0 378.437 -1.384 20 0 GAADRO NC(=O)N1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577730203 1075329431 /nfs/dbraw/zinc/32/94/31/1075329431.db2.gz CKPZSNVYDTYHGM-YWVDXFKGSA-N 1 0 378.437 -1.384 20 0 GAADRO NC(=O)N1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577730205 1075329379 /nfs/dbraw/zinc/32/93/79/1075329379.db2.gz CKPZSNVYDTYHGM-ZRMMWKCHSA-N 1 0 378.437 -1.384 20 0 GAADRO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCCCc2c[nH]nn2)CCO1 ZINC001577730229 1075329562 /nfs/dbraw/zinc/32/95/62/1075329562.db2.gz COXZUSXWUBGSGF-CYBMUJFWSA-N 1 0 381.437 -1.081 20 0 GAADRO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCCCc2c[nH]nn2)CCO1 ZINC001577730230 1075329545 /nfs/dbraw/zinc/32/95/45/1075329545.db2.gz COXZUSXWUBGSGF-ZDUSSCGKSA-N 1 0 381.437 -1.081 20 0 GAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)nn1 ZINC001577730236 1075329579 /nfs/dbraw/zinc/32/95/79/1075329579.db2.gz CQGDSJCPHUKOMJ-JTQLQIEISA-N 1 0 390.408 -2.608 20 0 GAADRO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)nn1 ZINC001577730237 1075329407 /nfs/dbraw/zinc/32/94/07/1075329407.db2.gz CQGDSJCPHUKOMJ-SNVBAGLBSA-N 1 0 390.408 -2.608 20 0 GAADRO NC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)C1CCN(Cc2cn[nH]n2)CC1)C1CC1 ZINC001577730269 1075329512 /nfs/dbraw/zinc/32/95/12/1075329512.db2.gz DRQILDRDQSZMQZ-AWEZNQCLSA-N 1 0 392.464 -1.304 20 0 GAADRO NC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)C1CCN(Cc2cn[nH]n2)CC1)C1CC1 ZINC001577730270 1075329971 /nfs/dbraw/zinc/32/99/71/1075329971.db2.gz DRQILDRDQSZMQZ-CQSZACIVSA-N 1 0 392.464 -1.304 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCN1Cc1cn[nH]n1)C1CC1 ZINC001577730563 1075330342 /nfs/dbraw/zinc/33/03/42/1075330342.db2.gz NUEGZPRRPLIGGL-OLZOCXBDSA-N 1 0 378.437 -1.552 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1Cc1cn[nH]n1)C1CC1 ZINC001577730564 1075330389 /nfs/dbraw/zinc/33/03/89/1075330389.db2.gz NUEGZPRRPLIGGL-STQMWFEESA-N 1 0 378.437 -1.552 20 0 GAADRO NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)C1 ZINC001577730575 1075330301 /nfs/dbraw/zinc/33/03/01/1075330301.db2.gz OAJXALGMIGCATK-CHWSQXEVSA-N 1 0 392.464 -1.208 20 0 GAADRO NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)C1 ZINC001577730576 1075330420 /nfs/dbraw/zinc/33/04/20/1075330420.db2.gz OAJXALGMIGCATK-QWHCGFSZSA-N 1 0 392.464 -1.208 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C1 ZINC001577730579 1075330377 /nfs/dbraw/zinc/33/03/77/1075330377.db2.gz OGXGKTDSLWMZBZ-YPMHNXCESA-N 1 0 378.437 -1.455 20 0 GAADRO NC(=O)N1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)C1 ZINC001577730584 1075330368 /nfs/dbraw/zinc/33/03/68/1075330368.db2.gz OTLBJQHBAUXSQH-RWMBFGLXSA-N 1 0 392.464 -1.304 20 0 GAADRO NC(=O)N1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)C1 ZINC001577730585 1075330327 /nfs/dbraw/zinc/33/03/27/1075330327.db2.gz OTLBJQHBAUXSQH-UPJWGTAASA-N 1 0 392.464 -1.304 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001577730596 1075330294 /nfs/dbraw/zinc/33/02/94/1075330294.db2.gz PAVVKELJIXLWOT-CYBMUJFWSA-N 1 0 392.464 -1.208 20 0 GAADRO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C1 ZINC001577730604 1075330411 /nfs/dbraw/zinc/33/04/11/1075330411.db2.gz PHMRVHSTFCOOCC-GVXVVHGQSA-N 1 0 378.437 -1.552 20 0 GAADRO NC(=O)Cc1occc1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577730608 1075330333 /nfs/dbraw/zinc/33/03/33/1075330333.db2.gz PQCUSYJAJSOOJY-GFCCVEGCSA-N 1 0 389.416 -1.064 20 0 GAADRO NC(=O)Cc1occc1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577730609 1075330350 /nfs/dbraw/zinc/33/03/50/1075330350.db2.gz PQCUSYJAJSOOJY-LBPRGKRZSA-N 1 0 389.416 -1.064 20 0 GAADRO NC(=O)NC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)CCCCC1 ZINC001577730730 1075330398 /nfs/dbraw/zinc/33/03/98/1075330398.db2.gz UGSMGVUUMBLUIJ-GFCCVEGCSA-N 1 0 392.464 -1.017 20 0 GAADRO NC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)C1 ZINC001577730763 1075330893 /nfs/dbraw/zinc/33/08/93/1075330893.db2.gz VMAHSGZXIDCXCD-NWDGAFQWSA-N 1 0 378.437 -1.598 20 0 GAADRO NC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)C1 ZINC001577730764 1075330805 /nfs/dbraw/zinc/33/08/05/1075330805.db2.gz VMAHSGZXIDCXCD-VXGBXAGGSA-N 1 0 378.437 -1.598 20 0 GAADRO 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NC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577730807 1075330913 /nfs/dbraw/zinc/33/09/13/1075330913.db2.gz WYMIKHMZTGFENP-RYUDHWBXSA-N 1 0 382.425 -2.579 20 0 GAADRO NC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577730808 1075330683 /nfs/dbraw/zinc/33/06/83/1075330683.db2.gz WYMIKHMZTGFENP-VXGBXAGGSA-N 1 0 382.425 -2.579 20 0 GAADRO NC(=O)NCCC(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577732853 1075331578 /nfs/dbraw/zinc/33/15/78/1075331578.db2.gz OPXGFXCEZTZURH-CYBMUJFWSA-N 1 0 380.453 -1.160 20 0 GAADRO NC(=O)NCCC(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NCc1cn[nH]n1 ZINC001577732857 1075331614 /nfs/dbraw/zinc/33/16/14/1075331614.db2.gz OPXGFXCEZTZURH-ZDUSSCGKSA-N 1 0 380.453 -1.160 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCc2cn[nH]n2)O1 ZINC001577732926 1075332094 /nfs/dbraw/zinc/33/20/94/1075332094.db2.gz PPKVXMMLMDGCGK-HZSPNIEDSA-N 1 0 393.448 -1.576 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCc2cn[nH]n2)O1 ZINC001577732927 1075332191 /nfs/dbraw/zinc/33/21/91/1075332191.db2.gz PPKVXMMLMDGCGK-MELADBBJSA-N 1 0 393.448 -1.576 20 0 GAADRO NC(=O)NCCC(=O)N1CCC2(CC[N@H+](CC(=O)NCc3cn[nH]n3)C2)CC1 ZINC001577732996 1075332116 /nfs/dbraw/zinc/33/21/16/1075332116.db2.gz QUFKVJBPOREPLI-UHFFFAOYSA-N 1 0 392.464 -1.206 20 0 GAADRO NC(=O)NCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733172 1075332444 /nfs/dbraw/zinc/33/24/44/1075332444.db2.gz UAZLELCGNXAHKX-AAEUAGOBSA-N 1 0 378.437 -1.598 20 0 GAADRO NC(=O)NCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733174 1075332662 /nfs/dbraw/zinc/33/26/62/1075332662.db2.gz UAZLELCGNXAHKX-DGCLKSJQSA-N 1 0 378.437 -1.598 20 0 GAADRO NC(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733176 1075332628 /nfs/dbraw/zinc/33/26/28/1075332628.db2.gz UAZLELCGNXAHKX-WCQYABFASA-N 1 0 378.437 -1.598 20 0 GAADRO NC(=O)NCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577733178 1075332599 /nfs/dbraw/zinc/33/25/99/1075332599.db2.gz UAZLELCGNXAHKX-YPMHNXCESA-N 1 0 378.437 -1.598 20 0 GAADRO NC(=O)NCCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH2+]Cc1cnn[nH]1 ZINC001577733525 1075332983 /nfs/dbraw/zinc/33/29/83/1075332983.db2.gz ZREGJALZLJHION-CYBMUJFWSA-N 1 0 380.453 -1.160 20 0 GAADRO NC(=O)NCCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH2+]Cc1cnn[nH]1 ZINC001577733526 1075333036 /nfs/dbraw/zinc/33/30/36/1075333036.db2.gz ZREGJALZLJHION-ZDUSSCGKSA-N 1 0 380.453 -1.160 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1cn[nH]n1)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001577735168 1075333421 /nfs/dbraw/zinc/33/34/21/1075333421.db2.gz KUXZUKGTIZDAKL-ILXRZTDVSA-N 1 0 389.460 -1.002 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1cn[nH]n1)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001577735169 1075333349 /nfs/dbraw/zinc/33/33/49/1075333349.db2.gz KUXZUKGTIZDAKL-QLFBSQMISA-N 1 0 389.460 -1.002 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH2+]CCc1cn[nH]n1 ZINC001577735226 1075333599 /nfs/dbraw/zinc/33/35/99/1075333599.db2.gz NGAZOCORYOCLCG-KFWWJZLASA-N 1 0 391.476 -1.054 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH2+]CCc1cn[nH]n1 ZINC001577735227 1075333553 /nfs/dbraw/zinc/33/35/53/1075333553.db2.gz NGAZOCORYOCLCG-ZNMIVQPWSA-N 1 0 391.476 -1.054 20 0 GAADRO NC(=O)c1cc(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCc3cn[nH]n3)C2)c[nH]1 ZINC001577735397 1075333701 /nfs/dbraw/zinc/33/37/01/1075333701.db2.gz UJPBFRQKIPMDGG-LLVKDONJSA-N 1 0 388.432 -1.010 20 0 GAADRO NC(=O)c1cc(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCc3cn[nH]n3)C2)c[nH]1 ZINC001577735398 1075333964 /nfs/dbraw/zinc/33/39/64/1075333964.db2.gz UJPBFRQKIPMDGG-NSHDSACASA-N 1 0 388.432 -1.010 20 0 GAADRO NC(=O)c1cc(C(=O)N[C@H](C[NH2+]CC(=O)NCc2cn[nH]n2)C2CC2)co1 ZINC001577735420 1075333683 /nfs/dbraw/zinc/33/36/83/1075333683.db2.gz VHLXJYSPRMFSTR-GFCCVEGCSA-N 1 0 375.389 -1.089 20 0 GAADRO NC(=O)c1cc(C(=O)N[C@@H](C[NH2+]CC(=O)NCc2cn[nH]n2)C2CC2)co1 ZINC001577735421 1075333759 /nfs/dbraw/zinc/33/37/59/1075333759.db2.gz VHLXJYSPRMFSTR-LBPRGKRZSA-N 1 0 375.389 -1.089 20 0 GAADRO NC(=O)c1cc(C(=O)N2CC(n3cc(C[NH2+]CCc4cn[nH]n4)nn3)C2)c[nH]1 ZINC001577735541 1075334327 /nfs/dbraw/zinc/33/43/27/1075334327.db2.gz ZKZATKKDKPSMKX-UHFFFAOYSA-N 1 0 384.404 -1.147 20 0 GAADRO NC(=O)c1ccc(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)cn1 ZINC001577737842 1075334340 /nfs/dbraw/zinc/33/43/40/1075334340.db2.gz VIQCOGPQQNDPCH-GFCCVEGCSA-N 1 0 386.416 -1.652 20 0 GAADRO NC(=O)c1ccnc(C(=O)N[C@@H](C[NH2+]CC(=O)NCc2cn[nH]n2)C2CC2)c1 ZINC001577739953 1075334838 /nfs/dbraw/zinc/33/48/38/1075334838.db2.gz GLBVILRMHGJMKV-AWEZNQCLSA-N 1 0 386.416 -1.287 20 0 GAADRO NC(=O)c1ccnc(C(=O)N[C@H](C[NH2+]CC(=O)NCc2cn[nH]n2)C2CC2)c1 ZINC001577739954 1075334631 /nfs/dbraw/zinc/33/46/31/1075334631.db2.gz GLBVILRMHGJMKV-CQSZACIVSA-N 1 0 386.416 -1.287 20 0 GAADRO NC(=O)c1ncccc1C(=O)NCC1CC([NH2+]CC(=O)NCc2cn[nH]n2)C1 ZINC001577740095 1075334775 /nfs/dbraw/zinc/33/47/75/1075334775.db2.gz IOTRJLNHQWLTAF-UHFFFAOYSA-N 1 0 386.416 -1.287 20 0 GAADRO NC(=O)c1ccnc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1 ZINC001577740174 1075334763 /nfs/dbraw/zinc/33/47/63/1075334763.db2.gz JZRYGVGSKFFJCR-KLPPZKSPSA-N 1 0 386.416 -1.287 20 0 GAADRO NC(=O)c1ccnc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)c1 ZINC001577740175 1075334727 /nfs/dbraw/zinc/33/47/27/1075334727.db2.gz JZRYGVGSKFFJCR-UMSPYCQHSA-N 1 0 386.416 -1.287 20 0 GAADRO NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C[NH2+]CCc3cn[nH]n3)C2)o1 ZINC001577740191 1075334796 /nfs/dbraw/zinc/33/47/96/1075334796.db2.gz KMUNWEMBWGPHOL-LLVKDONJSA-N 1 0 384.418 -1.282 20 0 GAADRO NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C[NH2+]CCc3cn[nH]n3)C2)o1 ZINC001577740192 1075335128 /nfs/dbraw/zinc/33/51/28/1075335128.db2.gz KMUNWEMBWGPHOL-NSHDSACASA-N 1 0 384.418 -1.282 20 0 GAADRO NC(=O)c1ncn(CC(=O)N(Cc2cn[nH]n2)C2CC[NH+](CCCO)CC2)n1 ZINC001577740282 1075335203 /nfs/dbraw/zinc/33/52/03/1075335203.db2.gz LGUCOUJVDHMGFQ-UHFFFAOYSA-N 1 0 391.436 -1.629 20 0 GAADRO NC(=O)c1csc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCc2cn[nH]n2)c1 ZINC001577740313 1075335270 /nfs/dbraw/zinc/33/52/70/1075335270.db2.gz LYYYOBXWMLBRJW-JTQLQIEISA-N 1 0 381.418 -2.038 20 0 GAADRO NC(=O)c1csc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCc2cn[nH]n2)c1 ZINC001577740320 1075335096 /nfs/dbraw/zinc/33/50/96/1075335096.db2.gz LYYYOBXWMLBRJW-SNVBAGLBSA-N 1 0 381.418 -2.038 20 0 GAADRO NC(=O)c1ncn(CC(=O)NC2(CO)CC[NH+](CCc3c[nH]nn3)CC2)n1 ZINC001577740350 1075335240 /nfs/dbraw/zinc/33/52/40/1075335240.db2.gz MOMHDJIUHXLRFK-UHFFFAOYSA-N 1 0 377.409 -2.319 20 0 GAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NCC1=CC[N@H+](CCc2c[nH]nn2)CC1 ZINC001577740388 1075335295 /nfs/dbraw/zinc/33/52/95/1075335295.db2.gz NXSCJMJRQQLPLN-UHFFFAOYSA-N 1 0 380.434 -1.220 20 0 GAADRO NC(=O)c1ccnc(C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCc3cn[nH]n3)C2)c1 ZINC001577740540 1075335252 /nfs/dbraw/zinc/33/52/52/1075335252.db2.gz QBVRCLDFQBVDJX-UMSPYCQHSA-N 1 0 386.416 -1.287 20 0 GAADRO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577740599 1075335672 /nfs/dbraw/zinc/33/56/72/1075335672.db2.gz SDWAKAFKZIDPHS-VHSXEESVSA-N 1 0 382.450 -1.094 20 0 GAADRO NC(=O)c1ncn(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577740926 1075335602 /nfs/dbraw/zinc/33/56/02/1075335602.db2.gz XSVBLTBHSJEEPT-JTQLQIEISA-N 1 0 390.408 -2.608 20 0 GAADRO Nc1nccnc1C(=O)NCC1([NH2+]CC(=O)NCc2cn[nH]n2)CCOCC1 ZINC001577742910 1075336196 /nfs/dbraw/zinc/33/61/96/1075336196.db2.gz MSUBINRKWBCVOB-UHFFFAOYSA-N 1 0 389.420 -1.638 20 0 GAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC(OCCC[NH2+]Cc2cnn[nH]2)CC1 ZINC001577759184 1075336185 /nfs/dbraw/zinc/33/61/85/1075336185.db2.gz SHGCOGDTPTXLPJ-AWEZNQCLSA-N 1 0 386.478 -1.016 20 0 GAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC(OCCC[NH2+]Cc2cnn[nH]2)CC1 ZINC001577759186 1075336097 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391.432 -1.459 20 0 GAADRO O=C(C[NH2+]C[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O)NCc1cn[nH]n1 ZINC001577941831 1075369236 /nfs/dbraw/zinc/36/92/36/1075369236.db2.gz GIVDYKZEKVQPAF-GFCCVEGCSA-N 1 0 392.420 -2.057 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O)NCc1cn[nH]n1 ZINC001577941832 1075369071 /nfs/dbraw/zinc/36/90/71/1075369071.db2.gz GIVDYKZEKVQPAF-LBPRGKRZSA-N 1 0 392.420 -2.057 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)C2CCC(O)CC2)CCO1)NCc1cn[nH]n1 ZINC001577942007 1075369049 /nfs/dbraw/zinc/36/90/49/1075369049.db2.gz IECLJHGVXFYPCY-PESDSKBTSA-N 1 0 380.449 -1.211 20 0 GAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)C2CCC(O)CC2)CCO1)NCc1cn[nH]n1 ZINC001577942008 1075369192 /nfs/dbraw/zinc/36/91/92/1075369192.db2.gz IECLJHGVXFYPCY-ZALBZXLWSA-N 1 0 380.449 -1.211 20 0 GAADRO O=C(C[NH2+]C/C=C/CNC(=O)CN1CCCS1(=O)=O)NCc1cn[nH]n1 ZINC001577942050 1075369102 /nfs/dbraw/zinc/36/91/02/1075369102.db2.gz JDVOTJTUIQXDEQ-OWOJBTEDSA-N 1 0 385.450 -2.282 20 0 GAADRO O=C(C[NH2+]C/C=C\CNC(=O)CN1CCCS1(=O)=O)NCc1cn[nH]n1 ZINC001577942051 1075369210 /nfs/dbraw/zinc/36/92/10/1075369210.db2.gz JDVOTJTUIQXDEQ-UPHRSURJSA-N 1 0 385.450 -2.282 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)NCc1cn[nH]n1 ZINC001577942086 1075369156 /nfs/dbraw/zinc/36/91/56/1075369156.db2.gz JWIACYXLLCTOLG-JTQLQIEISA-N 1 0 378.393 -2.589 20 0 GAADRO O=C(C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)NCc1cn[nH]n1 ZINC001577942087 1075369643 /nfs/dbraw/zinc/36/96/43/1075369643.db2.gz JWIACYXLLCTOLG-SNVBAGLBSA-N 1 0 378.393 -2.589 20 0 GAADRO O=C(C[NH2+]CC1CCN(C(=O)Cc2[nH]c(O)nc2O)CC1)NCc1c[nH]nn1 ZINC001577942211 1075369554 /nfs/dbraw/zinc/36/95/54/1075369554.db2.gz KEFANMYEPJHZMP-LBPRGKRZSA-N 1 0 392.420 -2.153 20 0 GAADRO O=C(C[NH2+]CC1CC(NC(=O)c2ccc3nnnn3c2)C1)NCc1cn[nH]n1 ZINC001577942241 1075369506 /nfs/dbraw/zinc/36/95/06/1075369506.db2.gz KYSRIQJCRSBUDL-UHFFFAOYSA-N 1 0 384.404 -1.343 20 0 GAADRO O=C(C[NH2+]CC1(O)CCN(C(=O)Cc2nnc[nH]2)CC1)NCc1cn[nH]n1 ZINC001577942242 1075369469 /nfs/dbraw/zinc/36/94/69/1075369469.db2.gz KZHLCNDWKBZOCE-UHFFFAOYSA-N 1 0 377.409 -2.275 20 0 GAADRO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1)NCc1cn[nH]n1 ZINC001577942249 1075369611 /nfs/dbraw/zinc/36/96/11/1075369611.db2.gz LDAQFXUKEGMJDI-PBHICJAKSA-N 1 0 392.460 -1.209 20 0 GAADRO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1)NCc1cn[nH]n1 ZINC001577942250 1075369484 /nfs/dbraw/zinc/36/94/84/1075369484.db2.gz LDAQFXUKEGMJDI-RHSMWYFYSA-N 1 0 392.460 -1.209 20 0 GAADRO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1)NCc1cn[nH]n1 ZINC001577942251 1075369601 /nfs/dbraw/zinc/36/96/01/1075369601.db2.gz LDAQFXUKEGMJDI-WMLDXEAASA-N 1 0 392.460 -1.209 20 0 GAADRO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1)NCc1cn[nH]n1 ZINC001577942252 1075369579 /nfs/dbraw/zinc/36/95/79/1075369579.db2.gz LDAQFXUKEGMJDI-YOEHRIQHSA-N 1 0 392.460 -1.209 20 0 GAADRO O=C(C[NH2+]C[C@H]1CCN(C(=O)c2cccn3nnnc23)C1)NCc1cn[nH]n1 ZINC001577942291 1075369632 /nfs/dbraw/zinc/36/96/32/1075369632.db2.gz MADIXEWIEFWXJZ-LLVKDONJSA-N 1 0 384.404 -1.390 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CCN(C(=O)c2cccn3nnnc23)C1)NCc1cn[nH]n1 ZINC001577942292 1075369529 /nfs/dbraw/zinc/36/95/29/1075369529.db2.gz MADIXEWIEFWXJZ-NSHDSACASA-N 1 0 384.404 -1.390 20 0 GAADRO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCOC2)CC1)NCc1cn[nH]n1 ZINC001577942312 1075369623 /nfs/dbraw/zinc/36/96/23/1075369623.db2.gz MEGGCEHSDRPZEB-CYBMUJFWSA-N 1 0 380.449 -1.209 20 0 GAADRO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCOC2)CC1)NCc1cn[nH]n1 ZINC001577942314 1075369460 /nfs/dbraw/zinc/36/94/60/1075369460.db2.gz MEGGCEHSDRPZEB-ZDUSSCGKSA-N 1 0 380.449 -1.209 20 0 GAADRO O=C(C[NH2+]CC[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)NCc1cn[nH]n1 ZINC001577942414 1075369667 /nfs/dbraw/zinc/36/96/67/1075369667.db2.gz NCQVKXRHNAOUOA-CYBMUJFWSA-N 1 0 377.449 -1.225 20 0 GAADRO O=C(C[NH2+]CC[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1)NCc1cn[nH]n1 ZINC001577942418 1075369589 /nfs/dbraw/zinc/36/95/89/1075369589.db2.gz NCQVKXRHNAOUOA-ZDUSSCGKSA-N 1 0 377.449 -1.225 20 0 GAADRO O=C(C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)C1)NCc1cn[nH]n1 ZINC001577942487 1075369568 /nfs/dbraw/zinc/36/95/68/1075369568.db2.gz OHDKINPTGCKMKP-KBPBESRZSA-N 1 0 379.465 -1.372 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)C1)NCc1cn[nH]n1 ZINC001577942488 1075369516 /nfs/dbraw/zinc/36/95/16/1075369516.db2.gz OHDKINPTGCKMKP-KGLIPLIRSA-N 1 0 379.465 -1.372 20 0 GAADRO O=C(C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)C1)NCc1cn[nH]n1 ZINC001577942489 1075369542 /nfs/dbraw/zinc/36/95/42/1075369542.db2.gz OHDKINPTGCKMKP-UONOGXRCSA-N 1 0 379.465 -1.372 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)C1)NCc1cn[nH]n1 ZINC001577942490 1075369478 /nfs/dbraw/zinc/36/94/78/1075369478.db2.gz OHDKINPTGCKMKP-ZIAGYGMSSA-N 1 0 379.465 -1.372 20 0 GAADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1CCc2nncn2CC1)NCc1cn[nH]n1 ZINC001577942512 1075369495 /nfs/dbraw/zinc/36/94/95/1075369495.db2.gz OPIKTAUHXJQEBI-GFCCVEGCSA-N 1 0 375.437 -1.239 20 0 GAADRO O=C(C[NH2+]CCCNC(=O)[C@H]1CCc2nncn2CC1)NCc1cn[nH]n1 ZINC001577942513 1075369655 /nfs/dbraw/zinc/36/96/55/1075369655.db2.gz OPIKTAUHXJQEBI-LBPRGKRZSA-N 1 0 375.437 -1.239 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)NCc1cn[nH]n1 ZINC001577942563 1075369929 /nfs/dbraw/zinc/36/99/29/1075369929.db2.gz PFBBXOJVUYWGOQ-JTQLQIEISA-N 1 0 377.405 -2.088 20 0 GAADRO O=C(C[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)NCc1cn[nH]n1 ZINC001577942565 1075370049 /nfs/dbraw/zinc/37/00/49/1075370049.db2.gz PFBBXOJVUYWGOQ-SNVBAGLBSA-N 1 0 377.405 -2.088 20 0 GAADRO O=C(C[NH2+]CC1CC(NC(=O)[C@H]2CCc3nncn3C2)C1)NCc1cn[nH]n1 ZINC001577942645 1075369982 /nfs/dbraw/zinc/36/99/82/1075369982.db2.gz QFRCGFQMFWXALN-CPCZMJQVSA-N 1 0 387.448 -1.241 20 0 GAADRO O=C(C[NH2+]CC1CC(NC(=O)[C@@H]2CCc3nncn3C2)C1)NCc1cn[nH]n1 ZINC001577942647 1075370008 /nfs/dbraw/zinc/37/00/08/1075370008.db2.gz QFRCGFQMFWXALN-OTTFEQOBSA-N 1 0 387.448 -1.241 20 0 GAADRO O=C(C[NH2+]CC1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1)NCc1cn[nH]n1 ZINC001577942726 1075370086 /nfs/dbraw/zinc/37/00/86/1075370086.db2.gz QTCQDWHGNCAQGJ-HSOILSAZSA-N 1 0 377.405 -2.042 20 0 GAADRO O=C(C[NH2+]CC1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1)NCc1cn[nH]n1 ZINC001577942727 1075370003 /nfs/dbraw/zinc/37/00/03/1075370003.db2.gz QTCQDWHGNCAQGJ-YVNMAJEFSA-N 1 0 377.405 -2.042 20 0 GAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COCCO2)CCCO1)NCc1cn[nH]n1 ZINC001577942839 1075370033 /nfs/dbraw/zinc/37/00/33/1075370033.db2.gz SAZANASHUGURMJ-KBPBESRZSA-N 1 0 382.421 -1.957 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCCO1)NCc1cn[nH]n1 ZINC001577942840 1075369973 /nfs/dbraw/zinc/36/99/73/1075369973.db2.gz SAZANASHUGURMJ-KGLIPLIRSA-N 1 0 382.421 -1.957 20 0 GAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)[C@H]2COCCO2)CCCO1)NCc1cn[nH]n1 ZINC001577942841 1075369993 /nfs/dbraw/zinc/36/99/93/1075369993.db2.gz SAZANASHUGURMJ-UONOGXRCSA-N 1 0 382.421 -1.957 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCO2)CCCO1)NCc1cn[nH]n1 ZINC001577942842 1075370071 /nfs/dbraw/zinc/37/00/71/1075370071.db2.gz SAZANASHUGURMJ-ZIAGYGMSSA-N 1 0 382.421 -1.957 20 0 GAADRO O=C(C[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C1)NCc1cn[nH]n1 ZINC001577942886 1075370096 /nfs/dbraw/zinc/37/00/96/1075370096.db2.gz SZAFQGYRVMGQAR-GFCCVEGCSA-N 1 0 379.421 -2.282 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)NCc1cn[nH]n1 ZINC001577942887 1075369962 /nfs/dbraw/zinc/36/99/62/1075369962.db2.gz SZAFQGYRVMGQAR-LBPRGKRZSA-N 1 0 379.421 -2.282 20 0 GAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1)NCc1cn[nH]n1 ZINC001577942895 1075370081 /nfs/dbraw/zinc/37/00/81/1075370081.db2.gz TUBHJJUCBBLZLT-AWEZNQCLSA-N 1 0 376.421 -1.406 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1)NCc1cn[nH]n1 ZINC001577942896 1075370107 /nfs/dbraw/zinc/37/01/07/1075370107.db2.gz TUBHJJUCBBLZLT-CQSZACIVSA-N 1 0 376.421 -1.406 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1)NCc1cn[nH]n1 ZINC001577942925 1075369947 /nfs/dbraw/zinc/36/99/47/1075369947.db2.gz UTZUNJQOXRGCKQ-LLVKDONJSA-N 1 0 376.377 -2.365 20 0 GAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1)NCc1cn[nH]n1 ZINC001577942926 1075370022 /nfs/dbraw/zinc/37/00/22/1075370022.db2.gz UTZUNJQOXRGCKQ-NSHDSACASA-N 1 0 376.377 -2.365 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CCO1)NCc1cn[nH]n1 ZINC001577942994 1075369917 /nfs/dbraw/zinc/36/99/17/1075369917.db2.gz WHDMOPADZOJCRF-GFCCVEGCSA-N 1 0 378.397 -2.685 20 0 GAADRO O=C(C[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CCO1)NCc1cn[nH]n1 ZINC001577942995 1075370060 /nfs/dbraw/zinc/37/00/60/1075370060.db2.gz WHDMOPADZOJCRF-LBPRGKRZSA-N 1 0 378.397 -2.685 20 0 GAADRO O=C(C[NH2+]C[C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1)NCc1cn[nH]n1 ZINC001577943032 1075370482 /nfs/dbraw/zinc/37/04/82/1075370482.db2.gz XJCYZUNORIZYOU-LLVKDONJSA-N 1 0 384.404 -1.390 20 0 GAADRO O=C(C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1)NCc1cn[nH]n1 ZINC001577943033 1075370401 /nfs/dbraw/zinc/37/04/01/1075370401.db2.gz XJCYZUNORIZYOU-NSHDSACASA-N 1 0 384.404 -1.390 20 0 GAADRO 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CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[NH2+]C1CC1 ZINC001578141968 1075392820 /nfs/dbraw/zinc/39/28/20/1075392820.db2.gz HKXVIQZGIKFVHC-CYBMUJFWSA-N 1 0 377.449 -1.286 20 0 GAADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[NH2+]C1CC1 ZINC001578141969 1075392798 /nfs/dbraw/zinc/39/27/98/1075392798.db2.gz HKXVIQZGIKFVHC-ZDUSSCGKSA-N 1 0 377.449 -1.286 20 0 GAADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C)C[NH2+]C ZINC001578142331 1075392857 /nfs/dbraw/zinc/39/28/57/1075392857.db2.gz SNHDZMVFHFYIQT-CHWSQXEVSA-N 1 0 379.465 -1.183 20 0 GAADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C)C[NH2+]C ZINC001578142332 1075393199 /nfs/dbraw/zinc/39/31/99/1075393199.db2.gz SNHDZMVFHFYIQT-OLZOCXBDSA-N 1 0 379.465 -1.183 20 0 GAADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C)C[NH2+]C ZINC001578142333 1075393245 /nfs/dbraw/zinc/39/32/45/1075393245.db2.gz SNHDZMVFHFYIQT-QWHCGFSZSA-N 1 0 379.465 -1.183 20 0 GAADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C)C[NH2+]C 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HNNZVZVJPHZQDQ-NWDGAFQWSA-N 1 0 388.432 -1.251 20 0 GAADRO CCN1C[C@@H](C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1=O ZINC001578212387 1075395138 /nfs/dbraw/zinc/39/51/38/1075395138.db2.gz HNNZVZVJPHZQDQ-RYUDHWBXSA-N 1 0 388.432 -1.251 20 0 GAADRO CCN1C[C@H](C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1=O ZINC001578212388 1075395442 /nfs/dbraw/zinc/39/54/42/1075395442.db2.gz HNNZVZVJPHZQDQ-VXGBXAGGSA-N 1 0 388.432 -1.251 20 0 GAADRO CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001578214453 1075397428 /nfs/dbraw/zinc/39/74/28/1075397428.db2.gz AWQSWTNJBQGRKX-CXAGYDPISA-N 1 0 388.432 -1.018 20 0 GAADRO CCN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001578214455 1075397236 /nfs/dbraw/zinc/39/72/36/1075397236.db2.gz AWQSWTNJBQGRKX-DYVFJYSZSA-N 1 0 388.432 -1.018 20 0 GAADRO CCN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001578214457 1075397524 /nfs/dbraw/zinc/39/75/24/1075397524.db2.gz 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CHLXWRMOPREJHP-SUMWQHHRSA-N 1 0 388.432 -1.018 20 0 GAADRO CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001578214998 1075397508 /nfs/dbraw/zinc/39/75/08/1075397508.db2.gz IOVVBISOXVZYDL-CXAGYDPISA-N 1 0 388.432 -1.018 20 0 GAADRO CCN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001578214999 1075397448 /nfs/dbraw/zinc/39/74/48/1075397448.db2.gz IOVVBISOXVZYDL-DYVFJYSZSA-N 1 0 388.432 -1.018 20 0 GAADRO CCN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001578215000 1075397407 /nfs/dbraw/zinc/39/74/07/1075397407.db2.gz IOVVBISOXVZYDL-GUYCJALGSA-N 1 0 388.432 -1.018 20 0 GAADRO CCN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001578215001 1075397581 /nfs/dbraw/zinc/39/75/81/1075397581.db2.gz IOVVBISOXVZYDL-SUMWQHHRSA-N 1 0 388.432 -1.018 20 0 GAADRO CCN1CC[C@@H]([NH2+]CCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1=O ZINC001578217181 1075397390 /nfs/dbraw/zinc/39/73/90/1075397390.db2.gz CLNCJAKRENEXPX-GFCCVEGCSA-N 1 0 376.421 -1.160 20 0 GAADRO CCN1CC[C@H]([NH2+]CCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1=O ZINC001578217182 1075397378 /nfs/dbraw/zinc/39/73/78/1075397378.db2.gz CLNCJAKRENEXPX-LBPRGKRZSA-N 1 0 376.421 -1.160 20 0 GAADRO CCN1CC[C@@H]([NH2+]CCN(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001578217345 1075397398 /nfs/dbraw/zinc/39/73/98/1075397398.db2.gz GHNXZGFPJRQLSZ-GFCCVEGCSA-N 1 0 376.421 -1.160 20 0 GAADRO CCN1CC[C@H]([NH2+]CCN(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001578217346 1075397854 /nfs/dbraw/zinc/39/78/54/1075397854.db2.gz GHNXZGFPJRQLSZ-LBPRGKRZSA-N 1 0 376.421 -1.160 20 0 GAADRO CCN1CC[C@@H]([NH2+]CCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001578217383 1075397899 /nfs/dbraw/zinc/39/78/99/1075397899.db2.gz HGURAYSYNXZSBR-GFCCVEGCSA-N 1 0 376.421 -1.160 20 0 GAADRO CCN1CC[C@H]([NH2+]CCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001578217384 1075397885 /nfs/dbraw/zinc/39/78/85/1075397885.db2.gz HGURAYSYNXZSBR-LBPRGKRZSA-N 1 0 376.421 -1.160 20 0 GAADRO CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001578217387 1075397859 /nfs/dbraw/zinc/39/78/59/1075397859.db2.gz HLXKSQGYPBFWOY-NEPJUHHUSA-N 1 0 376.421 -1.162 20 0 GAADRO CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001578217388 1075397969 /nfs/dbraw/zinc/39/79/69/1075397969.db2.gz HLXKSQGYPBFWOY-NWDGAFQWSA-N 1 0 376.421 -1.162 20 0 GAADRO CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001578217389 1075397973 /nfs/dbraw/zinc/39/79/73/1075397973.db2.gz HLXKSQGYPBFWOY-RYUDHWBXSA-N 1 0 376.421 -1.162 20 0 GAADRO CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001578217390 1075397942 /nfs/dbraw/zinc/39/79/42/1075397942.db2.gz HLXKSQGYPBFWOY-VXGBXAGGSA-N 1 0 376.421 -1.162 20 0 GAADRO CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001578217714 1075397881 /nfs/dbraw/zinc/39/78/81/1075397881.db2.gz OSRJLYVYPFKXMI-CMPLNLGQSA-N 1 0 376.421 -1.162 20 0 GAADRO 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1075410852 /nfs/dbraw/zinc/41/08/52/1075410852.db2.gz JDAJVCUUHCDTOZ-LLVKDONJSA-N 1 0 376.421 -1.203 20 0 GAADRO CCNC(=O)CCC(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578232503 1075410830 /nfs/dbraw/zinc/41/08/30/1075410830.db2.gz JDAJVCUUHCDTOZ-NSHDSACASA-N 1 0 376.421 -1.203 20 0 GAADRO CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578237293 1075412912 /nfs/dbraw/zinc/41/29/12/1075412912.db2.gz FJEPRPMHAFIETO-INIZCTEOSA-N 1 0 376.421 -1.112 20 0 GAADRO CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578237294 1075412918 /nfs/dbraw/zinc/41/29/18/1075412918.db2.gz FJEPRPMHAFIETO-MRXNPFEDSA-N 1 0 376.421 -1.112 20 0 GAADRO CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001578237324 1075412924 /nfs/dbraw/zinc/41/29/24/1075412924.db2.gz GMUOHZFTZKWEEQ-UHFFFAOYSA-N 1 0 376.421 -1.112 20 0 GAADRO CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578237391 1075412899 /nfs/dbraw/zinc/41/28/99/1075412899.db2.gz IJFFCWHBGMJZRR-INIZCTEOSA-N 1 0 376.421 -1.112 20 0 GAADRO CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578237392 1075412827 /nfs/dbraw/zinc/41/28/27/1075412827.db2.gz IJFFCWHBGMJZRR-MRXNPFEDSA-N 1 0 376.421 -1.112 20 0 GAADRO CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578237521 1075413342 /nfs/dbraw/zinc/41/33/42/1075413342.db2.gz LYLWRIANPPEYPC-UHFFFAOYSA-N 1 0 376.421 -1.112 20 0 GAADRO CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578237735 1075413349 /nfs/dbraw/zinc/41/33/49/1075413349.db2.gz RKMXQYWIQHRZIQ-UHFFFAOYSA-N 1 0 376.421 -1.112 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001578238048 1075413497 /nfs/dbraw/zinc/41/34/97/1075413497.db2.gz APZBOMGKDMDMIK-SECBINFHSA-N 1 0 377.409 -1.004 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001578238049 1075413437 /nfs/dbraw/zinc/41/34/37/1075413437.db2.gz APZBOMGKDMDMIK-VIFPVBQESA-N 1 0 377.409 -1.004 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578238185 1075413372 /nfs/dbraw/zinc/41/33/72/1075413372.db2.gz HQPMYGMUOWNMCH-SECBINFHSA-N 1 0 377.409 -1.004 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578238186 1075413857 /nfs/dbraw/zinc/41/38/57/1075413857.db2.gz HQPMYGMUOWNMCH-VIFPVBQESA-N 1 0 377.409 -1.004 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578238200 1075413873 /nfs/dbraw/zinc/41/38/73/1075413873.db2.gz IHNGQNLVLVWCRL-UHFFFAOYSA-N 1 0 375.393 -1.108 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578238296 1075413866 /nfs/dbraw/zinc/41/38/66/1075413866.db2.gz KSDKVHPOMYKHLU-JTQLQIEISA-N 1 0 375.393 -1.155 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578238298 1075413830 /nfs/dbraw/zinc/41/38/30/1075413830.db2.gz KSDKVHPOMYKHLU-SNVBAGLBSA-N 1 0 375.393 -1.155 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578238323 1075413935 /nfs/dbraw/zinc/41/39/35/1075413935.db2.gz LEMJRQJIANPWRU-AOOOYVTPSA-N 1 0 375.393 -1.109 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578238324 1075413756 /nfs/dbraw/zinc/41/37/56/1075413756.db2.gz LEMJRQJIANPWRU-MGCOHNPYSA-N 1 0 375.393 -1.109 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578238429 1075413884 /nfs/dbraw/zinc/41/38/84/1075413884.db2.gz NSPWKMCMEIUALF-SECBINFHSA-N 1 0 375.393 -1.155 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578238430 1075413930 /nfs/dbraw/zinc/41/39/30/1075413930.db2.gz NSPWKMCMEIUALF-VIFPVBQESA-N 1 0 375.393 -1.155 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578238541 1075413922 /nfs/dbraw/zinc/41/39/22/1075413922.db2.gz PROQFBFCOWGDMJ-KYZUINATSA-N 1 0 375.393 -1.109 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578238729 1075414391 /nfs/dbraw/zinc/41/43/91/1075414391.db2.gz TVPAVLVWSIMYIH-JTQLQIEISA-N 1 0 375.393 -1.155 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578238730 1075414376 /nfs/dbraw/zinc/41/43/76/1075414376.db2.gz TVPAVLVWSIMYIH-SNVBAGLBSA-N 1 0 375.393 -1.155 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578238736 1075414340 /nfs/dbraw/zinc/41/43/40/1075414340.db2.gz UDULJTYFBUZXDY-AOOOYVTPSA-N 1 0 375.393 -1.109 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578238737 1075414328 /nfs/dbraw/zinc/41/43/28/1075414328.db2.gz UDULJTYFBUZXDY-MGCOHNPYSA-N 1 0 375.393 -1.109 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+]CC=CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578238805 1075414364 /nfs/dbraw/zinc/41/43/64/1075414364.db2.gz WJENVVQEAFWXLW-ARJAWSKDSA-N 1 0 375.393 -1.084 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+]CC=CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001578238810 1075414373 /nfs/dbraw/zinc/41/43/73/1075414373.db2.gz WJENVVQEAFWXLW-ONEGZZNKSA-N 1 0 375.393 -1.084 20 0 GAADRO CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578238833 1075414414 /nfs/dbraw/zinc/41/44/14/1075414414.db2.gz XBRDEMBWPLEECF-UHFFFAOYSA-N 1 0 375.393 -1.108 20 0 GAADRO CCc1nnc(N2C[C@@H]3[C@@H]([NH3+])CS(=O)(=O)[C@@H]3C2)n1CCN(C)CCOC ZINC001578305144 1075415856 /nfs/dbraw/zinc/41/58/56/1075415856.db2.gz KGIWTIUBBYZHFD-HZSPNIEDSA-N 1 0 386.522 -1.021 20 0 GAADRO CCc1nnc(N2C[C@H]3[C@H](C2)S(=O)(=O)C[C@H]3[NH3+])n1CCN(C)CCOC ZINC001578305145 1075415884 /nfs/dbraw/zinc/41/58/84/1075415884.db2.gz KGIWTIUBBYZHFD-MCIONIFRSA-N 1 0 386.522 -1.021 20 0 GAADRO CCc1nnc(N2C[C@@H]3[C@H]([NH3+])CS(=O)(=O)[C@@H]3C2)n1CCN(C)CCOC ZINC001578305146 1075415923 /nfs/dbraw/zinc/41/59/23/1075415923.db2.gz KGIWTIUBBYZHFD-MGPQQGTHSA-N 1 0 386.522 -1.021 20 0 GAADRO CCc1nnc(N2C[C@@H]3[C@@H]([NH3+])CS(=O)(=O)[C@H]3C2)n1CCN(C)CCOC ZINC001578305147 1075416049 /nfs/dbraw/zinc/41/60/49/1075416049.db2.gz KGIWTIUBBYZHFD-RDBSUJKOSA-N 1 0 386.522 -1.021 20 0 GAADRO CCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC1([NH3+])COC1 ZINC001578324794 1075415942 /nfs/dbraw/zinc/41/59/42/1075415942.db2.gz ZLBHRTIFDLKZOB-UHFFFAOYSA-N 1 0 393.492 -1.451 20 0 GAADRO CCO[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578382140 1075417010 /nfs/dbraw/zinc/41/70/10/1075417010.db2.gz UTXXHNKCQYFTFF-ZWNOBZJWSA-N 1 0 399.419 -1.204 20 0 GAADRO CN(C)C(=O)Cn1c(C2CC[NH2+]CC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001578401359 1075416943 /nfs/dbraw/zinc/41/69/43/1075416943.db2.gz DXTSDGAUOAVUAY-UHFFFAOYSA-N 1 0 399.521 -1.085 20 0 GAADRO CCS(=O)(=O)CC(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578408225 1075417646 /nfs/dbraw/zinc/41/76/46/1075417646.db2.gz NMCMKSOXIRZYAV-UHFFFAOYSA-N 1 0 383.434 -1.649 20 0 GAADRO CCS(=O)(=O)CC(=O)N(C)C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578408945 1075418032 /nfs/dbraw/zinc/41/80/32/1075418032.db2.gz ZWJPLZKDKQMHMD-JTQLQIEISA-N 1 0 383.434 -1.651 20 0 GAADRO CCS(=O)(=O)CC(=O)N(C)C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578408946 1075418051 /nfs/dbraw/zinc/41/80/51/1075418051.db2.gz ZWJPLZKDKQMHMD-SNVBAGLBSA-N 1 0 383.434 -1.651 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578411170 1075418432 /nfs/dbraw/zinc/41/84/32/1075418432.db2.gz IQWKSLZNJPSBRH-CYBMUJFWSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578411172 1075418402 /nfs/dbraw/zinc/41/84/02/1075418402.db2.gz IQWKSLZNJPSBRH-ZDUSSCGKSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578411188 1075418493 /nfs/dbraw/zinc/41/84/93/1075418493.db2.gz IXTYPQQPNDJNHI-JTQLQIEISA-N 1 0 383.434 -1.684 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578411191 1075418407 /nfs/dbraw/zinc/41/84/07/1075418407.db2.gz IXTYPQQPNDJNHI-SNVBAGLBSA-N 1 0 383.434 -1.684 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001578411293 1075418895 /nfs/dbraw/zinc/41/88/95/1075418895.db2.gz KNVUUDKLUOHSEN-SECBINFHSA-N 1 0 388.475 -1.070 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001578411294 1075418817 /nfs/dbraw/zinc/41/88/17/1075418817.db2.gz KNVUUDKLUOHSEN-VIFPVBQESA-N 1 0 388.475 -1.070 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001578411299 1075418922 /nfs/dbraw/zinc/41/89/22/1075418922.db2.gz KRSAYUORPNZYEO-GFCCVEGCSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001578411301 1075418945 /nfs/dbraw/zinc/41/89/45/1075418945.db2.gz KRSAYUORPNZYEO-LBPRGKRZSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001578411920 1075419268 /nfs/dbraw/zinc/41/92/68/1075419268.db2.gz WHCYNEJABINFPY-CYBMUJFWSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001578411921 1075419245 /nfs/dbraw/zinc/41/92/45/1075419245.db2.gz WHCYNEJABINFPY-ZDUSSCGKSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001578412361 1075419283 /nfs/dbraw/zinc/41/92/83/1075419283.db2.gz AZCPPVNVGMMKRM-GFCCVEGCSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001578412362 1075419661 /nfs/dbraw/zinc/41/96/61/1075419661.db2.gz AZCPPVNVGMMKRM-LBPRGKRZSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578413506 1075420234 /nfs/dbraw/zinc/42/02/34/1075420234.db2.gz KYGFQECUKLFFKM-CYBMUJFWSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578413507 1075420240 /nfs/dbraw/zinc/42/02/40/1075420240.db2.gz KYGFQECUKLFFKM-ZDUSSCGKSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578414182 1075420626 /nfs/dbraw/zinc/42/06/26/1075420626.db2.gz VTDPESUZMDVQMH-JTQLQIEISA-N 1 0 383.434 -1.684 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578414183 1075420677 /nfs/dbraw/zinc/42/06/77/1075420677.db2.gz VTDPESUZMDVQMH-SNVBAGLBSA-N 1 0 383.434 -1.684 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001578414216 1075420644 /nfs/dbraw/zinc/42/06/44/1075420644.db2.gz WBSLXVCVIUOLRZ-CYBMUJFWSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001578414217 1075420648 /nfs/dbraw/zinc/42/06/48/1075420648.db2.gz WBSLXVCVIUOLRZ-ZDUSSCGKSA-N 1 0 382.446 -1.132 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001578414264 1075421008 /nfs/dbraw/zinc/42/10/08/1075421008.db2.gz XRELUQIAXQTFIS-SECBINFHSA-N 1 0 388.475 -1.070 20 0 GAADRO CCS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001578414265 1075421155 /nfs/dbraw/zinc/42/11/55/1075421155.db2.gz XRELUQIAXQTFIS-VIFPVBQESA-N 1 0 388.475 -1.070 20 0 GAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414390 1075421133 /nfs/dbraw/zinc/42/11/33/1075421133.db2.gz DAXOBLBZPWDDHR-JTQLQIEISA-N 1 0 382.450 -1.118 20 0 GAADRO CCS(=O)(=O)N[C@H](C)C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414391 1075421042 /nfs/dbraw/zinc/42/10/42/1075421042.db2.gz DAXOBLBZPWDDHR-SNVBAGLBSA-N 1 0 382.450 -1.118 20 0 GAADRO CCS(=O)(=O)NCC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414499 1075422064 /nfs/dbraw/zinc/42/20/64/1075422064.db2.gz JCHJRWZYXUFPPA-JTQLQIEISA-N 1 0 382.450 -1.118 20 0 GAADRO CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414500 1075422041 /nfs/dbraw/zinc/42/20/41/1075422041.db2.gz JCHJRWZYXUFPPA-SNVBAGLBSA-N 1 0 382.450 -1.118 20 0 GAADRO CCS(=O)(=O)N(C)CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC001578414552 1075422583 /nfs/dbraw/zinc/42/25/83/1075422583.db2.gz LFLOCSUWGIFJPP-UHFFFAOYSA-N 1 0 385.454 -1.038 20 0 GAADRO CCS(=O)(=O)N(C)CC(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414596 1075422474 /nfs/dbraw/zinc/42/24/74/1075422474.db2.gz NOBNGBHNNHPTAL-UHFFFAOYSA-N 1 0 382.450 -1.165 20 0 GAADRO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414639 1075422429 /nfs/dbraw/zinc/42/24/29/1075422429.db2.gz OYRGEFDHKFTMEN-NXEZZACHSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414640 1075422527 /nfs/dbraw/zinc/42/25/27/1075422527.db2.gz OYRGEFDHKFTMEN-UWVGGRQHSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414641 1075422418 /nfs/dbraw/zinc/42/24/18/1075422418.db2.gz OYRGEFDHKFTMEN-VHSXEESVSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414642 1075422597 /nfs/dbraw/zinc/42/25/97/1075422597.db2.gz OYRGEFDHKFTMEN-ZJUUUORDSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414658 1075422924 /nfs/dbraw/zinc/42/29/24/1075422924.db2.gz PREAOYAUOQINRK-NXEZZACHSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414659 1075422779 /nfs/dbraw/zinc/42/27/79/1075422779.db2.gz PREAOYAUOQINRK-ZJUUUORDSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414680 1075422836 /nfs/dbraw/zinc/42/28/36/1075422836.db2.gz QHERFEVRKAKYEG-JTQLQIEISA-N 1 0 382.450 -1.118 20 0 GAADRO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414681 1075422851 /nfs/dbraw/zinc/42/28/51/1075422851.db2.gz QHERFEVRKAKYEG-SNVBAGLBSA-N 1 0 382.450 -1.118 20 0 GAADRO CCS(=O)(=O)N(C)CC(=O)NCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578414744 1075423283 /nfs/dbraw/zinc/42/32/83/1075423283.db2.gz TWOXDNANYZBOKV-UHFFFAOYSA-N 1 0 382.450 -1.198 20 0 GAADRO CCS(=O)(=O)NCC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414750 1075423342 /nfs/dbraw/zinc/42/33/42/1075423342.db2.gz ULKVNOGHYJEJFT-JTQLQIEISA-N 1 0 382.450 -1.118 20 0 GAADRO CCS(=O)(=O)NCC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578414751 1075423394 /nfs/dbraw/zinc/42/33/94/1075423394.db2.gz ULKVNOGHYJEJFT-SNVBAGLBSA-N 1 0 382.450 -1.118 20 0 GAADRO CCS(=O)(=O)NCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578414818 1075423679 /nfs/dbraw/zinc/42/36/79/1075423679.db2.gz XIRGYRCUFGBXFY-JTQLQIEISA-N 1 0 380.434 -1.364 20 0 GAADRO CCS(=O)(=O)NCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578414819 1075423690 /nfs/dbraw/zinc/42/36/90/1075423690.db2.gz XIRGYRCUFGBXFY-SNVBAGLBSA-N 1 0 380.434 -1.364 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578415159 1075423818 /nfs/dbraw/zinc/42/38/18/1075423818.db2.gz ACQBXDOPQPKMAH-JTQLQIEISA-N 1 0 382.450 -1.070 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578415160 1075423801 /nfs/dbraw/zinc/42/38/01/1075423801.db2.gz ACQBXDOPQPKMAH-SNVBAGLBSA-N 1 0 382.450 -1.070 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578415256 1075424550 /nfs/dbraw/zinc/42/45/50/1075424550.db2.gz DFZKZIOUOFNBAU-AOOOYVTPSA-N 1 0 380.434 -1.318 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578415257 1075424732 /nfs/dbraw/zinc/42/47/32/1075424732.db2.gz DFZKZIOUOFNBAU-MGCOHNPYSA-N 1 0 380.434 -1.318 20 0 GAADRO CCS(=O)(=O)NCC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578415265 1075424670 /nfs/dbraw/zinc/42/46/70/1075424670.db2.gz DNLOEIIDXUIMBH-JTQLQIEISA-N 1 0 382.450 -1.152 20 0 GAADRO CCS(=O)(=O)NCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578415266 1075424774 /nfs/dbraw/zinc/42/47/74/1075424774.db2.gz DNLOEIIDXUIMBH-SNVBAGLBSA-N 1 0 382.450 -1.152 20 0 GAADRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578415797 1075425361 /nfs/dbraw/zinc/42/53/61/1075425361.db2.gz JSZLETSAJOGFRD-MGCOHNPYSA-N 1 0 382.450 -1.016 20 0 GAADRO CCS(=O)(=O)NCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578415876 1075425512 /nfs/dbraw/zinc/42/55/12/1075425512.db2.gz MBYRCVVNJLOGDX-UHFFFAOYSA-N 1 0 380.434 -1.316 20 0 GAADRO CCS(=O)(=O)NCC(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578416328 1075426066 /nfs/dbraw/zinc/42/60/66/1075426066.db2.gz QLOFGIOLIXDQQG-JTQLQIEISA-N 1 0 382.450 -1.070 20 0 GAADRO CCS(=O)(=O)NCC(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578416329 1075425814 /nfs/dbraw/zinc/42/58/14/1075425814.db2.gz QLOFGIOLIXDQQG-SNVBAGLBSA-N 1 0 382.450 -1.070 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001578416551 1075426498 /nfs/dbraw/zinc/42/64/98/1075426498.db2.gz UQAUXXRPCPHEOU-YABSGUDNSA-N 1 0 392.445 -1.248 20 0 GAADRO CCS(=O)(=O)NCC(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578416556 1075426414 /nfs/dbraw/zinc/42/64/14/1075426414.db2.gz UVLXURVASPPXSW-JTQLQIEISA-N 1 0 382.450 -1.213 20 0 GAADRO CCS(=O)(=O)NCC(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578416557 1075426441 /nfs/dbraw/zinc/42/64/41/1075426441.db2.gz UVLXURVASPPXSW-SNVBAGLBSA-N 1 0 382.450 -1.213 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578416562 1075426350 /nfs/dbraw/zinc/42/63/50/1075426350.db2.gz UZUXUBCUNWGAGT-NXEZZACHSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578416563 1075426427 /nfs/dbraw/zinc/42/64/27/1075426427.db2.gz UZUXUBCUNWGAGT-UWVGGRQHSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578416564 1075426406 /nfs/dbraw/zinc/42/64/06/1075426406.db2.gz UZUXUBCUNWGAGT-VHSXEESVSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578416565 1075426419 /nfs/dbraw/zinc/42/64/19/1075426419.db2.gz UZUXUBCUNWGAGT-ZJUUUORDSA-N 1 0 382.450 -1.072 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578416624 1075426822 /nfs/dbraw/zinc/42/68/22/1075426822.db2.gz XKIMWECYJKVEHP-JTQLQIEISA-N 1 0 382.450 -1.152 20 0 GAADRO CCS(=O)(=O)NCC(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578416628 1075426864 /nfs/dbraw/zinc/42/68/64/1075426864.db2.gz XKIMWECYJKVEHP-SNVBAGLBSA-N 1 0 382.450 -1.152 20 0 GAADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578416720 1075426960 /nfs/dbraw/zinc/42/69/60/1075426960.db2.gz YNSCISNQXSZDQQ-NSHDSACASA-N 1 0 382.450 -1.062 20 0 GAADRO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)[NH+](C)C ZINC001578419766 1075427358 /nfs/dbraw/zinc/42/73/58/1075427358.db2.gz YJCBGGKTNWVEEP-FRRDWIJNSA-N 1 0 376.421 -1.164 20 0 GAADRO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001578420010 1075427351 /nfs/dbraw/zinc/42/73/51/1075427351.db2.gz QEFWJCNGMWZXEJ-LBPRGKRZSA-N 1 0 376.421 -1.162 20 0 GAADRO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O)[NH+](C)C ZINC001578420114 1075427330 /nfs/dbraw/zinc/42/73/30/1075427330.db2.gz LIPWHGMHCKGRRC-AGIUHOORSA-N 1 0 376.421 -1.164 20 0 GAADRO CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O)[NH+](C)C ZINC001578420206 1075427374 /nfs/dbraw/zinc/42/73/74/1075427374.db2.gz ZPPFNSOHDGVJNH-AGIUHOORSA-N 1 0 375.437 -1.029 20 0 GAADRO CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O)[NH+](C)C ZINC001578420207 1075427405 /nfs/dbraw/zinc/42/74/05/1075427405.db2.gz ZPPFNSOHDGVJNH-FRRDWIJNSA-N 1 0 375.437 -1.029 20 0 GAADRO CN(C)S(=O)(=O)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCS(=O)CC1 ZINC001578420501 1075427241 /nfs/dbraw/zinc/42/72/41/1075427241.db2.gz NBZKTPNUZSMMRX-TXEJJXNPSA-N 1 0 390.535 -1.057 20 0 GAADRO CN(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([NH3+])C1 ZINC001578420766 1075427396 /nfs/dbraw/zinc/42/73/96/1075427396.db2.gz UEPWKBIXJXXKNO-LBPRGKRZSA-N 1 0 385.494 -1.171 20 0 GAADRO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001578471482 1075428447 /nfs/dbraw/zinc/42/84/47/1075428447.db2.gz QEFWJCNGMWZXEJ-GFCCVEGCSA-N 1 0 376.421 -1.162 20 0 GAADRO CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O)[NH+](C)C ZINC001578472310 1075428327 /nfs/dbraw/zinc/42/83/27/1075428327.db2.gz ZPPFNSOHDGVJNH-JHJVBQTASA-N 1 0 375.437 -1.029 20 0 GAADRO CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O)[NH+](C)C ZINC001578472312 1075428346 /nfs/dbraw/zinc/42/83/46/1075428346.db2.gz ZPPFNSOHDGVJNH-UPJWGTAASA-N 1 0 375.437 -1.029 20 0 GAADRO CN(CCNS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CC1C[NH2+]C1 ZINC001578472930 1075428342 /nfs/dbraw/zinc/42/83/42/1075428342.db2.gz GYQZWRFYKMDTAC-UHFFFAOYSA-N 1 0 385.494 -1.395 20 0 GAADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1CCC(=O)N1 ZINC001578474675 1075428472 /nfs/dbraw/zinc/42/84/72/1075428472.db2.gz ZMAKHZRNSYTYDU-NEPJUHHUSA-N 1 0 385.494 -1.033 20 0 GAADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH3+])COC1)C1CC1 ZINC001578511053 1075428863 /nfs/dbraw/zinc/42/88/63/1075428863.db2.gz LMNCKKKZLKNVCF-GFCCVEGCSA-N 1 0 386.478 -1.063 20 0 GAADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH3+])COC1)C1CC1 ZINC001578511054 1075428781 /nfs/dbraw/zinc/42/87/81/1075428781.db2.gz LMNCKKKZLKNVCF-LBPRGKRZSA-N 1 0 386.478 -1.063 20 0 GAADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3COCCN3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001578525455 1075429362 /nfs/dbraw/zinc/42/93/62/1075429362.db2.gz GQQXYUNXNUVHAV-DEYYWGMASA-N 1 0 393.492 -1.293 20 0 GAADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3COCCN3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001578525456 1075429359 /nfs/dbraw/zinc/42/93/59/1075429359.db2.gz GQQXYUNXNUVHAV-IYOUNJFTSA-N 1 0 393.492 -1.293 20 0 GAADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3COCCN3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001578525457 1075429365 /nfs/dbraw/zinc/42/93/65/1075429365.db2.gz GQQXYUNXNUVHAV-PMUMKWKESA-N 1 0 393.492 -1.293 20 0 GAADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3COCCN3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001578525458 1075429335 /nfs/dbraw/zinc/42/93/35/1075429335.db2.gz GQQXYUNXNUVHAV-SUNYJGFJSA-N 1 0 393.492 -1.293 20 0 GAADRO CN1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCCNS(C)(=O)=O)CC1=O ZINC001578536570 1075429286 /nfs/dbraw/zinc/42/92/86/1075429286.db2.gz AHINIHIFTDJYPA-LBPRGKRZSA-N 1 0 385.494 -1.080 20 0 GAADRO CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([NH3+])COC2)CC1=O ZINC001578536727 1075429291 /nfs/dbraw/zinc/42/92/91/1075429291.db2.gz GBQXGLXXISZURF-LLVKDONJSA-N 1 0 384.462 -1.814 20 0 GAADRO CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([NH3+])COC2)CC1=O ZINC001578536730 1075429347 /nfs/dbraw/zinc/42/93/47/1075429347.db2.gz GBQXGLXXISZURF-NSHDSACASA-N 1 0 384.462 -1.814 20 0 GAADRO CNC(=O)[C@H]1CN(c2nnc(C3CC[NH2+]CC3)n2CC(=O)N(C)C)CCO1 ZINC001578547266 1075429838 /nfs/dbraw/zinc/42/98/38/1075429838.db2.gz BCNRRNAEKWVWLN-CYBMUJFWSA-N 1 0 379.465 -1.216 20 0 GAADRO CNC(=O)[C@@H]1CN(c2nnc(C3CC[NH2+]CC3)n2CC(=O)N(C)C)CCO1 ZINC001578547267 1075429865 /nfs/dbraw/zinc/42/98/65/1075429865.db2.gz BCNRRNAEKWVWLN-ZDUSSCGKSA-N 1 0 379.465 -1.216 20 0 GAADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3COCCN3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001578547570 1075429795 /nfs/dbraw/zinc/42/97/95/1075429795.db2.gz FCFDYNPQFPBANC-IHRRRGAJSA-N 1 0 381.481 -1.160 20 0 GAADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3COCCN3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001578547571 1075429846 /nfs/dbraw/zinc/42/98/46/1075429846.db2.gz FCFDYNPQFPBANC-MCIONIFRSA-N 1 0 381.481 -1.160 20 0 GAADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3COCCN3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001578547572 1075429829 /nfs/dbraw/zinc/42/98/29/1075429829.db2.gz FCFDYNPQFPBANC-MJBXVCDLSA-N 1 0 381.481 -1.160 20 0 GAADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3COCCN3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001578547573 1075429843 /nfs/dbraw/zinc/42/98/43/1075429843.db2.gz FCFDYNPQFPBANC-RDBSUJKOSA-N 1 0 381.481 -1.160 20 0 GAADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)C[NH3+])CCO1 ZINC001578548426 1075429870 /nfs/dbraw/zinc/42/98/70/1075429870.db2.gz MPXDJMNBAGNEKZ-JTQLQIEISA-N 1 0 389.407 -1.039 20 0 GAADRO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)C[NH3+])CCO1 ZINC001578548427 1075429857 /nfs/dbraw/zinc/42/98/57/1075429857.db2.gz MPXDJMNBAGNEKZ-SNVBAGLBSA-N 1 0 389.407 -1.039 20 0 GAADRO CNC(=O)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N(C)CCNS(C)(=O)=O ZINC001578555579 1075430292 /nfs/dbraw/zinc/43/02/92/1075430292.db2.gz ZFAOOTRFRHCSCV-GFCCVEGCSA-N 1 0 387.510 -1.133 20 0 GAADRO CNC(=O)CCn1c([C@H]2CCC[NH2+]C2)nnc1N(C)CCNS(C)(=O)=O ZINC001578555581 1075430375 /nfs/dbraw/zinc/43/03/75/1075430375.db2.gz ZFAOOTRFRHCSCV-LBPRGKRZSA-N 1 0 387.510 -1.133 20 0 GAADRO CNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC2([NH3+])COC2)CC1 ZINC001578560520 1075430354 /nfs/dbraw/zinc/43/03/54/1075430354.db2.gz ZINNORZNYFNXGK-UHFFFAOYSA-N 1 0 375.437 -1.132 20 0 GAADRO C[NH2+][C@H](C)Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001578578342 1075430925 /nfs/dbraw/zinc/43/09/25/1075430925.db2.gz FKWVMHXYUXUNEO-CYBMUJFWSA-N 1 0 379.465 -1.298 20 0 GAADRO C[NH2+][C@@H](C)Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001578578343 1075431198 /nfs/dbraw/zinc/43/11/98/1075431198.db2.gz FKWVMHXYUXUNEO-ZDUSSCGKSA-N 1 0 379.465 -1.298 20 0 GAADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001578596716 1075432463 /nfs/dbraw/zinc/43/24/63/1075432463.db2.gz ALRSNHNPNVHTTO-VXGBXAGGSA-N 1 0 375.437 -1.164 20 0 GAADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001578597215 1075433116 /nfs/dbraw/zinc/43/31/16/1075433116.db2.gz ALRSNHNPNVHTTO-NEPJUHHUSA-N 1 0 375.437 -1.164 20 0 GAADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597265 1075433053 /nfs/dbraw/zinc/43/30/53/1075433053.db2.gz CBFIFDPBPYDEQD-RTXFEEFZSA-N 1 0 387.448 -1.164 20 0 GAADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001578597267 1075433013 /nfs/dbraw/zinc/43/30/13/1075433013.db2.gz CBFIFDPBPYDEQD-UHTWSYAYSA-N 1 0 387.448 -1.164 20 0 GAADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001578597762 1075433542 /nfs/dbraw/zinc/43/35/42/1075433542.db2.gz WTHDMXIXUXZHJK-FRRDWIJNSA-N 1 0 387.448 -1.021 20 0 GAADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001578597768 1075434091 /nfs/dbraw/zinc/43/40/91/1075434091.db2.gz WTHDMXIXUXZHJK-JHJVBQTASA-N 1 0 387.448 -1.021 20 0 GAADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001578598083 1075434170 /nfs/dbraw/zinc/43/41/70/1075434170.db2.gz ZTMXXTGCUPKLIK-CHWSQXEVSA-N 1 0 387.448 -1.019 20 0 GAADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001578598596 1075434035 /nfs/dbraw/zinc/43/40/35/1075434035.db2.gz WTHDMXIXUXZHJK-AGIUHOORSA-N 1 0 387.448 -1.021 20 0 GAADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001578598597 1075434230 /nfs/dbraw/zinc/43/42/30/1075434230.db2.gz WTHDMXIXUXZHJK-UPJWGTAASA-N 1 0 387.448 -1.021 20 0 GAADRO C[NH2+]CCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001578698387 1075437670 /nfs/dbraw/zinc/43/76/70/1075437670.db2.gz WCAQMWWXZSYTBD-KBPBESRZSA-N 1 0 391.476 -1.071 20 0 GAADRO C[NH2+]CCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001578698388 1075437438 /nfs/dbraw/zinc/43/74/38/1075437438.db2.gz WCAQMWWXZSYTBD-KGLIPLIRSA-N 1 0 391.476 -1.071 20 0 GAADRO C[NH2+]CCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001578698389 1075437666 /nfs/dbraw/zinc/43/76/66/1075437666.db2.gz WCAQMWWXZSYTBD-UONOGXRCSA-N 1 0 391.476 -1.071 20 0 GAADRO C[NH2+]CCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001578698390 1075437617 /nfs/dbraw/zinc/43/76/17/1075437617.db2.gz WCAQMWWXZSYTBD-ZIAGYGMSSA-N 1 0 391.476 -1.071 20 0 GAADRO C[NH2+]CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001578721010 1075437981 /nfs/dbraw/zinc/43/79/81/1075437981.db2.gz KVRBEKDDKFGQQT-GHMZBOCLSA-N 1 0 387.466 -1.252 20 0 GAADRO C[NH2+]CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001578721013 1075438068 /nfs/dbraw/zinc/43/80/68/1075438068.db2.gz KVRBEKDDKFGQQT-MNOVXSKESA-N 1 0 387.466 -1.252 20 0 GAADRO C[NH2+]CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001578721014 1075438059 /nfs/dbraw/zinc/43/80/59/1075438059.db2.gz KVRBEKDDKFGQQT-QWRGUYRKSA-N 1 0 387.466 -1.252 20 0 GAADRO C[NH2+]CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001578721016 1075438053 /nfs/dbraw/zinc/43/80/53/1075438053.db2.gz KVRBEKDDKFGQQT-WDEREUQCSA-N 1 0 387.466 -1.252 20 0 GAADRO C[NH2+]CCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001578721263 1075437930 /nfs/dbraw/zinc/43/79/30/1075437930.db2.gz PGMOXXLVWYCBGL-GFCCVEGCSA-N 1 0 390.448 -2.120 20 0 GAADRO C[NH2+]CCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001578721264 1075438063 /nfs/dbraw/zinc/43/80/63/1075438063.db2.gz PGMOXXLVWYCBGL-LBPRGKRZSA-N 1 0 390.448 -2.120 20 0 GAADRO C[NH2+]CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 ZINC001578722007 1075438018 /nfs/dbraw/zinc/43/80/18/1075438018.db2.gz WZTPFDDCGCDDMK-LLVKDONJSA-N 1 0 389.482 -1.004 20 0 GAADRO C[NH2+]CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 ZINC001578722010 1075438051 /nfs/dbraw/zinc/43/80/51/1075438051.db2.gz WZTPFDDCGCDDMK-NSHDSACASA-N 1 0 389.482 -1.004 20 0 GAADRO CNS(=O)(=O)CCn1c(C2CC[NH2+]CC2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001578746044 1075438929 /nfs/dbraw/zinc/43/89/29/1075438929.db2.gz CHDXHLPWSCIQBD-GFCCVEGCSA-N 1 0 399.521 -1.039 20 0 GAADRO CNS(=O)(=O)CCn1c(C2CC[NH2+]CC2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001578746045 1075438923 /nfs/dbraw/zinc/43/89/23/1075438923.db2.gz CHDXHLPWSCIQBD-LBPRGKRZSA-N 1 0 399.521 -1.039 20 0 GAADRO CNS(=O)(=O)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCS(=O)CC1 ZINC001578746246 1075438965 /nfs/dbraw/zinc/43/89/65/1075438965.db2.gz GWZVWIZDHLRSJX-PHIMTYICSA-N 1 0 376.508 -1.399 20 0 GAADRO CNS(=O)(=O)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C(C)=O)CC1 ZINC001578746423 1075438932 /nfs/dbraw/zinc/43/89/32/1075438932.db2.gz KMWYSHCIIACHBF-BETUJISGSA-N 1 0 385.494 -1.300 20 0 GAADRO CNS(=O)(=O)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001578746800 1075438967 /nfs/dbraw/zinc/43/89/67/1075438967.db2.gz QRGSMHNTGJMTCI-CHWSQXEVSA-N 1 0 399.521 -1.039 20 0 GAADRO CNS(=O)(=O)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001578746802 1075438916 /nfs/dbraw/zinc/43/89/16/1075438916.db2.gz QRGSMHNTGJMTCI-OLZOCXBDSA-N 1 0 399.521 -1.039 20 0 GAADRO CNS(=O)(=O)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001578746804 1075438893 /nfs/dbraw/zinc/43/88/93/1075438893.db2.gz QRGSMHNTGJMTCI-QWHCGFSZSA-N 1 0 399.521 -1.039 20 0 GAADRO CNS(=O)(=O)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001578746805 1075438926 /nfs/dbraw/zinc/43/89/26/1075438926.db2.gz QRGSMHNTGJMTCI-STQMWFEESA-N 1 0 399.521 -1.039 20 0 GAADRO CCn1nc(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)ccc1=O ZINC001578802227 1075441378 /nfs/dbraw/zinc/44/13/78/1075441378.db2.gz PWMLPJGVQILVRJ-JTQLQIEISA-N 1 0 385.388 -1.537 20 0 GAADRO CCn1nc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)ccc1=O ZINC001578802229 1075441302 /nfs/dbraw/zinc/44/13/02/1075441302.db2.gz PWMLPJGVQILVRJ-SNVBAGLBSA-N 1 0 385.388 -1.537 20 0 GAADRO CCn1nc(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)ccc1=O ZINC001578802683 1075441215 /nfs/dbraw/zinc/44/12/15/1075441215.db2.gz SRXFZBDFPFGPAI-JTQLQIEISA-N 1 0 385.388 -1.537 20 0 GAADRO CCn1nc(C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)ccc1=O ZINC001578802684 1075441257 /nfs/dbraw/zinc/44/12/57/1075441257.db2.gz SRXFZBDFPFGPAI-SNVBAGLBSA-N 1 0 385.388 -1.537 20 0 GAADRO CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578857809 1075445688 /nfs/dbraw/zinc/44/56/88/1075445688.db2.gz COZFRGZUYIRJDS-SRHKJQAYSA-N 1 0 392.445 -1.223 20 0 GAADRO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578857810 1075446055 /nfs/dbraw/zinc/44/60/55/1075446055.db2.gz COZFRGZUYIRJDS-ZPPKWKGLSA-N 1 0 392.445 -1.223 20 0 GAADRO CN(C(=O)CN1CCNC(=O)C1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578878014 1075448396 /nfs/dbraw/zinc/44/83/96/1075448396.db2.gz HBARNKPGHOQBSZ-UHFFFAOYSA-N 1 0 385.432 -1.483 20 0 GAADRO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578888452 1075450653 /nfs/dbraw/zinc/45/06/53/1075450653.db2.gz UHPWRRGXNWRDQF-KWPJZBAWSA-N 1 0 385.388 -1.317 20 0 GAADRO CN(C(=O)Cn1ncn(C)c1=O)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578888949 1075451191 /nfs/dbraw/zinc/45/11/91/1075451191.db2.gz ZNIQWAFPCGHEFZ-UHFFFAOYSA-N 1 0 384.404 -1.320 20 0 GAADRO CN(C)C(=O)CCCC(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578957195 1075456134 /nfs/dbraw/zinc/45/61/34/1075456134.db2.gz SIFPVRDEEBQLBI-LLVKDONJSA-N 1 0 376.421 -1.169 20 0 GAADRO CN(C)C(=O)CCCC(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578957196 1075456156 /nfs/dbraw/zinc/45/61/56/1075456156.db2.gz SIFPVRDEEBQLBI-NSHDSACASA-N 1 0 376.421 -1.169 20 0 GAADRO CN(C)C(=O)CCCC(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578957445 1075456540 /nfs/dbraw/zinc/45/65/40/1075456540.db2.gz YKWXZAZKTUYMOL-LLVKDONJSA-N 1 0 376.421 -1.169 20 0 GAADRO CN(C)C(=O)CCCC(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578957446 1075456481 /nfs/dbraw/zinc/45/64/81/1075456481.db2.gz YKWXZAZKTUYMOL-NSHDSACASA-N 1 0 376.421 -1.169 20 0 GAADRO CN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578958600 1075456515 /nfs/dbraw/zinc/45/65/15/1075456515.db2.gz FIXLXGALIQRDOX-INIZCTEOSA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578958601 1075456657 /nfs/dbraw/zinc/45/66/57/1075456657.db2.gz FIXLXGALIQRDOX-MRXNPFEDSA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001578958603 1075456525 /nfs/dbraw/zinc/45/65/25/1075456525.db2.gz FKYBTWYQPBYGST-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578959192 1075457028 /nfs/dbraw/zinc/45/70/28/1075457028.db2.gz PFLWFDLAWHRVPB-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578959194 1075457083 /nfs/dbraw/zinc/45/70/83/1075457083.db2.gz PGKGTOXXURQSDN-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578959991 1075457019 /nfs/dbraw/zinc/45/70/19/1075457019.db2.gz ZXRQTVGQGCBEGM-INIZCTEOSA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578959992 1075457008 /nfs/dbraw/zinc/45/70/08/1075457008.db2.gz ZXRQTVGQGCBEGM-MRXNPFEDSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCC1 ZINC001578962255 1075457562 /nfs/dbraw/zinc/45/75/62/1075457562.db2.gz LHIMHJNUWAGYBS-UHFFFAOYSA-N 1 0 388.432 -1.018 20 0 GAADRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CCC1 ZINC001578962422 1075457526 /nfs/dbraw/zinc/45/75/26/1075457526.db2.gz RCAIFFKBLRRNRW-UHFFFAOYSA-N 1 0 388.432 -1.018 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC1 ZINC001578963502 1075457567 /nfs/dbraw/zinc/45/75/67/1075457567.db2.gz DCVCXTPJRJUFEI-JTQLQIEISA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC1 ZINC001578963503 1075457666 /nfs/dbraw/zinc/45/76/66/1075457666.db2.gz DCVCXTPJRJUFEI-SNVBAGLBSA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CCC1 ZINC001578963732 1075457659 /nfs/dbraw/zinc/45/76/59/1075457659.db2.gz FGHIMBXOWKAOJM-CHWSQXEVSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC1 ZINC001578963737 1075457509 /nfs/dbraw/zinc/45/75/09/1075457509.db2.gz FJGMROWZGIOAHJ-LLVKDONJSA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC1 ZINC001578963738 1075457537 /nfs/dbraw/zinc/45/75/37/1075457537.db2.gz FJGMROWZGIOAHJ-NSHDSACASA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 ZINC001578963758 1075457501 /nfs/dbraw/zinc/45/75/01/1075457501.db2.gz GIECRUWITCAFNF-LLVKDONJSA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 ZINC001578963759 1075457653 /nfs/dbraw/zinc/45/76/53/1075457653.db2.gz GIECRUWITCAFNF-NSHDSACASA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCC1 ZINC001578963795 1075457596 /nfs/dbraw/zinc/45/75/96/1075457596.db2.gz HRLHHKWACAYEOI-UHFFFAOYSA-N 1 0 388.432 -1.018 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC1 ZINC001578964286 1075457494 /nfs/dbraw/zinc/45/74/94/1075457494.db2.gz JRSRQPSVFRLRDG-LLVKDONJSA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC1 ZINC001578964289 1075457558 /nfs/dbraw/zinc/45/75/58/1075457558.db2.gz JRSRQPSVFRLRDG-NSHDSACASA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCC1 ZINC001578964326 1075457592 /nfs/dbraw/zinc/45/75/92/1075457592.db2.gz KWDJMCAYBMKZAQ-CHWSQXEVSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)CCC1 ZINC001578964327 1075457473 /nfs/dbraw/zinc/45/74/73/1075457473.db2.gz KWDJMCAYBMKZAQ-OLZOCXBDSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC1 ZINC001578964607 1075457517 /nfs/dbraw/zinc/45/75/17/1075457517.db2.gz LIWJZHPAHSBSSH-JTQLQIEISA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC1 ZINC001578964612 1075457896 /nfs/dbraw/zinc/45/78/96/1075457896.db2.gz LIWJZHPAHSBSSH-SNVBAGLBSA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CCC1 ZINC001578964622 1075457935 /nfs/dbraw/zinc/45/79/35/1075457935.db2.gz LODCOHWVWXKJHL-UHFFFAOYSA-N 1 0 388.432 -1.018 20 0 GAADRO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CCC1 ZINC001578964639 1075457969 /nfs/dbraw/zinc/45/79/69/1075457969.db2.gz LQLZBUAQZUTEKA-CHWSQXEVSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)CCC1 ZINC001578964643 1075457981 /nfs/dbraw/zinc/45/79/81/1075457981.db2.gz LQLZBUAQZUTEKA-OLZOCXBDSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC1 ZINC001578965338 1075457924 /nfs/dbraw/zinc/45/79/24/1075457924.db2.gz ROQCIKGMOUYJTE-LLVKDONJSA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC1 ZINC001578965339 1075457971 /nfs/dbraw/zinc/45/79/71/1075457971.db2.gz ROQCIKGMOUYJTE-NSHDSACASA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC1 ZINC001578965648 1075457961 /nfs/dbraw/zinc/45/79/61/1075457961.db2.gz WKTZTPPUVIPSLK-JTQLQIEISA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC1 ZINC001578965649 1075457987 /nfs/dbraw/zinc/45/79/87/1075457987.db2.gz WKTZTPPUVIPSLK-SNVBAGLBSA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 ZINC001578965653 1075457949 /nfs/dbraw/zinc/45/79/49/1075457949.db2.gz WPKLCBKQFIGHSY-LLVKDONJSA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 ZINC001578965654 1075457991 /nfs/dbraw/zinc/45/79/91/1075457991.db2.gz WPKLCBKQFIGHSY-NSHDSACASA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 ZINC001578965679 1075457906 /nfs/dbraw/zinc/45/79/06/1075457906.db2.gz XIWKHAAYFSOSFJ-LLVKDONJSA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 ZINC001578965680 1075457976 /nfs/dbraw/zinc/45/79/76/1075457976.db2.gz XIWKHAAYFSOSFJ-NSHDSACASA-N 1 0 376.421 -1.114 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)CCC1 ZINC001578966242 1075457901 /nfs/dbraw/zinc/45/79/01/1075457901.db2.gz MGMIJPAULTVDDT-CHWSQXEVSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)CCC1 ZINC001578966243 1075457943 /nfs/dbraw/zinc/45/79/43/1075457943.db2.gz MGMIJPAULTVDDT-OLZOCXBDSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)CCC1 ZINC001578966253 1075457940 /nfs/dbraw/zinc/45/79/40/1075457940.db2.gz MXUJCDJJXRCQRA-CHWSQXEVSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)CCC1 ZINC001578966439 1075457956 /nfs/dbraw/zinc/45/79/56/1075457956.db2.gz SKULRDAFSTZYCU-CHWSQXEVSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)CCC1 ZINC001578966440 1075457966 /nfs/dbraw/zinc/45/79/66/1075457966.db2.gz SKULRDAFSTZYCU-OLZOCXBDSA-N 1 0 388.432 -1.019 20 0 GAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001578968569 1075458528 /nfs/dbraw/zinc/45/85/28/1075458528.db2.gz JTWYRCXNFQFLER-UHFFFAOYSA-N 1 0 388.432 -1.160 20 0 GAADRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001578969394 1075458412 /nfs/dbraw/zinc/45/84/12/1075458412.db2.gz WHNNWIZFLKVMAG-UHFFFAOYSA-N 1 0 388.432 -1.160 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578970457 1075458430 /nfs/dbraw/zinc/45/84/30/1075458430.db2.gz BVEZOSYITSJFQM-LLVKDONJSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578970458 1075458385 /nfs/dbraw/zinc/45/83/85/1075458385.db2.gz BVEZOSYITSJFQM-NSHDSACASA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001578970752 1075458460 /nfs/dbraw/zinc/45/84/60/1075458460.db2.gz ICWPLJNFZDITFV-CHWSQXEVSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)CC1 ZINC001578970753 1075458519 /nfs/dbraw/zinc/45/85/19/1075458519.db2.gz ICWPLJNFZDITFV-OLZOCXBDSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001578970760 1075458443 /nfs/dbraw/zinc/45/84/43/1075458443.db2.gz IHVNLYZGZIGXBJ-CHWSQXEVSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001578970932 1075458585 /nfs/dbraw/zinc/45/85/85/1075458585.db2.gz ORQFQLNUHFJSEO-CHWSQXEVSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)CC1 ZINC001578970933 1075458607 /nfs/dbraw/zinc/45/86/07/1075458607.db2.gz ORQFQLNUHFJSEO-OLZOCXBDSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001578971030 1075458550 /nfs/dbraw/zinc/45/85/50/1075458550.db2.gz RDLBVWDBSZNAED-LLVKDONJSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001578971031 1075458510 /nfs/dbraw/zinc/45/85/10/1075458510.db2.gz RDLBVWDBSZNAED-NSHDSACASA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578971176 1075458399 /nfs/dbraw/zinc/45/83/99/1075458399.db2.gz WQBFANUKJXQHOE-JTQLQIEISA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578971177 1075459121 /nfs/dbraw/zinc/45/91/21/1075459121.db2.gz WQBFANUKJXQHOE-SNVBAGLBSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578971273 1075458986 /nfs/dbraw/zinc/45/89/86/1075458986.db2.gz AJLUTNWOKNAZHH-LLVKDONJSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578971274 1075459054 /nfs/dbraw/zinc/45/90/54/1075459054.db2.gz AJLUTNWOKNAZHH-NSHDSACASA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578971279 1075459094 /nfs/dbraw/zinc/45/90/94/1075459094.db2.gz AMWISGOYIXGLIY-JTQLQIEISA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578971280 1075458974 /nfs/dbraw/zinc/45/89/74/1075458974.db2.gz AMWISGOYIXGLIY-SNVBAGLBSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001578971484 1075459010 /nfs/dbraw/zinc/45/90/10/1075459010.db2.gz HATWNEZROYGHNX-LLVKDONJSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001578971485 1075459189 /nfs/dbraw/zinc/45/91/89/1075459189.db2.gz HATWNEZROYGHNX-NSHDSACASA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578971507 1075459023 /nfs/dbraw/zinc/45/90/23/1075459023.db2.gz IHXNSPUQHKGQMM-JTQLQIEISA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578971508 1075458996 /nfs/dbraw/zinc/45/89/96/1075458996.db2.gz IHXNSPUQHKGQMM-SNVBAGLBSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001578971755 1075459068 /nfs/dbraw/zinc/45/90/68/1075459068.db2.gz JUEAFXJHTWTMRB-UHFFFAOYSA-N 1 0 388.432 -1.160 20 0 GAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001578972545 1075459135 /nfs/dbraw/zinc/45/91/35/1075459135.db2.gz QTCVNZDXFKYGCW-UHFFFAOYSA-N 1 0 388.432 -1.160 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001578972564 1075458948 /nfs/dbraw/zinc/45/89/48/1075458948.db2.gz RMIKAFOTCAXFKS-LLVKDONJSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001578972567 1075458963 /nfs/dbraw/zinc/45/89/63/1075458963.db2.gz RMIKAFOTCAXFKS-NSHDSACASA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)CC1 ZINC001578972583 1075459109 /nfs/dbraw/zinc/45/91/09/1075459109.db2.gz RUSNIZKOEXCKFB-CHWSQXEVSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)CC1 ZINC001578972586 1075459040 /nfs/dbraw/zinc/45/90/40/1075459040.db2.gz RUSNIZKOEXCKFB-OLZOCXBDSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)CC1 ZINC001578972614 1075459164 /nfs/dbraw/zinc/45/91/64/1075459164.db2.gz SEDIRGJJFMWZIX-CHWSQXEVSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)CC1 ZINC001578972616 1075459151 /nfs/dbraw/zinc/45/91/51/1075459151.db2.gz SEDIRGJJFMWZIX-OLZOCXBDSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578973072 1075459083 /nfs/dbraw/zinc/45/90/83/1075459083.db2.gz WLFKOPVDQJFVLV-LLVKDONJSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578973073 1075459504 /nfs/dbraw/zinc/45/95/04/1075459504.db2.gz WLFKOPVDQJFVLV-NSHDSACASA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)CC1 ZINC001578973346 1075459551 /nfs/dbraw/zinc/45/95/51/1075459551.db2.gz YEYCXRCICNREQG-CHWSQXEVSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)CC1 ZINC001578973347 1075459534 /nfs/dbraw/zinc/45/95/34/1075459534.db2.gz YEYCXRCICNREQG-OLZOCXBDSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001578973402 1075459637 /nfs/dbraw/zinc/45/96/37/1075459637.db2.gz ZUKFLIAZPDHZII-UHFFFAOYSA-N 1 0 388.432 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578973802 1075459420 /nfs/dbraw/zinc/45/94/20/1075459420.db2.gz BTAQVUJKBRFBRP-INIZCTEOSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578973803 1075459386 /nfs/dbraw/zinc/45/93/86/1075459386.db2.gz BTAQVUJKBRFBRP-MRXNPFEDSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001578973836 1075459404 /nfs/dbraw/zinc/45/94/04/1075459404.db2.gz CUIHHFGEYYGOHC-AAEUAGOBSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001578973837 1075459598 /nfs/dbraw/zinc/45/95/98/1075459598.db2.gz CUIHHFGEYYGOHC-DGCLKSJQSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001578973838 1075459585 /nfs/dbraw/zinc/45/95/85/1075459585.db2.gz CUIHHFGEYYGOHC-WCQYABFASA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001578973839 1075459671 /nfs/dbraw/zinc/45/96/71/1075459671.db2.gz CUIHHFGEYYGOHC-YPMHNXCESA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578973944 1075459478 /nfs/dbraw/zinc/45/94/78/1075459478.db2.gz CYTFHCZODFLFHE-INIZCTEOSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578973945 1075459433 /nfs/dbraw/zinc/45/94/33/1075459433.db2.gz CYTFHCZODFLFHE-MRXNPFEDSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578974561 1075459521 /nfs/dbraw/zinc/45/95/21/1075459521.db2.gz PFLVXLNCQNYCET-INIZCTEOSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578974562 1075459449 /nfs/dbraw/zinc/45/94/49/1075459449.db2.gz PFLVXLNCQNYCET-MRXNPFEDSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578974621 1075459492 /nfs/dbraw/zinc/45/94/92/1075459492.db2.gz PUDGTFXFMYBTEJ-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578974702 1075459568 /nfs/dbraw/zinc/45/95/68/1075459568.db2.gz RETZEFDCYULFBD-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001578974915 1075460046 /nfs/dbraw/zinc/46/00/46/1075460046.db2.gz XHWGOMUEOPDPIW-GWCFXTLKSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001578974916 1075460107 /nfs/dbraw/zinc/46/01/07/1075460107.db2.gz XHWGOMUEOPDPIW-GXFFZTMASA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001578974917 1075460086 /nfs/dbraw/zinc/46/00/86/1075460086.db2.gz XHWGOMUEOPDPIW-MFKMUULPSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001578974918 1075460100 /nfs/dbraw/zinc/46/01/00/1075460100.db2.gz XHWGOMUEOPDPIW-ZWNOBZJWSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578975959 1075460065 /nfs/dbraw/zinc/46/00/65/1075460065.db2.gz LTTQWFHFJHBAGD-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578975987 1075460071 /nfs/dbraw/zinc/46/00/71/1075460071.db2.gz MPOVBJKMZHDMRI-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578976169 1075460127 /nfs/dbraw/zinc/46/01/27/1075460127.db2.gz PVZIPPBIPJXKJY-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001578977810 1075460135 /nfs/dbraw/zinc/46/01/35/1075460135.db2.gz AIPDHZYPEFPLRD-GWCFXTLKSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001578977813 1075460004 /nfs/dbraw/zinc/46/00/04/1075460004.db2.gz AIPDHZYPEFPLRD-GXFFZTMASA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001578977815 1075460043 /nfs/dbraw/zinc/46/00/43/1075460043.db2.gz AIPDHZYPEFPLRD-MFKMUULPSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001578977816 1075460013 /nfs/dbraw/zinc/46/00/13/1075460013.db2.gz AIPDHZYPEFPLRD-ZWNOBZJWSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001578977927 1075460024 /nfs/dbraw/zinc/46/00/24/1075460024.db2.gz BLZKDWRKQGRWOX-AAEUAGOBSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001578977928 1075460080 /nfs/dbraw/zinc/46/00/80/1075460080.db2.gz BLZKDWRKQGRWOX-DGCLKSJQSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001578977929 1075460035 /nfs/dbraw/zinc/46/00/35/1075460035.db2.gz BLZKDWRKQGRWOX-WCQYABFASA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001578977930 1075460121 /nfs/dbraw/zinc/46/01/21/1075460121.db2.gz BLZKDWRKQGRWOX-YPMHNXCESA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001578979283 1075460052 /nfs/dbraw/zinc/46/00/52/1075460052.db2.gz YWEAHOVSYOBEPF-AAEUAGOBSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001578979284 1075459991 /nfs/dbraw/zinc/45/99/91/1075459991.db2.gz YWEAHOVSYOBEPF-DGCLKSJQSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001578979285 1075460113 /nfs/dbraw/zinc/46/01/13/1075460113.db2.gz YWEAHOVSYOBEPF-WCQYABFASA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001578979286 1075460639 /nfs/dbraw/zinc/46/06/39/1075460639.db2.gz YWEAHOVSYOBEPF-YPMHNXCESA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578980115 1075460540 /nfs/dbraw/zinc/46/05/40/1075460540.db2.gz APHUUMDKGOIXQQ-INIZCTEOSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578980116 1075460561 /nfs/dbraw/zinc/46/05/61/1075460561.db2.gz APHUUMDKGOIXQQ-MRXNPFEDSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578980920 1075460650 /nfs/dbraw/zinc/46/06/50/1075460650.db2.gz QXKKTFWHJXFEDS-INIZCTEOSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578980921 1075460595 /nfs/dbraw/zinc/46/05/95/1075460595.db2.gz QXKKTFWHJXFEDS-MRXNPFEDSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578981212 1075460586 /nfs/dbraw/zinc/46/05/86/1075460586.db2.gz UKIRCBUCBLWZQZ-INIZCTEOSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578981213 1075460571 /nfs/dbraw/zinc/46/05/71/1075460571.db2.gz UKIRCBUCBLWZQZ-MRXNPFEDSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578982455 1075460630 /nfs/dbraw/zinc/46/06/30/1075460630.db2.gz PXVDBMLPLHUSLV-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578982463 1075460610 /nfs/dbraw/zinc/46/06/10/1075460610.db2.gz QLJRKSHZPKVXCM-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578982678 1075460674 /nfs/dbraw/zinc/46/06/74/1075460674.db2.gz YPTSCOGDBNKNEN-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001578983286 1075460504 /nfs/dbraw/zinc/46/05/04/1075460504.db2.gz GFCJDWZROXRNTR-OLZOCXBDSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578983752 1075460529 /nfs/dbraw/zinc/46/05/29/1075460529.db2.gz QJFPEEFAUDPEPG-CHWSQXEVSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578984216 1075460488 /nfs/dbraw/zinc/46/04/88/1075460488.db2.gz WYAJDJVTPCDAEN-CHWSQXEVSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578987607 1075460618 /nfs/dbraw/zinc/46/06/18/1075460618.db2.gz KVCLDTKQVONPBN-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001578990437 1075460552 /nfs/dbraw/zinc/46/05/52/1075460552.db2.gz ATZDWPLJTNOILC-CHWSQXEVSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001578990438 1075460663 /nfs/dbraw/zinc/46/06/63/1075460663.db2.gz ATZDWPLJTNOILC-OLZOCXBDSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001578990780 1075460463 /nfs/dbraw/zinc/46/04/63/1075460463.db2.gz JWWFSPHFWYOVEZ-CHWSQXEVSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001578990781 1075460604 /nfs/dbraw/zinc/46/06/04/1075460604.db2.gz JWWFSPHFWYOVEZ-OLZOCXBDSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001578990916 1075460516 /nfs/dbraw/zinc/46/05/16/1075460516.db2.gz LRJPHKHVTZJPGY-CHWSQXEVSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001578990917 1075461233 /nfs/dbraw/zinc/46/12/33/1075461233.db2.gz LRJPHKHVTZJPGY-OLZOCXBDSA-N 1 0 376.421 -1.162 20 0 GAADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001578991699 1075461239 /nfs/dbraw/zinc/46/12/39/1075461239.db2.gz YJHDUFZQPNAFAI-UHFFFAOYSA-N 1 0 379.425 -1.919 20 0 GAADRO 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YXIRMOPVLYJLAY-JTQLQIEISA-N 1 0 384.404 -1.258 20 0 GAADRO CN(C)c1cnc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001579002827 1075465641 /nfs/dbraw/zinc/46/56/41/1075465641.db2.gz YXIRMOPVLYJLAY-SNVBAGLBSA-N 1 0 384.404 -1.258 20 0 GAADRO CN(CC(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C1CC1 ZINC001579003481 1075465800 /nfs/dbraw/zinc/46/58/00/1075465800.db2.gz AYZXSZUHZRPJRE-UHFFFAOYSA-N 1 0 388.432 -1.215 20 0 GAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001579004280 1075465679 /nfs/dbraw/zinc/46/56/79/1075465679.db2.gz OFXBEDPITKHTGJ-UHFFFAOYSA-N 1 0 388.432 -1.018 20 0 GAADRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)C1CCC1 ZINC001579004501 1075465745 /nfs/dbraw/zinc/46/57/45/1075465745.db2.gz PNQFZILFXYBTRV-UHFFFAOYSA-N 1 0 388.432 -1.018 20 0 GAADRO C[N@H+](CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1)C1CCC1 ZINC001579005717 1075466178 /nfs/dbraw/zinc/46/61/78/1075466178.db2.gz BMCKJUMFWWWFEI-KGLIPLIRSA-N 1 0 388.432 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C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579006212 1075466618 /nfs/dbraw/zinc/46/66/18/1075466618.db2.gz RZJZFPCIKUDFRC-SECBINFHSA-N 1 0 375.393 -1.216 20 0 GAADRO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579006213 1075466677 /nfs/dbraw/zinc/46/66/77/1075466677.db2.gz RZJZFPCIKUDFRC-VIFPVBQESA-N 1 0 375.393 -1.216 20 0 GAADRO CN(CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001579006244 1075466693 /nfs/dbraw/zinc/46/66/93/1075466693.db2.gz UCROTEXIYBBPKQ-JTQLQIEISA-N 1 0 380.434 -1.412 20 0 GAADRO CN(CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001579006245 1075467161 /nfs/dbraw/zinc/46/71/61/1075467161.db2.gz UCROTEXIYBBPKQ-SNVBAGLBSA-N 1 0 380.434 -1.412 20 0 GAADRO C[N@H+](CC(=O)NC(N)=O)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579006367 1075467140 /nfs/dbraw/zinc/46/71/40/1075467140.db2.gz YXNJERGMQIDCJZ-UHFFFAOYSA-N 1 0 375.393 -1.074 20 0 GAADRO 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CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579036001 1075492444 /nfs/dbraw/zinc/49/24/44/1075492444.db2.gz KOVXSZPEAUYUDO-NEPJUHHUSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579036002 1075492422 /nfs/dbraw/zinc/49/24/22/1075492422.db2.gz KOVXSZPEAUYUDO-NWDGAFQWSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579036003 1075492394 /nfs/dbraw/zinc/49/23/94/1075492394.db2.gz KOVXSZPEAUYUDO-RYUDHWBXSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579036004 1075492370 /nfs/dbraw/zinc/49/23/70/1075492370.db2.gz KOVXSZPEAUYUDO-VXGBXAGGSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579036068 1075492899 /nfs/dbraw/zinc/49/28/99/1075492899.db2.gz TWDXJUBJULYYIP-AAEUAGOBSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579036070 1075492908 /nfs/dbraw/zinc/49/29/08/1075492908.db2.gz TWDXJUBJULYYIP-DGCLKSJQSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579036073 1075492793 /nfs/dbraw/zinc/49/27/93/1075492793.db2.gz TWDXJUBJULYYIP-WCQYABFASA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579036075 1075492817 /nfs/dbraw/zinc/49/28/17/1075492817.db2.gz TWDXJUBJULYYIP-YPMHNXCESA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579036237 1075492381 /nfs/dbraw/zinc/49/23/81/1075492381.db2.gz KWKBNBKJMGGSQI-GHMZBOCLSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579036238 1075492414 /nfs/dbraw/zinc/49/24/14/1075492414.db2.gz KWKBNBKJMGGSQI-MNOVXSKESA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579036239 1075492871 /nfs/dbraw/zinc/49/28/71/1075492871.db2.gz KWKBNBKJMGGSQI-QWRGUYRKSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579036240 1075492880 /nfs/dbraw/zinc/49/28/80/1075492880.db2.gz KWKBNBKJMGGSQI-WDEREUQCSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036681 1075493971 /nfs/dbraw/zinc/49/39/71/1075493971.db2.gz PFUQBUOTKGJLNT-NEPJUHHUSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036682 1075493997 /nfs/dbraw/zinc/49/39/97/1075493997.db2.gz PFUQBUOTKGJLNT-NWDGAFQWSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036683 1075494466 /nfs/dbraw/zinc/49/44/66/1075494466.db2.gz PFUQBUOTKGJLNT-RYUDHWBXSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036684 1075494561 /nfs/dbraw/zinc/49/45/61/1075494561.db2.gz PFUQBUOTKGJLNT-VXGBXAGGSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036699 1075494506 /nfs/dbraw/zinc/49/45/06/1075494506.db2.gz PUHANXVPZKFVKU-GFCCVEGCSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036700 1075494493 /nfs/dbraw/zinc/49/44/93/1075494493.db2.gz PUHANXVPZKFVKU-LBPRGKRZSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579036715 1075494538 /nfs/dbraw/zinc/49/45/38/1075494538.db2.gz QEBIVKCWSQYBKE-GFCCVEGCSA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579036716 1075494483 /nfs/dbraw/zinc/49/44/83/1075494483.db2.gz QEBIVKCWSQYBKE-LBPRGKRZSA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036798 1075494555 /nfs/dbraw/zinc/49/45/55/1075494555.db2.gz QWRVYNXAWBRGHY-NEPJUHHUSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036799 1075494459 /nfs/dbraw/zinc/49/44/59/1075494459.db2.gz QWRVYNXAWBRGHY-NWDGAFQWSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036800 1075494469 /nfs/dbraw/zinc/49/44/69/1075494469.db2.gz QWRVYNXAWBRGHY-RYUDHWBXSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579036801 1075494542 /nfs/dbraw/zinc/49/45/42/1075494542.db2.gz QWRVYNXAWBRGHY-VXGBXAGGSA-N 1 0 386.420 -1.004 20 0 GAADRO CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579036836 1075494549 /nfs/dbraw/zinc/49/45/49/1075494549.db2.gz RVNZATPDWHNFHF-CMPLNLGQSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579036837 1075494462 /nfs/dbraw/zinc/49/44/62/1075494462.db2.gz RVNZATPDWHNFHF-JQWIXIFHSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579036838 1075494485 /nfs/dbraw/zinc/49/44/85/1075494485.db2.gz RVNZATPDWHNFHF-PWSUYJOCSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579036839 1075494511 /nfs/dbraw/zinc/49/45/11/1075494511.db2.gz RVNZATPDWHNFHF-ZYHUDNBSSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579037000 1075494447 /nfs/dbraw/zinc/49/44/47/1075494447.db2.gz SZBAIJAVKSRDHX-NEPJUHHUSA-N 1 0 389.420 -1.525 20 0 GAADRO CN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579037001 1075494518 /nfs/dbraw/zinc/49/45/18/1075494518.db2.gz SZBAIJAVKSRDHX-NWDGAFQWSA-N 1 0 389.420 -1.525 20 0 GAADRO CN(C[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579037002 1075494864 /nfs/dbraw/zinc/49/48/64/1075494864.db2.gz SZBAIJAVKSRDHX-RYUDHWBXSA-N 1 0 389.420 -1.525 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579037003 1075494852 /nfs/dbraw/zinc/49/48/52/1075494852.db2.gz SZBAIJAVKSRDHX-VXGBXAGGSA-N 1 0 389.420 -1.525 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579037032 1075494886 /nfs/dbraw/zinc/49/48/86/1075494886.db2.gz UHMNHFHPYFGLMQ-CHWSQXEVSA-N 1 0 389.420 -1.525 20 0 GAADRO CN(C[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579037033 1075494786 /nfs/dbraw/zinc/49/47/86/1075494786.db2.gz UHMNHFHPYFGLMQ-OLZOCXBDSA-N 1 0 389.420 -1.525 20 0 GAADRO CN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579037034 1075494932 /nfs/dbraw/zinc/49/49/32/1075494932.db2.gz UHMNHFHPYFGLMQ-QWHCGFSZSA-N 1 0 389.420 -1.525 20 0 GAADRO CN(C[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579037035 1075494973 /nfs/dbraw/zinc/49/49/73/1075494973.db2.gz UHMNHFHPYFGLMQ-STQMWFEESA-N 1 0 389.420 -1.525 20 0 GAADRO CN(C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579037050 1075494937 /nfs/dbraw/zinc/49/49/37/1075494937.db2.gz UMIVRUKECBPYJO-GWCFXTLKSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579037051 1075494840 /nfs/dbraw/zinc/49/48/40/1075494840.db2.gz UMIVRUKECBPYJO-GXFFZTMASA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579037052 1075494826 /nfs/dbraw/zinc/49/48/26/1075494826.db2.gz UMIVRUKECBPYJO-MFKMUULPSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579037053 1075494810 /nfs/dbraw/zinc/49/48/10/1075494810.db2.gz UMIVRUKECBPYJO-ZWNOBZJWSA-N 1 0 376.421 -1.162 20 0 GAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCOCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579037344 1075495272 /nfs/dbraw/zinc/49/52/72/1075495272.db2.gz WZWCFSKVPFJFOX-GFCCVEGCSA-N 1 0 392.420 -1.924 20 0 GAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579037345 1075495296 /nfs/dbraw/zinc/49/52/96/1075495296.db2.gz WZWCFSKVPFJFOX-LBPRGKRZSA-N 1 0 392.420 -1.924 20 0 GAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCOCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579037362 1075495187 /nfs/dbraw/zinc/49/51/87/1075495187.db2.gz XETWESLSSIVFTC-LLVKDONJSA-N 1 0 392.420 -1.924 20 0 GAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579037364 1075495286 /nfs/dbraw/zinc/49/52/86/1075495286.db2.gz XETWESLSSIVFTC-NSHDSACASA-N 1 0 392.420 -1.924 20 0 GAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCOCC1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579037524 1075495196 /nfs/dbraw/zinc/49/51/96/1075495196.db2.gz YLSTUJLHBMAAAI-GFCCVEGCSA-N 1 0 392.420 -1.924 20 0 GAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579037525 1075495303 /nfs/dbraw/zinc/49/53/03/1075495303.db2.gz YLSTUJLHBMAAAI-LBPRGKRZSA-N 1 0 392.420 -1.924 20 0 GAADRO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579037568 1075495522 /nfs/dbraw/zinc/49/55/22/1075495522.db2.gz ZKTNGFNWDDGKHY-LLVKDONJSA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579037569 1075495634 /nfs/dbraw/zinc/49/56/34/1075495634.db2.gz ZKTNGFNWDDGKHY-NSHDSACASA-N 1 0 376.421 -1.160 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCNC(N)=O ZINC001579037928 1075495596 /nfs/dbraw/zinc/49/55/96/1075495596.db2.gz DXJIYVOIAIGETD-CYBMUJFWSA-N 1 0 376.421 -1.166 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCNC(N)=O ZINC001579037929 1075495615 /nfs/dbraw/zinc/49/56/15/1075495615.db2.gz DXJIYVOIAIGETD-ZDUSSCGKSA-N 1 0 376.421 -1.166 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)c1nnn(C)n1 ZINC001579038029 1075495481 /nfs/dbraw/zinc/49/54/81/1075495481.db2.gz GSIOIAPDTGKOEE-JTQLQIEISA-N 1 0 390.383 -1.248 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)c1nnn(C)n1 ZINC001579038032 1075495465 /nfs/dbraw/zinc/49/54/65/1075495465.db2.gz GSIOIAPDTGKOEE-SNVBAGLBSA-N 1 0 390.383 -1.248 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)Cn1ncnn1 ZINC001579038230 1075495508 /nfs/dbraw/zinc/49/55/08/1075495508.db2.gz IJCWSWYFVPUWRJ-LLVKDONJSA-N 1 0 390.383 -1.399 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)Cn1ncnn1 ZINC001579038232 1075495540 /nfs/dbraw/zinc/49/55/40/1075495540.db2.gz IJCWSWYFVPUWRJ-NSHDSACASA-N 1 0 390.383 -1.399 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cn1cnnn1 ZINC001579038320 1075495656 /nfs/dbraw/zinc/49/56/56/1075495656.db2.gz JDEFLBPXGQJQEW-GFCCVEGCSA-N 1 0 390.383 -1.399 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cn1cnnn1 ZINC001579038321 1075495647 /nfs/dbraw/zinc/49/56/47/1075495647.db2.gz JDEFLBPXGQJQEW-LBPRGKRZSA-N 1 0 390.383 -1.399 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)[C@@H]1CNC(=O)N1 ZINC001579038374 1075495556 /nfs/dbraw/zinc/49/55/56/1075495556.db2.gz JUAZLRAJLLQLML-AAEUAGOBSA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)[C@H]1CNC(=O)N1 ZINC001579038376 1075495549 /nfs/dbraw/zinc/49/55/49/1075495549.db2.gz JUAZLRAJLLQLML-DGCLKSJQSA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)[C@H]1CNC(=O)N1 ZINC001579038378 1075495962 /nfs/dbraw/zinc/49/59/62/1075495962.db2.gz JUAZLRAJLLQLML-WCQYABFASA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)[C@@H]1CNC(=O)N1 ZINC001579038379 1075495959 /nfs/dbraw/zinc/49/59/59/1075495959.db2.gz JUAZLRAJLLQLML-YPMHNXCESA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)c1nnn(C)n1 ZINC001579038822 1075495987 /nfs/dbraw/zinc/49/59/87/1075495987.db2.gz OQVMJRBYHRDHRD-LLVKDONJSA-N 1 0 390.383 -1.248 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)c1nnn(C)n1 ZINC001579038823 1075495949 /nfs/dbraw/zinc/49/59/49/1075495949.db2.gz OQVMJRBYHRDHRD-NSHDSACASA-N 1 0 390.383 -1.248 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCn1cnnn1 ZINC001579038994 1075496021 /nfs/dbraw/zinc/49/60/21/1075496021.db2.gz QFGOVZCHTKEWOF-AWEZNQCLSA-N 1 0 386.420 -1.148 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCn1cnnn1 ZINC001579038995 1075495965 /nfs/dbraw/zinc/49/59/65/1075495965.db2.gz QFGOVZCHTKEWOF-CQSZACIVSA-N 1 0 386.420 -1.148 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CS(C)(=O)=O ZINC001579039028 1075496032 /nfs/dbraw/zinc/49/60/32/1075496032.db2.gz QXCZDNYIUOPWBK-CYBMUJFWSA-N 1 0 382.446 -1.180 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CS(C)(=O)=O ZINC001579039029 1075496008 /nfs/dbraw/zinc/49/60/08/1075496008.db2.gz QXCZDNYIUOPWBK-ZDUSSCGKSA-N 1 0 382.446 -1.180 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039454 1075496027 /nfs/dbraw/zinc/49/60/27/1075496027.db2.gz WSFBEHJVAPUUND-AAEUAGOBSA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039455 1075496034 /nfs/dbraw/zinc/49/60/34/1075496034.db2.gz WSFBEHJVAPUUND-DGCLKSJQSA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039456 1075496012 /nfs/dbraw/zinc/49/60/12/1075496012.db2.gz WSFBEHJVAPUUND-WCQYABFASA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039457 1075495993 /nfs/dbraw/zinc/49/59/93/1075495993.db2.gz WSFBEHJVAPUUND-YPMHNXCESA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)Cn1ncnn1 ZINC001579039468 1075496003 /nfs/dbraw/zinc/49/60/03/1075496003.db2.gz WXTFBWCARAGNQJ-GFCCVEGCSA-N 1 0 390.383 -1.399 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)Cn1ncnn1 ZINC001579039469 1075495930 /nfs/dbraw/zinc/49/59/30/1075495930.db2.gz WXTFBWCARAGNQJ-LBPRGKRZSA-N 1 0 390.383 -1.399 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1COC(=O)N1 ZINC001579039669 1075496040 /nfs/dbraw/zinc/49/60/40/1075496040.db2.gz XTRYRZIUYYXUJS-CHWSQXEVSA-N 1 0 375.389 -1.116 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1COC(=O)N1 ZINC001579039670 1075495972 /nfs/dbraw/zinc/49/59/72/1075495972.db2.gz XTRYRZIUYYXUJS-OLZOCXBDSA-N 1 0 375.389 -1.116 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1COC(=O)N1 ZINC001579039671 1075495980 /nfs/dbraw/zinc/49/59/80/1075495980.db2.gz XTRYRZIUYYXUJS-QWHCGFSZSA-N 1 0 375.389 -1.116 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1COC(=O)N1 ZINC001579039672 1075495942 /nfs/dbraw/zinc/49/59/42/1075495942.db2.gz XTRYRZIUYYXUJS-STQMWFEESA-N 1 0 375.389 -1.116 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039717 1075495937 /nfs/dbraw/zinc/49/59/37/1075495937.db2.gz YLYGGBDQOJRJGX-GWCFXTLKSA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039718 1075495953 /nfs/dbraw/zinc/49/59/53/1075495953.db2.gz YLYGGBDQOJRJGX-GXFFZTMASA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001579039719 1075496245 /nfs/dbraw/zinc/49/62/45/1075496245.db2.gz YLYGGBDQOJRJGX-MFKMUULPSA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001579039720 1075496372 /nfs/dbraw/zinc/49/63/72/1075496372.db2.gz YLYGGBDQOJRJGX-ZWNOBZJWSA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cn1ncnn1 ZINC001579039848 1075496353 /nfs/dbraw/zinc/49/63/53/1075496353.db2.gz ZZIZSWGMNAEFMT-GFCCVEGCSA-N 1 0 390.383 -1.399 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cn1ncnn1 ZINC001579039850 1075496391 /nfs/dbraw/zinc/49/63/91/1075496391.db2.gz ZZIZSWGMNAEFMT-LBPRGKRZSA-N 1 0 390.383 -1.399 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)CS(C)(=O)=O ZINC001579039928 1075496405 /nfs/dbraw/zinc/49/64/05/1075496405.db2.gz AVDODDLMOZMHNL-CYBMUJFWSA-N 1 0 382.446 -1.180 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)CS(C)(=O)=O ZINC001579039929 1075496415 /nfs/dbraw/zinc/49/64/15/1075496415.db2.gz AVDODDLMOZMHNL-ZDUSSCGKSA-N 1 0 382.446 -1.180 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCn1cnnn1 ZINC001579040069 1075496260 /nfs/dbraw/zinc/49/62/60/1075496260.db2.gz CJHWNEROZVVOOC-AWEZNQCLSA-N 1 0 386.420 -1.148 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCn1cnnn1 ZINC001579040071 1075496377 /nfs/dbraw/zinc/49/63/77/1075496377.db2.gz CJHWNEROZVVOOC-CQSZACIVSA-N 1 0 386.420 -1.148 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)CCNC(N)=O ZINC001579040078 1075496277 /nfs/dbraw/zinc/49/62/77/1075496277.db2.gz CLGCSUBHECBPOO-GFCCVEGCSA-N 1 0 376.421 -1.166 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)CCNC(N)=O ZINC001579040079 1075496368 /nfs/dbraw/zinc/49/63/68/1075496368.db2.gz CLGCSUBHECBPOO-LBPRGKRZSA-N 1 0 376.421 -1.166 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)CCn1cnnn1 ZINC001579041643 1075496641 /nfs/dbraw/zinc/49/66/41/1075496641.db2.gz ULLSTNDNFAWVGF-CYBMUJFWSA-N 1 0 386.420 -1.148 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)CCn1cnnn1 ZINC001579041645 1075496752 /nfs/dbraw/zinc/49/67/52/1075496752.db2.gz ULLSTNDNFAWVGF-ZDUSSCGKSA-N 1 0 386.420 -1.148 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)CS(C)(=O)=O ZINC001579042067 1075496734 /nfs/dbraw/zinc/49/67/34/1075496734.db2.gz WSGKQPMLICVKLH-GFCCVEGCSA-N 1 0 382.446 -1.180 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)CS(C)(=O)=O ZINC001579042069 1075496750 /nfs/dbraw/zinc/49/67/50/1075496750.db2.gz WSGKQPMLICVKLH-LBPRGKRZSA-N 1 0 382.446 -1.180 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1nnn(C)n1 ZINC001579042613 1075497196 /nfs/dbraw/zinc/49/71/96/1075497196.db2.gz BMTYVHJENDXNGH-LLVKDONJSA-N 1 0 390.383 -1.248 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1nnn(C)n1 ZINC001579042618 1075497117 /nfs/dbraw/zinc/49/71/17/1075497117.db2.gz BMTYVHJENDXNGH-NSHDSACASA-N 1 0 390.383 -1.248 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001579042678 1075497079 /nfs/dbraw/zinc/49/70/79/1075497079.db2.gz BZMWETSAIQVYJL-GDPRMGEGSA-N 1 0 379.446 -1.042 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001579042682 1075497178 /nfs/dbraw/zinc/49/71/78/1075497178.db2.gz BZMWETSAIQVYJL-IEBDPFPHSA-N 1 0 379.446 -1.042 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@@H]1CNC(=O)N1 ZINC001579042886 1075497160 /nfs/dbraw/zinc/49/71/60/1075497160.db2.gz CCEYDYRXGCYPTC-AAEUAGOBSA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@H]1CNC(=O)N1 ZINC001579042888 1075497093 /nfs/dbraw/zinc/49/70/93/1075497093.db2.gz CCEYDYRXGCYPTC-DGCLKSJQSA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@H]1CNC(=O)N1 ZINC001579042890 1075497102 /nfs/dbraw/zinc/49/71/02/1075497102.db2.gz CCEYDYRXGCYPTC-WCQYABFASA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)[C@@H]1CNC(=O)N1 ZINC001579042892 1075497066 /nfs/dbraw/zinc/49/70/66/1075497066.db2.gz CCEYDYRXGCYPTC-YPMHNXCESA-N 1 0 392.395 -1.404 20 0 GAADRO CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1nnn(C)n1 ZINC001579042998 1075497140 /nfs/dbraw/zinc/49/71/40/1075497140.db2.gz DYWLDSZGLLSZEK-MRVPVSSYSA-N 1 0 378.422 -1.326 20 0 GAADRO 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COCCS(=O)(=O)CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001579072629 1075511636 /nfs/dbraw/zinc/51/16/36/1075511636.db2.gz GNQPUNREBHRKAZ-OLZOCXBDSA-N 1 0 375.447 -1.169 20 0 GAADRO CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)CN1CCNC(=O)C1 ZINC001579115479 1075514642 /nfs/dbraw/zinc/51/46/42/1075514642.db2.gz IXSVTTGLTLJGSD-UHFFFAOYSA-N 1 0 387.448 -1.022 20 0 GAADRO C[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579122542 1075515335 /nfs/dbraw/zinc/51/53/35/1075515335.db2.gz KKVJWPGBQYANQM-UHFFFAOYSA-N 1 0 375.393 -1.202 20 0 GAADRO C[N@H+](CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CCN1C(=O)CNC1=O ZINC001579124273 1075515471 /nfs/dbraw/zinc/51/54/71/1075515471.db2.gz GNHLEEIWDZGJJF-UHFFFAOYSA-N 1 0 375.393 -1.202 20 0 GAADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CS(=O)(=O)C4)C[C@H]21 ZINC001579127551 1075515312 /nfs/dbraw/zinc/51/53/12/1075515312.db2.gz TYHCOMQOFNACPU-GHMOJZLGSA-N 1 0 378.472 -2.109 20 0 GAADRO CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001579127834 1075515562 /nfs/dbraw/zinc/51/55/62/1075515562.db2.gz DZURURPVKXISBX-GFCCVEGCSA-N 1 0 380.434 -1.364 20 0 GAADRO CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001579127835 1075515461 /nfs/dbraw/zinc/51/54/61/1075515461.db2.gz DZURURPVKXISBX-LBPRGKRZSA-N 1 0 380.434 -1.364 20 0 GAADRO CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCn1ncn(C)c1=O ZINC001579128131 1075515501 /nfs/dbraw/zinc/51/55/01/1075515501.db2.gz MSPHDXJYDILMQR-UHFFFAOYSA-N 1 0 386.420 -1.071 20 0 GAADRO CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CN1CCN(C)C(=O)C1 ZINC001579128328 1075515451 /nfs/dbraw/zinc/51/54/51/1075515451.db2.gz QUDMVVRBUSVVJH-UHFFFAOYSA-N 1 0 387.448 -1.282 20 0 GAADRO CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CN1C(=O)CN(C)C1=O ZINC001579128640 1075515785 /nfs/dbraw/zinc/51/57/85/1075515785.db2.gz VYJUGMDLNBZTOQ-UHFFFAOYSA-N 1 0 387.404 -1.162 20 0 GAADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC1(O)CCS(=O)(=O)CC1 ZINC001579131022 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C[N@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579184669 1075521793 /nfs/dbraw/zinc/52/17/93/1075521793.db2.gz CHHHHSZUQKLZIW-UHFFFAOYSA-N 1 0 384.404 -1.195 20 0 GAADRO C[N@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)Cc1ccccc1-c1nn[nH]n1 ZINC001579184914 1075521864 /nfs/dbraw/zinc/52/18/64/1075521864.db2.gz PLCSGPAISOUJNI-UHFFFAOYSA-N 1 0 384.404 -1.195 20 0 GAADRO CN(CCNC(=O)Cn1ccc(=O)n(C)c1=O)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579184950 1075521935 /nfs/dbraw/zinc/52/19/35/1075521935.db2.gz QXDPESCEYVWDOD-UHFFFAOYSA-N 1 0 385.388 -1.625 20 0 GAADRO C[N@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[C@H](O)CN1CCCC1=O ZINC001579190414 1075522580 /nfs/dbraw/zinc/52/25/80/1075522580.db2.gz GPZHHRIAUWJNCX-LBPRGKRZSA-N 1 0 376.421 -1.160 20 0 GAADRO C[N@H+](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[C@H](O)CN1CCCC1=O ZINC001579192188 1075522772 /nfs/dbraw/zinc/52/27/72/1075522772.db2.gz REISGKVQIIUVMQ-LBPRGKRZSA-N 1 0 376.421 -1.160 20 0 GAADRO C[N@H+](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[C@H](O)CN1CCCC1=O 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/nfs/dbraw/zinc/52/34/42/1075523442.db2.gz HCEZMRCAXPOGQB-NSHDSACASA-N 1 0 382.450 -1.110 20 0 GAADRO CN(CC[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)S(C)(=O)=O ZINC001579205061 1075523516 /nfs/dbraw/zinc/52/35/16/1075523516.db2.gz IRSRLMLLRKFYAI-JTQLQIEISA-N 1 0 386.438 -2.234 20 0 GAADRO CN(CC[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)S(C)(=O)=O ZINC001579205062 1075523802 /nfs/dbraw/zinc/52/38/02/1075523802.db2.gz IRSRLMLLRKFYAI-SNVBAGLBSA-N 1 0 386.438 -2.234 20 0 GAADRO CN(CC[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)S(C)(=O)=O ZINC001579205196 1075523930 /nfs/dbraw/zinc/52/39/30/1075523930.db2.gz OOZDJMIIWCXMHQ-SECBINFHSA-N 1 0 386.438 -2.234 20 0 GAADRO CN(CC[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)S(C)(=O)=O ZINC001579205197 1075523845 /nfs/dbraw/zinc/52/38/45/1075523845.db2.gz OOZDJMIIWCXMHQ-VIFPVBQESA-N 1 0 386.438 -2.234 20 0 GAADRO CN(CC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001579205207 1075523887 /nfs/dbraw/zinc/52/38/87/1075523887.db2.gz OYAGPWYKJWWOIJ-JTQLQIEISA-N 1 0 386.438 -2.234 20 0 GAADRO CN(CC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001579205208 1075523771 /nfs/dbraw/zinc/52/37/71/1075523771.db2.gz OYAGPWYKJWWOIJ-SNVBAGLBSA-N 1 0 386.438 -2.234 20 0 GAADRO CN(CC[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1)S(C)(=O)=O ZINC001579205233 1075523968 /nfs/dbraw/zinc/52/39/68/1075523968.db2.gz QEBQYGSJJANFAY-UHFFFAOYSA-N 1 0 382.450 -1.062 20 0 GAADRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579205275 1075523908 /nfs/dbraw/zinc/52/39/08/1075523908.db2.gz RNLLOUZJTYDCKO-UHFFFAOYSA-N 1 0 375.393 -1.155 20 0 GAADRO CN(CC[NH2+]CC=CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)S(C)(=O)=O ZINC001579205313 1075523938 /nfs/dbraw/zinc/52/39/38/1075523938.db2.gz SXBGUFNBTUAUCY-ARJAWSKDSA-N 1 0 382.450 -1.038 20 0 GAADRO CN(CC[NH2+]CC=CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)S(C)(=O)=O ZINC001579205314 1075523879 /nfs/dbraw/zinc/52/38/79/1075523879.db2.gz 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C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001579331950 1075557393 /nfs/dbraw/zinc/55/73/93/1075557393.db2.gz JHNFWLRJRKSQNT-UHFFFAOYSA-N 1 0 388.432 -1.160 20 0 GAADRO C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579332505 1075557381 /nfs/dbraw/zinc/55/73/81/1075557381.db2.gz LQUGPTHEOPMNJO-GFCCVEGCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579332507 1075557527 /nfs/dbraw/zinc/55/75/27/1075557527.db2.gz LQUGPTHEOPMNJO-LBPRGKRZSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579332657 1075558027 /nfs/dbraw/zinc/55/80/27/1075558027.db2.gz MSCKCJQWTAGGAJ-GFCCVEGCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579332660 1075557776 /nfs/dbraw/zinc/55/77/76/1075557776.db2.gz MSCKCJQWTAGGAJ-LBPRGKRZSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579332848 1075557787 /nfs/dbraw/zinc/55/77/87/1075557787.db2.gz NDJOEMCOBGZNLP-APPDUMDISA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579332851 1075557973 /nfs/dbraw/zinc/55/79/73/1075557973.db2.gz NDJOEMCOBGZNLP-DIFFPNOSSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579332852 1075558010 /nfs/dbraw/zinc/55/80/10/1075558010.db2.gz NDJOEMCOBGZNLP-GTNSWQLSSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579332853 1075558048 /nfs/dbraw/zinc/55/80/48/1075558048.db2.gz NDJOEMCOBGZNLP-PIGZYNQJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579332901 1075557961 /nfs/dbraw/zinc/55/79/61/1075557961.db2.gz MNHVMNVRQFAVCY-GFCCVEGCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579332903 1075557926 /nfs/dbraw/zinc/55/79/26/1075557926.db2.gz MNHVMNVRQFAVCY-LBPRGKRZSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579332916 1075558033 /nfs/dbraw/zinc/55/80/33/1075558033.db2.gz NQZKMYVSBTWWHP-LLVKDONJSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579332918 1075557846 /nfs/dbraw/zinc/55/78/46/1075557846.db2.gz NQZKMYVSBTWWHP-NSHDSACASA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579332920 1075558041 /nfs/dbraw/zinc/55/80/41/1075558041.db2.gz MUBIWKHGJTWJNM-GFCCVEGCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579332922 1075557912 /nfs/dbraw/zinc/55/79/12/1075557912.db2.gz MUBIWKHGJTWJNM-LBPRGKRZSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579333270 1075557937 /nfs/dbraw/zinc/55/79/37/1075557937.db2.gz PQVFTNFAOVCFKO-LLVKDONJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579333272 1075558067 /nfs/dbraw/zinc/55/80/67/1075558067.db2.gz PQVFTNFAOVCFKO-NSHDSACASA-N 1 0 388.432 -1.160 20 0 GAADRO C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579333870 1075558492 /nfs/dbraw/zinc/55/84/92/1075558492.db2.gz SXIRUSLWYBWDQN-GFCCVEGCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579333871 1075558509 /nfs/dbraw/zinc/55/85/09/1075558509.db2.gz SXIRUSLWYBWDQN-LBPRGKRZSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579333937 1075558410 /nfs/dbraw/zinc/55/84/10/1075558410.db2.gz SXGXSZMYXUCCAU-LLVKDONJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579333940 1075558353 /nfs/dbraw/zinc/55/83/53/1075558353.db2.gz SXGXSZMYXUCCAU-NSHDSACASA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579334126 1075558747 /nfs/dbraw/zinc/55/87/47/1075558747.db2.gz CSMCSUAWJKHFSY-LLVKDONJSA-N 1 0 376.421 -1.303 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579334127 1075558858 /nfs/dbraw/zinc/55/88/58/1075558858.db2.gz CSMCSUAWJKHFSY-NSHDSACASA-N 1 0 376.421 -1.303 20 0 GAADRO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579334237 1075558318 /nfs/dbraw/zinc/55/83/18/1075558318.db2.gz VOSGYIBTGAPUIT-CMPLNLGQSA-N 1 0 376.421 -1.304 20 0 GAADRO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579334244 1075558790 /nfs/dbraw/zinc/55/87/90/1075558790.db2.gz VOSGYIBTGAPUIT-JQWIXIFHSA-N 1 0 376.421 -1.304 20 0 GAADRO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579334245 1075559011 /nfs/dbraw/zinc/55/90/11/1075559011.db2.gz VOSGYIBTGAPUIT-PWSUYJOCSA-N 1 0 376.421 -1.304 20 0 GAADRO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579334247 1075559088 /nfs/dbraw/zinc/55/90/88/1075559088.db2.gz VOSGYIBTGAPUIT-ZYHUDNBSSA-N 1 0 376.421 -1.304 20 0 GAADRO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579334353 1075559050 /nfs/dbraw/zinc/55/90/50/1075559050.db2.gz WPGQNNVOAOOQDO-GHMZBOCLSA-N 1 0 376.421 -1.304 20 0 GAADRO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579334354 1075559108 /nfs/dbraw/zinc/55/91/08/1075559108.db2.gz WPGQNNVOAOOQDO-MNOVXSKESA-N 1 0 376.421 -1.304 20 0 GAADRO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579334355 1075559156 /nfs/dbraw/zinc/55/91/56/1075559156.db2.gz WPGQNNVOAOOQDO-QWRGUYRKSA-N 1 0 376.421 -1.304 20 0 GAADRO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579334356 1075558767 /nfs/dbraw/zinc/55/87/67/1075558767.db2.gz WPGQNNVOAOOQDO-WDEREUQCSA-N 1 0 376.421 -1.304 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579334390 1075558818 /nfs/dbraw/zinc/55/88/18/1075558818.db2.gz XDXJIKYUAVFWLO-APPDUMDISA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579334391 1075559071 /nfs/dbraw/zinc/55/90/71/1075559071.db2.gz XDXJIKYUAVFWLO-DIFFPNOSSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579334392 1075559180 /nfs/dbraw/zinc/55/91/80/1075559180.db2.gz XDXJIKYUAVFWLO-GTNSWQLSSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579334393 1075558906 /nfs/dbraw/zinc/55/89/06/1075558906.db2.gz XDXJIKYUAVFWLO-PIGZYNQJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579334531 1075558945 /nfs/dbraw/zinc/55/89/45/1075558945.db2.gz YJCAXFJQYHFWAV-LLVKDONJSA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579334533 1075558985 /nfs/dbraw/zinc/55/89/85/1075558985.db2.gz YJCAXFJQYHFWAV-NSHDSACASA-N 1 0 376.421 -1.257 20 0 GAADRO C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001579334657 1075559468 /nfs/dbraw/zinc/55/94/68/1075559468.db2.gz YXNSRXLXIMJFGY-UHFFFAOYSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579335468 1075559421 /nfs/dbraw/zinc/55/94/21/1075559421.db2.gz RLCPSQOSKMCGJI-LLVKDONJSA-N 1 0 376.421 -1.303 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579335469 1075559640 /nfs/dbraw/zinc/55/96/40/1075559640.db2.gz RLCPSQOSKMCGJI-NSHDSACASA-N 1 0 376.421 -1.303 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579336107 1075559430 /nfs/dbraw/zinc/55/94/30/1075559430.db2.gz YSBNYIACLBVDGG-LLVKDONJSA-N 1 0 376.421 -1.303 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579336108 1075559490 /nfs/dbraw/zinc/55/94/90/1075559490.db2.gz YSBNYIACLBVDGG-NSHDSACASA-N 1 0 376.421 -1.303 20 0 GAADRO CS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001579337139 1075559483 /nfs/dbraw/zinc/55/94/83/1075559483.db2.gz NZXDQVILUUSXFN-TUAOUCFPSA-N 1 0 381.476 -1.382 20 0 GAADRO CS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001579337140 1075559420 /nfs/dbraw/zinc/55/94/20/1075559420.db2.gz NZXDQVILUUSXFN-UTUOFQBUSA-N 1 0 381.476 -1.382 20 0 GAADRO C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)CC1 ZINC001579337934 1075559835 /nfs/dbraw/zinc/55/98/35/1075559835.db2.gz AMRZYHLSKSCKAI-ZIAGYGMSSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001579338019 1075559951 /nfs/dbraw/zinc/55/99/51/1075559951.db2.gz FAVXOTMOGDWPGD-CYBMUJFWSA-N 1 0 386.464 -1.153 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001579338020 1075560037 /nfs/dbraw/zinc/56/00/37/1075560037.db2.gz FAVXOTMOGDWPGD-ZDUSSCGKSA-N 1 0 386.464 -1.153 20 0 GAADRO C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)CC1 ZINC001579338397 1075559980 /nfs/dbraw/zinc/55/99/80/1075559980.db2.gz MJCAGLTVNNLFJL-KGLIPLIRSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)CC1 ZINC001579338398 1075560030 /nfs/dbraw/zinc/56/00/30/1075560030.db2.gz MJCAGLTVNNLFJL-ZIAGYGMSSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338560 1075559904 /nfs/dbraw/zinc/55/99/04/1075559904.db2.gz PFSBXUVBXCGPBW-CYBMUJFWSA-N 1 0 386.464 -1.153 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338561 1075560348 /nfs/dbraw/zinc/56/03/48/1075560348.db2.gz PFSBXUVBXCGPBW-ZDUSSCGKSA-N 1 0 386.464 -1.153 20 0 GAADRO C[N@@H+]1CC[C@@H](C(=O)NCCN2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001579338880 1075560536 /nfs/dbraw/zinc/56/05/36/1075560536.db2.gz ZWKGLDLGGNGDRQ-CYBMUJFWSA-N 1 0 386.464 -1.153 20 0 GAADRO C[N@@H+]1CC[C@H](C(=O)NCCN2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001579338881 1075560456 /nfs/dbraw/zinc/56/04/56/1075560456.db2.gz ZWKGLDLGGNGDRQ-ZDUSSCGKSA-N 1 0 386.464 -1.153 20 0 GAADRO CN1CC[C@H](CC(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1=O ZINC001579339608 1075560867 /nfs/dbraw/zinc/56/08/67/1075560867.db2.gz KPMODMBEMOIYMI-GFCCVEGCSA-N 1 0 388.432 -1.215 20 0 GAADRO CN1CC[C@@H](CC(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1=O ZINC001579339609 1075560816 /nfs/dbraw/zinc/56/08/16/1075560816.db2.gz KPMODMBEMOIYMI-LBPRGKRZSA-N 1 0 388.432 -1.215 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579341246 1075560895 /nfs/dbraw/zinc/56/08/95/1075560895.db2.gz HAFCURLVOUKVBE-LLVKDONJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579341248 1075561169 /nfs/dbraw/zinc/56/11/69/1075561169.db2.gz HAFCURLVOUKVBE-NSHDSACASA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579341443 1075561503 /nfs/dbraw/zinc/56/15/03/1075561503.db2.gz MFVGTTMJSICZJR-LLVKDONJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579341444 1075561420 /nfs/dbraw/zinc/56/14/20/1075561420.db2.gz MFVGTTMJSICZJR-NSHDSACASA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579341853 1075561532 /nfs/dbraw/zinc/56/15/32/1075561532.db2.gz XADPZLUAHDDWOX-LLVKDONJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579341854 1075561205 /nfs/dbraw/zinc/56/12/05/1075561205.db2.gz XADPZLUAHDDWOX-NSHDSACASA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579342641 1075561291 /nfs/dbraw/zinc/56/12/91/1075561291.db2.gz ATSFHCNYOXMXMX-CMPLNLGQSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579342642 1075561456 /nfs/dbraw/zinc/56/14/56/1075561456.db2.gz ATSFHCNYOXMXMX-JQWIXIFHSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579342643 1075561194 /nfs/dbraw/zinc/56/11/94/1075561194.db2.gz ATSFHCNYOXMXMX-PWSUYJOCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579342644 1075561386 /nfs/dbraw/zinc/56/13/86/1075561386.db2.gz ATSFHCNYOXMXMX-ZYHUDNBSSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579342675 1075561342 /nfs/dbraw/zinc/56/13/42/1075561342.db2.gz BHCLTIRXEOKBKU-GHMZBOCLSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579342676 1075561235 /nfs/dbraw/zinc/56/12/35/1075561235.db2.gz BHCLTIRXEOKBKU-MNOVXSKESA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579342677 1075561314 /nfs/dbraw/zinc/56/13/14/1075561314.db2.gz BHCLTIRXEOKBKU-QWRGUYRKSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579342678 1075561218 /nfs/dbraw/zinc/56/12/18/1075561218.db2.gz BHCLTIRXEOKBKU-WDEREUQCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1 ZINC001579342824 1075562055 /nfs/dbraw/zinc/56/20/55/1075562055.db2.gz FBPALQQLNFQYHN-GDLCADMTSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1 ZINC001579342825 1075561747 /nfs/dbraw/zinc/56/17/47/1075561747.db2.gz FBPALQQLNFQYHN-HONMWMINSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579342826 1075561698 /nfs/dbraw/zinc/56/16/98/1075561698.db2.gz FBPALQQLNFQYHN-LERXQTSPSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579342827 1075561834 /nfs/dbraw/zinc/56/18/34/1075561834.db2.gz FBPALQQLNFQYHN-ZLKJLUDKSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579342894 1075561786 /nfs/dbraw/zinc/56/17/86/1075561786.db2.gz GMQUTLRUHUWEPV-GHMZBOCLSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579342993 1075561948 /nfs/dbraw/zinc/56/19/48/1075561948.db2.gz GMQUTLRUHUWEPV-MNOVXSKESA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579342994 1075561662 /nfs/dbraw/zinc/56/16/62/1075561662.db2.gz GMQUTLRUHUWEPV-QWRGUYRKSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579342995 1075562084 /nfs/dbraw/zinc/56/20/84/1075562084.db2.gz GMQUTLRUHUWEPV-WDEREUQCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579343004 1075562029 /nfs/dbraw/zinc/56/20/29/1075562029.db2.gz GXKXWRDQDCZIAL-CMPLNLGQSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579343005 1075561918 /nfs/dbraw/zinc/56/19/18/1075561918.db2.gz GXKXWRDQDCZIAL-JQWIXIFHSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579343006 1075561993 /nfs/dbraw/zinc/56/19/93/1075561993.db2.gz GXKXWRDQDCZIAL-PWSUYJOCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579343007 1075562348 /nfs/dbraw/zinc/56/23/48/1075562348.db2.gz GXKXWRDQDCZIAL-ZYHUDNBSSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579343125 1075562316 /nfs/dbraw/zinc/56/23/16/1075562316.db2.gz ITGWYBRWSZGNSY-CMPLNLGQSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579343127 1075562433 /nfs/dbraw/zinc/56/24/33/1075562433.db2.gz ITGWYBRWSZGNSY-JQWIXIFHSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579343128 1075562516 /nfs/dbraw/zinc/56/25/16/1075562516.db2.gz ITGWYBRWSZGNSY-PWSUYJOCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579343129 1075562482 /nfs/dbraw/zinc/56/24/82/1075562482.db2.gz ITGWYBRWSZGNSY-ZYHUDNBSSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)C1 ZINC001579343387 1075562329 /nfs/dbraw/zinc/56/23/29/1075562329.db2.gz JUJHENUEDDHSLT-GDLCADMTSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)C1 ZINC001579343390 1075562358 /nfs/dbraw/zinc/56/23/58/1075562358.db2.gz JUJHENUEDDHSLT-HONMWMINSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579343769 1075562306 /nfs/dbraw/zinc/56/23/06/1075562306.db2.gz LJGKEXFBPYSAAL-CMPLNLGQSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579343771 1075562290 /nfs/dbraw/zinc/56/22/90/1075562290.db2.gz LJGKEXFBPYSAAL-JQWIXIFHSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579343773 1075562397 /nfs/dbraw/zinc/56/23/97/1075562397.db2.gz LJGKEXFBPYSAAL-PWSUYJOCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579343775 1075562875 /nfs/dbraw/zinc/56/28/75/1075562875.db2.gz LJGKEXFBPYSAAL-ZYHUDNBSSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579344246 1075562992 /nfs/dbraw/zinc/56/29/92/1075562992.db2.gz OKWPXZMHBNFBDQ-GHMZBOCLSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579344249 1075562835 /nfs/dbraw/zinc/56/28/35/1075562835.db2.gz OKWPXZMHBNFBDQ-MNOVXSKESA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579344251 1075562938 /nfs/dbraw/zinc/56/29/38/1075562938.db2.gz OKWPXZMHBNFBDQ-QWRGUYRKSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579344253 1075563029 /nfs/dbraw/zinc/56/30/29/1075563029.db2.gz OKWPXZMHBNFBDQ-WDEREUQCSA-N 1 0 376.421 -1.257 20 0 GAADRO CS(=O)(=O)N1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001579344268 1075562764 /nfs/dbraw/zinc/56/27/64/1075562764.db2.gz QAZGTTURNYSRAO-FRRDWIJNSA-N 1 0 397.505 -1.157 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579344270 1075562962 /nfs/dbraw/zinc/56/29/62/1075562962.db2.gz PBHAGWZPOCIPHI-CMPLNLGQSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579344271 1075562778 /nfs/dbraw/zinc/56/27/78/1075562778.db2.gz PBHAGWZPOCIPHI-JQWIXIFHSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579344272 1075563007 /nfs/dbraw/zinc/56/30/07/1075563007.db2.gz PBHAGWZPOCIPHI-PWSUYJOCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579344274 1075563047 /nfs/dbraw/zinc/56/30/47/1075563047.db2.gz PBHAGWZPOCIPHI-ZYHUDNBSSA-N 1 0 376.421 -1.257 20 0 GAADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCOCC3)n2CC2C[NH2+]C2)C1 ZINC001579344315 1075562871 /nfs/dbraw/zinc/56/28/71/1075562871.db2.gz QWBBXZUFFRENGH-CYBMUJFWSA-N 1 0 386.478 -1.333 20 0 GAADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCOCC3)n2CC2C[NH2+]C2)C1 ZINC001579344318 1075562861 /nfs/dbraw/zinc/56/28/61/1075562861.db2.gz QWBBXZUFFRENGH-ZDUSSCGKSA-N 1 0 386.478 -1.333 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579344478 1075563473 /nfs/dbraw/zinc/56/34/73/1075563473.db2.gz GOWPQKGFVMEKCR-LLVKDONJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001579344479 1075563296 /nfs/dbraw/zinc/56/32/96/1075563296.db2.gz GOWPQKGFVMEKCR-NSHDSACASA-N 1 0 388.432 -1.160 20 0 GAADRO CS(=O)(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH3+])CC1 ZINC001579344641 1075563359 /nfs/dbraw/zinc/56/33/59/1075563359.db2.gz VUXHXKAXYVNZAA-UHFFFAOYSA-N 1 0 385.494 -1.056 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579345083 1075563501 /nfs/dbraw/zinc/56/35/01/1075563501.db2.gz UGMHYWSZJZDUQS-CMPLNLGQSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579345084 1075563344 /nfs/dbraw/zinc/56/33/44/1075563344.db2.gz UGMHYWSZJZDUQS-JQWIXIFHSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579345085 1075563276 /nfs/dbraw/zinc/56/32/76/1075563276.db2.gz UGMHYWSZJZDUQS-PWSUYJOCSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579345086 1075563404 /nfs/dbraw/zinc/56/34/04/1075563404.db2.gz UGMHYWSZJZDUQS-ZYHUDNBSSA-N 1 0 376.421 -1.257 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)C1 ZINC001579345115 1075563372 /nfs/dbraw/zinc/56/33/72/1075563372.db2.gz URYUVNRYRFZWHF-GDLCADMTSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)C1 ZINC001579345116 1075563718 /nfs/dbraw/zinc/56/37/18/1075563718.db2.gz URYUVNRYRFZWHF-HONMWMINSA-N 1 0 388.432 -1.162 20 0 GAADRO CS(=O)(=O)NCC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CS(=O)(=O)C3)CC1 ZINC001579345400 1075563782 /nfs/dbraw/zinc/56/37/82/1075563782.db2.gz BYGVNAZPQNWTJA-TZMCWYRMSA-N 1 0 379.504 -1.592 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579345538 1075563821 /nfs/dbraw/zinc/56/38/21/1075563821.db2.gz LJMAXSQBHNYEDH-LLVKDONJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579345541 1075563874 /nfs/dbraw/zinc/56/38/74/1075563874.db2.gz LJMAXSQBHNYEDH-NSHDSACASA-N 1 0 388.432 -1.160 20 0 GAADRO CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001579345804 1075564200 /nfs/dbraw/zinc/56/42/00/1075564200.db2.gz GXOZCKRDAKWAPX-NHYWBVRUSA-N 1 0 383.478 -1.399 20 0 GAADRO CS(=O)(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH3+])CC1 ZINC001579346238 1075564400 /nfs/dbraw/zinc/56/44/00/1075564400.db2.gz LAHTVYKMZGOIEW-UHFFFAOYSA-N 1 0 385.494 -1.009 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579346373 1075564147 /nfs/dbraw/zinc/56/41/47/1075564147.db2.gz PVGRPGPLIWEKMY-LLVKDONJSA-N 1 0 388.432 -1.160 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001579346377 1075564262 /nfs/dbraw/zinc/56/42/62/1075564262.db2.gz PVGRPGPLIWEKMY-NSHDSACASA-N 1 0 388.432 -1.160 20 0 GAADRO CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579346385 1075564334 /nfs/dbraw/zinc/56/43/34/1075564334.db2.gz MKZKUAVQENCLAC-GFCCVEGCSA-N 1 0 385.494 -1.123 20 0 GAADRO CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([NH3+])C1 ZINC001579346389 1075564365 /nfs/dbraw/zinc/56/43/65/1075564365.db2.gz MKZKUAVQENCLAC-LBPRGKRZSA-N 1 0 385.494 -1.123 20 0 GAADRO CS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C[NH3+])C1 ZINC001579346602 1075564636 /nfs/dbraw/zinc/56/46/36/1075564636.db2.gz OXUSXNZSPFIIHV-CHWSQXEVSA-N 1 0 388.494 -1.115 20 0 GAADRO CS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C[NH3+])C1 ZINC001579346603 1075564647 /nfs/dbraw/zinc/56/46/47/1075564647.db2.gz OXUSXNZSPFIIHV-OLZOCXBDSA-N 1 0 388.494 -1.115 20 0 GAADRO CS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C[NH3+])C1 ZINC001579346604 1075564571 /nfs/dbraw/zinc/56/45/71/1075564571.db2.gz OXUSXNZSPFIIHV-QWHCGFSZSA-N 1 0 388.494 -1.115 20 0 GAADRO CS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C[NH3+])C1 ZINC001579346605 1075564519 /nfs/dbraw/zinc/56/45/19/1075564519.db2.gz OXUSXNZSPFIIHV-STQMWFEESA-N 1 0 388.494 -1.115 20 0 GAADRO CS(=O)(=O)NCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001579347043 1075564641 /nfs/dbraw/zinc/56/46/41/1075564641.db2.gz ZEUBEYRAFNXUGX-FRRDWIJNSA-N 1 0 397.505 -1.157 20 0 GAADRO CS(=O)(=O)NCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001579347044 1075564652 /nfs/dbraw/zinc/56/46/52/1075564652.db2.gz ZEUBEYRAFNXUGX-XQQFMLRXSA-N 1 0 397.505 -1.157 20 0 GAADRO CS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C[NH3+])C1 ZINC001579347061 1075564608 /nfs/dbraw/zinc/56/46/08/1075564608.db2.gz ZYUGNDFVBYNUAK-GFCCVEGCSA-N 1 0 385.494 -1.265 20 0 GAADRO CS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001579347062 1075564527 /nfs/dbraw/zinc/56/45/27/1075564527.db2.gz ZYUGNDFVBYNUAK-LBPRGKRZSA-N 1 0 385.494 -1.265 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001579347949 1075565022 /nfs/dbraw/zinc/56/50/22/1075565022.db2.gz QZQDQRZRJNQNHC-LERXQTSPSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001579347950 1075565038 /nfs/dbraw/zinc/56/50/38/1075565038.db2.gz QZQDQRZRJNQNHC-ZLKJLUDKSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)C1 ZINC001579348154 1075565005 /nfs/dbraw/zinc/56/50/05/1075565005.db2.gz UTJWLPXWAXEYRS-LERXQTSPSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)C1 ZINC001579348156 1075565081 /nfs/dbraw/zinc/56/50/81/1075565081.db2.gz UTJWLPXWAXEYRS-ZLKJLUDKSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)C1 ZINC001579348266 1075564911 /nfs/dbraw/zinc/56/49/11/1075564911.db2.gz YDPUUJZTQGCFNF-LERXQTSPSA-N 1 0 388.432 -1.162 20 0 GAADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)C1 ZINC001579348267 1075565575 /nfs/dbraw/zinc/56/55/75/1075565575.db2.gz YDPUUJZTQGCFNF-ZLKJLUDKSA-N 1 0 388.432 -1.162 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579348709 1075565374 /nfs/dbraw/zinc/56/53/74/1075565374.db2.gz GESSWHMONICLMX-LLVKDONJSA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579348710 1075565438 /nfs/dbraw/zinc/56/54/38/1075565438.db2.gz GESSWHMONICLMX-NSHDSACASA-N 1 0 391.436 -1.344 20 0 GAADRO CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1=O ZINC001579348718 1075565642 /nfs/dbraw/zinc/56/56/42/1075565642.db2.gz GLDHMUGHTCNABV-GFCCVEGCSA-N 1 0 388.432 -1.018 20 0 GAADRO CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1=O ZINC001579348719 1075565320 /nfs/dbraw/zinc/56/53/20/1075565320.db2.gz GLDHMUGHTCNABV-LBPRGKRZSA-N 1 0 388.432 -1.018 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579348781 1075565557 /nfs/dbraw/zinc/56/55/57/1075565557.db2.gz HXLOLCSPQUEIPW-LLVKDONJSA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579348782 1075565488 /nfs/dbraw/zinc/56/54/88/1075565488.db2.gz HXLOLCSPQUEIPW-NSHDSACASA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579349087 1075565952 /nfs/dbraw/zinc/56/59/52/1075565952.db2.gz KUSWMVVDGNTMHH-LLVKDONJSA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579349088 1075566078 /nfs/dbraw/zinc/56/60/78/1075566078.db2.gz KUSWMVVDGNTMHH-NSHDSACASA-N 1 0 391.436 -1.344 20 0 GAADRO CN1CCC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349167 1075566063 /nfs/dbraw/zinc/56/60/63/1075566063.db2.gz AQEJBUYXQYKKRP-CXAGYDPISA-N 1 0 388.432 -1.018 20 0 GAADRO CN1CCC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349169 1075565832 /nfs/dbraw/zinc/56/58/32/1075565832.db2.gz AQEJBUYXQYKKRP-DYVFJYSZSA-N 1 0 388.432 -1.018 20 0 GAADRO CN1CCC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349170 1075565905 /nfs/dbraw/zinc/56/59/05/1075565905.db2.gz AQEJBUYXQYKKRP-GUYCJALGSA-N 1 0 388.432 -1.018 20 0 GAADRO CN1CCC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349172 1075565868 /nfs/dbraw/zinc/56/58/68/1075565868.db2.gz AQEJBUYXQYKKRP-SUMWQHHRSA-N 1 0 388.432 -1.018 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579349214 1075565882 /nfs/dbraw/zinc/56/58/82/1075565882.db2.gz LJJCJRSNLBLNHY-LLVKDONJSA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579349217 1075565805 /nfs/dbraw/zinc/56/58/05/1075565805.db2.gz LJJCJRSNLBLNHY-NSHDSACASA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNc2nccnc2-c2nn[nH]n2)CC1 ZINC001579349585 1075566429 /nfs/dbraw/zinc/56/64/29/1075566429.db2.gz QJRVYXQQFMGJAZ-LLVKDONJSA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@H](O)CNc2nccnc2-c2nn[nH]n2)CC1 ZINC001579349586 1075566390 /nfs/dbraw/zinc/56/63/90/1075566390.db2.gz QJRVYXQQFMGJAZ-NSHDSACASA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2nccnc2-c2nn[nH]n2)CC1 ZINC001579349622 1075566426 /nfs/dbraw/zinc/56/64/26/1075566426.db2.gz REIABKOVDFRLFS-LLVKDONJSA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[nH]n2)CC1 ZINC001579349624 1075566395 /nfs/dbraw/zinc/56/63/95/1075566395.db2.gz REIABKOVDFRLFS-NSHDSACASA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@H](CO)Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001579349907 1075566381 /nfs/dbraw/zinc/56/63/81/1075566381.db2.gz VDLPWTKLCAPEDP-LLVKDONJSA-N 1 0 391.436 -1.344 20 0 GAADRO C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001579349909 1075566370 /nfs/dbraw/zinc/56/63/70/1075566370.db2.gz VDLPWTKLCAPEDP-NSHDSACASA-N 1 0 391.436 -1.344 20 0 GAADRO CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1=O ZINC001579350051 1075566803 /nfs/dbraw/zinc/56/68/03/1075566803.db2.gz WTRAVPQLJFKECH-GFCCVEGCSA-N 1 0 388.432 -1.018 20 0 GAADRO CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1=O ZINC001579350052 1075566629 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CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579385630 1075583130 /nfs/dbraw/zinc/58/31/30/1075583130.db2.gz MUVHBHYROAZEHV-SNVBAGLBSA-N 1 0 376.421 -1.114 20 0 GAADRO CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579385715 1075583115 /nfs/dbraw/zinc/58/31/15/1075583115.db2.gz PMTCAFCNQKAGQH-JTQLQIEISA-N 1 0 376.421 -1.114 20 0 GAADRO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579385716 1075583076 /nfs/dbraw/zinc/58/30/76/1075583076.db2.gz PMTCAFCNQKAGQH-SNVBAGLBSA-N 1 0 376.421 -1.114 20 0 GAADRO CNC(=O)C1(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001579386291 1075583318 /nfs/dbraw/zinc/58/33/18/1075583318.db2.gz GXMDMACGBOOZGY-LLVKDONJSA-N 1 0 388.432 -1.203 20 0 GAADRO CNC(=O)C1(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001579386292 1075583352 /nfs/dbraw/zinc/58/33/52/1075583352.db2.gz GXMDMACGBOOZGY-NSHDSACASA-N 1 0 388.432 -1.203 20 0 GAADRO CNC(=O)CCCC(=O)N(C)C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579388734 1075583808 /nfs/dbraw/zinc/58/38/08/1075583808.db2.gz INUALWCGWRDSDO-LLVKDONJSA-N 1 0 376.421 -1.169 20 0 GAADRO CNC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579388735 1075583814 /nfs/dbraw/zinc/58/38/14/1075583814.db2.gz INUALWCGWRDSDO-NSHDSACASA-N 1 0 376.421 -1.169 20 0 GAADRO CNC(=O)CCCC(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579392409 1075584635 /nfs/dbraw/zinc/58/46/35/1075584635.db2.gz RSULTKVFTMAKJQ-LLVKDONJSA-N 1 0 376.421 -1.203 20 0 GAADRO CNC(=O)CCCC(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579392410 1075584501 /nfs/dbraw/zinc/58/45/01/1075584501.db2.gz RSULTKVFTMAKJQ-NSHDSACASA-N 1 0 376.421 -1.203 20 0 GAADRO CNC(=O)CCCC(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579392717 1075584463 /nfs/dbraw/zinc/58/44/63/1075584463.db2.gz VJCRIGYUZSGWPM-LLVKDONJSA-N 1 0 376.421 -1.203 20 0 GAADRO CNC(=O)CCCC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579392719 1075584608 /nfs/dbraw/zinc/58/46/08/1075584608.db2.gz VJCRIGYUZSGWPM-NSHDSACASA-N 1 0 376.421 -1.203 20 0 GAADRO CNC(=O)C[N@H+](CCO)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579393857 1075584949 /nfs/dbraw/zinc/58/49/49/1075584949.db2.gz FEVSDAYUTNRLQR-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO CNC(=O)C[N@H+](CCO)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579394178 1075585448 /nfs/dbraw/zinc/58/54/48/1075585448.db2.gz OYSQZAXHELYAEF-UHFFFAOYSA-N 1 0 376.421 -1.160 20 0 GAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001579396563 1075586205 /nfs/dbraw/zinc/58/62/05/1075586205.db2.gz KQAAZILYHATPFM-CYBMUJFWSA-N 1 0 387.448 -1.227 20 0 GAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001579396564 1075586243 /nfs/dbraw/zinc/58/62/43/1075586243.db2.gz KQAAZILYHATPFM-ZDUSSCGKSA-N 1 0 387.448 -1.227 20 0 GAADRO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001579396587 1075586282 /nfs/dbraw/zinc/58/62/82/1075586282.db2.gz LJRARUGLLZRHOJ-GFCCVEGCSA-N 1 0 387.448 -1.227 20 0 GAADRO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001579396588 1075586275 /nfs/dbraw/zinc/58/62/75/1075586275.db2.gz LJRARUGLLZRHOJ-LBPRGKRZSA-N 1 0 387.448 -1.227 20 0 GAADRO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001579397531 1075586617 /nfs/dbraw/zinc/58/66/17/1075586617.db2.gz ARBCTTUMMQQIIQ-RTCCRHLQSA-N 1 0 387.404 -1.442 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579397535 1075586693 /nfs/dbraw/zinc/58/66/93/1075586693.db2.gz ATQOCTZTQDDMIQ-BDAKNGLRSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579397536 1075586585 /nfs/dbraw/zinc/58/65/85/1075586585.db2.gz ATQOCTZTQDDMIQ-DTWKUNHWSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579397537 1075586725 /nfs/dbraw/zinc/58/67/25/1075586725.db2.gz ATQOCTZTQDDMIQ-IUCAKERBSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579397538 1075586611 /nfs/dbraw/zinc/58/66/11/1075586611.db2.gz ATQOCTZTQDDMIQ-RKDXNWHRSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397559 1075586595 /nfs/dbraw/zinc/58/65/95/1075586595.db2.gz BIHWWCRTILSXAD-BDAKNGLRSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397560 1075586601 /nfs/dbraw/zinc/58/66/01/1075586601.db2.gz BIHWWCRTILSXAD-DTWKUNHWSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397561 1075586638 /nfs/dbraw/zinc/58/66/38/1075586638.db2.gz BIHWWCRTILSXAD-IUCAKERBSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397562 1075586634 /nfs/dbraw/zinc/58/66/34/1075586634.db2.gz BIHWWCRTILSXAD-RKDXNWHRSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397569 1075586628 /nfs/dbraw/zinc/58/66/28/1075586628.db2.gz BUZIEXSVQBLBFK-HGNGGELXSA-N 1 0 375.393 -1.111 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397570 1075586684 /nfs/dbraw/zinc/58/66/84/1075586684.db2.gz BUZIEXSVQBLBFK-QNSHHTMESA-N 1 0 375.393 -1.111 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397571 1075586604 /nfs/dbraw/zinc/58/66/04/1075586604.db2.gz BUZIEXSVQBLBFK-SZEHBUNVSA-N 1 0 375.393 -1.111 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397572 1075586663 /nfs/dbraw/zinc/58/66/63/1075586663.db2.gz BUZIEXSVQBLBFK-UJNFCWOMSA-N 1 0 375.393 -1.111 20 0 GAADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397584 1075587228 /nfs/dbraw/zinc/58/72/28/1075587228.db2.gz CBANBOKSVMIHFA-SECBINFHSA-N 1 0 375.393 -1.298 20 0 GAADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397585 1075587016 /nfs/dbraw/zinc/58/70/16/1075587016.db2.gz CBANBOKSVMIHFA-VIFPVBQESA-N 1 0 375.393 -1.298 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579397596 1075587085 /nfs/dbraw/zinc/58/70/85/1075587085.db2.gz CPFWSIGGLZBYNM-MRVPVSSYSA-N 1 0 375.393 -1.109 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579397597 1075586946 /nfs/dbraw/zinc/58/69/46/1075586946.db2.gz CPFWSIGGLZBYNM-QMMMGPOBSA-N 1 0 375.393 -1.109 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397685 1075587587 /nfs/dbraw/zinc/58/75/87/1075587587.db2.gz GFVOQWBFUCYSGV-PSASIEDQSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397686 1075587581 /nfs/dbraw/zinc/58/75/81/1075587581.db2.gz GFVOQWBFUCYSGV-SCZZXKLOSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397687 1075587446 /nfs/dbraw/zinc/58/74/46/1075587446.db2.gz GFVOQWBFUCYSGV-WCBMZHEXSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397688 1075587399 /nfs/dbraw/zinc/58/73/99/1075587399.db2.gz GFVOQWBFUCYSGV-WPRPVWTQSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)CN1CC[C@](C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397836 1075587952 /nfs/dbraw/zinc/58/79/52/1075587952.db2.gz JFWMBQPHGLFMNQ-HNNXBMFYSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)CN1CC[C@@](C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397838 1075587872 /nfs/dbraw/zinc/58/78/72/1075587872.db2.gz JFWMBQPHGLFMNQ-OAHLLOKOSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579397858 1075587907 /nfs/dbraw/zinc/58/79/07/1075587907.db2.gz JOJOMYMTQGIWQT-BXSSEVMYSA-N 1 0 387.404 -1.301 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579397860 1075588012 /nfs/dbraw/zinc/58/80/12/1075588012.db2.gz JOJOMYMTQGIWQT-QAHWYCSRSA-N 1 0 387.404 -1.301 20 0 GAADRO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C ZINC001579397865 1075587894 /nfs/dbraw/zinc/58/78/94/1075587894.db2.gz JORYODRHDZBDQW-BDAKNGLRSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397905 1075588294 /nfs/dbraw/zinc/58/82/94/1075588294.db2.gz JYBMBULVPJQBNH-PSASIEDQSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397906 1075588417 /nfs/dbraw/zinc/58/84/17/1075588417.db2.gz JYBMBULVPJQBNH-SCZZXKLOSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397907 1075588320 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/nfs/dbraw/zinc/59/03/28/1075590328.db2.gz WZPLTZQDEHVKAX-RKDXNWHRSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)C[NH2+]C1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579398807 1075589824 /nfs/dbraw/zinc/58/98/24/1075589824.db2.gz PREKXEAIDZTBLH-UHFFFAOYSA-N 1 0 375.437 -1.275 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579398933 1075590648 /nfs/dbraw/zinc/59/06/48/1075590648.db2.gz YGMDOKAIUJRNNG-BDAKNGLRSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579398936 1075590754 /nfs/dbraw/zinc/59/07/54/1075590754.db2.gz YGMDOKAIUJRNNG-DTWKUNHWSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579398939 1075590560 /nfs/dbraw/zinc/59/05/60/1075590560.db2.gz YGMDOKAIUJRNNG-IUCAKERBSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579398942 1075590539 /nfs/dbraw/zinc/59/05/39/1075590539.db2.gz YGMDOKAIUJRNNG-RKDXNWHRSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579399036 1075590591 /nfs/dbraw/zinc/59/05/91/1075590591.db2.gz ZSKHZZUCHWXZCM-MRVPVSSYSA-N 1 0 375.393 -1.109 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579399038 1075590611 /nfs/dbraw/zinc/59/06/11/1075590611.db2.gz ZSKHZZUCHWXZCM-QMMMGPOBSA-N 1 0 375.393 -1.109 20 0 GAADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579399063 1075590735 /nfs/dbraw/zinc/59/07/35/1075590735.db2.gz ZWUBZNFNUTYXBX-MRVPVSSYSA-N 1 0 375.393 -1.109 20 0 GAADRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579399065 1075590780 /nfs/dbraw/zinc/59/07/80/1075590780.db2.gz ZWUBZNFNUTYXBX-QMMMGPOBSA-N 1 0 375.393 -1.109 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001579400622 1075590615 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/nfs/dbraw/zinc/59/06/28/1075590628.db2.gz CLMOBKOAJBHXKU-MWLCHTKSSA-N 1 0 389.420 -1.052 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C ZINC001579400715 1075590703 /nfs/dbraw/zinc/59/07/03/1075590703.db2.gz CLMOBKOAJBHXKU-ONGXEEELSA-N 1 0 389.420 -1.052 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579400750 1075590598 /nfs/dbraw/zinc/59/05/98/1075590598.db2.gz DFMAKGYOZTVHIW-CZMCAQCFSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579400751 1075590742 /nfs/dbraw/zinc/59/07/42/1075590742.db2.gz DFMAKGYOZTVHIW-UHFFFAOYSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001579400789 1075590585 /nfs/dbraw/zinc/59/05/85/1075590585.db2.gz FNJSBHBNNVABJT-JTQLQIEISA-N 1 0 391.392 -1.919 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001579400790 1075591039 /nfs/dbraw/zinc/59/10/39/1075591039.db2.gz FNJSBHBNNVABJT-SNVBAGLBSA-N 1 0 391.392 -1.919 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC1 ZINC001579400804 1075591041 /nfs/dbraw/zinc/59/10/41/1075591041.db2.gz GCQFUKWMPPAPJI-UHFFFAOYSA-N 1 0 375.393 -1.108 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)C ZINC001579400839 1075591078 /nfs/dbraw/zinc/59/10/78/1075591078.db2.gz HGFCTCQJLNIBRS-LLVKDONJSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)C ZINC001579400840 1075591143 /nfs/dbraw/zinc/59/11/43/1075591143.db2.gz HGFCTCQJLNIBRS-NSHDSACASA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 ZINC001579400860 1075591022 /nfs/dbraw/zinc/59/10/22/1075591022.db2.gz HQHJYXOUODSADL-AOOOYVTPSA-N 1 0 387.404 -1.346 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001579400871 1075591129 /nfs/dbraw/zinc/59/11/29/1075591129.db2.gz HTQZOHPMSVMVIO-LLVKDONJSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001579400872 1075591103 /nfs/dbraw/zinc/59/11/03/1075591103.db2.gz HTQZOHPMSVMVIO-NSHDSACASA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579400884 1075591134 /nfs/dbraw/zinc/59/11/34/1075591134.db2.gz IEJPZWPRJJISHU-UHFFFAOYSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579400896 1075591054 /nfs/dbraw/zinc/59/10/54/1075591054.db2.gz INQZUHWVPQGFGB-SECBINFHSA-N 1 0 375.393 -1.298 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579400897 1075591087 /nfs/dbraw/zinc/59/10/87/1075591087.db2.gz INQZUHWVPQGFGB-VIFPVBQESA-N 1 0 375.393 -1.298 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(C)C ZINC001579400900 1075591093 /nfs/dbraw/zinc/59/10/93/1075591093.db2.gz IRTOMYLEQSBEEH-LLVKDONJSA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(C)C ZINC001579400901 1075591069 /nfs/dbraw/zinc/59/10/69/1075591069.db2.gz IRTOMYLEQSBEEH-NSHDSACASA-N 1 0 377.409 -1.006 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579401037 1075591074 /nfs/dbraw/zinc/59/10/74/1075591074.db2.gz JUHKPQKCMWWZGO-SECBINFHSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579401038 1075591099 /nfs/dbraw/zinc/59/10/99/1075591099.db2.gz JUHKPQKCMWWZGO-VIFPVBQESA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 ZINC001579401055 1075591145 /nfs/dbraw/zinc/59/11/45/1075591145.db2.gz KLNGKNOJHXOPKR-UHFFFAOYSA-N 1 0 375.393 -1.108 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579401070 1075591045 /nfs/dbraw/zinc/59/10/45/1075591045.db2.gz KZKABJKTPIFJQD-UHFFFAOYSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001579401093 1075591142 /nfs/dbraw/zinc/59/11/42/1075591142.db2.gz LYGLWLVHFZJCDT-GZMMTYOYSA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001579401094 1075591140 /nfs/dbraw/zinc/59/11/40/1075591140.db2.gz LYGLWLVHFZJCDT-KCJUWKMLSA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001579401095 1075591452 /nfs/dbraw/zinc/59/14/52/1075591452.db2.gz LYGLWLVHFZJCDT-KWQFWETISA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001579401096 1075591345 /nfs/dbraw/zinc/59/13/45/1075591345.db2.gz LYGLWLVHFZJCDT-LDYMZIIASA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C ZINC001579401097 1075591552 /nfs/dbraw/zinc/59/15/52/1075591552.db2.gz LZIQKUHANKPLJC-PSASIEDQSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C ZINC001579401098 1075591529 /nfs/dbraw/zinc/59/15/29/1075591529.db2.gz LZIQKUHANKPLJC-SCZZXKLOSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C ZINC001579401099 1075591411 /nfs/dbraw/zinc/59/14/11/1075591411.db2.gz LZIQKUHANKPLJC-WCBMZHEXSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C ZINC001579401100 1075591506 /nfs/dbraw/zinc/59/15/06/1075591506.db2.gz LZIQKUHANKPLJC-WPRPVWTQSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579401115 1075591432 /nfs/dbraw/zinc/59/14/32/1075591432.db2.gz MGYQAFPXFODHTR-CZMCAQCFSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579401118 1075591354 /nfs/dbraw/zinc/59/13/54/1075591354.db2.gz MGYQAFPXFODHTR-UHFFFAOYSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001579401123 1075591476 /nfs/dbraw/zinc/59/14/76/1075591476.db2.gz MMIJLZZZXXLLGS-NXEZZACHSA-N 1 0 389.420 -1.052 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001579401126 1075591489 /nfs/dbraw/zinc/59/14/89/1075591489.db2.gz MMIJLZZZXXLLGS-UWVGGRQHSA-N 1 0 389.420 -1.052 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001579401127 1075591419 /nfs/dbraw/zinc/59/14/19/1075591419.db2.gz MMIJLZZZXXLLGS-VHSXEESVSA-N 1 0 389.420 -1.052 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001579401128 1075591398 /nfs/dbraw/zinc/59/13/98/1075591398.db2.gz MMIJLZZZXXLLGS-ZJUUUORDSA-N 1 0 389.420 -1.052 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579401344 1075591379 /nfs/dbraw/zinc/59/13/79/1075591379.db2.gz NECMKZLYVPNEKA-UHFFFAOYSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579401356 1075591298 /nfs/dbraw/zinc/59/12/98/1075591298.db2.gz NPIVVTPUADXTEH-KYZUINATSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579401357 1075591540 /nfs/dbraw/zinc/59/15/40/1075591540.db2.gz NPIVVTPUADXTEH-UHFFFAOYSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579401358 1075591518 /nfs/dbraw/zinc/59/15/18/1075591518.db2.gz NQMUSHOFTCUYPK-JTQLQIEISA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579401359 1075591459 /nfs/dbraw/zinc/59/14/59/1075591459.db2.gz NQMUSHOFTCUYPK-SNVBAGLBSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579401380 1075591368 /nfs/dbraw/zinc/59/13/68/1075591368.db2.gz OBBZWKHCKVBNEN-UHFFFAOYSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579401419 1075591564 /nfs/dbraw/zinc/59/15/64/1075591564.db2.gz PLDJHGHKAHTIDE-DTORHVGOSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579401420 1075591753 /nfs/dbraw/zinc/59/17/53/1075591753.db2.gz PLDJHGHKAHTIDE-KYZUINATSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579401421 1075591765 /nfs/dbraw/zinc/59/17/65/1075591765.db2.gz PLDJHGHKAHTIDE-UHFFFAOYSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001579401506 1075591740 /nfs/dbraw/zinc/59/17/40/1075591740.db2.gz QSFJJSNNYNDGDR-GXSJLCMTSA-N 1 0 389.420 -1.052 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001579401507 1075591836 /nfs/dbraw/zinc/59/18/36/1075591836.db2.gz QSFJJSNNYNDGDR-KOLCDFICSA-N 1 0 389.420 -1.052 20 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CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579401548 1075591722 /nfs/dbraw/zinc/59/17/22/1075591722.db2.gz RLNZKKORWALLND-SNVBAGLBSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579401558 1075591824 /nfs/dbraw/zinc/59/18/24/1075591824.db2.gz RQNNXJCLICWKFE-SECBINFHSA-N 1 0 375.393 -1.298 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579401559 1075591847 /nfs/dbraw/zinc/59/18/47/1075591847.db2.gz RQNNXJCLICWKFE-VIFPVBQESA-N 1 0 375.393 -1.298 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579401569 1075591801 /nfs/dbraw/zinc/59/18/01/1075591801.db2.gz RWQNNSFCSKQEPI-CZMCAQCFSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579401570 1075591775 /nfs/dbraw/zinc/59/17/75/1075591775.db2.gz RWQNNSFCSKQEPI-UHFFFAOYSA-N 1 0 375.393 -1.252 20 0 GAADRO 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CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001579401639 1075591856 /nfs/dbraw/zinc/59/18/56/1075591856.db2.gz UBXBAQVEZNMNIR-LLVKDONJSA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001579401640 1075592210 /nfs/dbraw/zinc/59/22/10/1075592210.db2.gz UBXBAQVEZNMNIR-NSHDSACASA-N 1 0 375.393 -1.252 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C ZINC001579401651 1075592053 /nfs/dbraw/zinc/59/20/53/1075592053.db2.gz UQNWPYBFUIYOCI-GZMMTYOYSA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C ZINC001579401652 1075592121 /nfs/dbraw/zinc/59/21/21/1075592121.db2.gz UQNWPYBFUIYOCI-KCJUWKMLSA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C ZINC001579401653 1075592217 /nfs/dbraw/zinc/59/22/17/1075592217.db2.gz UQNWPYBFUIYOCI-KWQFWETISA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C ZINC001579401654 1075592196 /nfs/dbraw/zinc/59/21/96/1075592196.db2.gz UQNWPYBFUIYOCI-LDYMZIIASA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579401655 1075592041 /nfs/dbraw/zinc/59/20/41/1075592041.db2.gz UTHAYTDBLNCZMC-SECBINFHSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579401656 1075592202 /nfs/dbraw/zinc/59/22/02/1075592202.db2.gz UTHAYTDBLNCZMC-VIFPVBQESA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579401659 1075592165 /nfs/dbraw/zinc/59/21/65/1075592165.db2.gz UUMYYBYZKMEHBR-SNVBAGLBSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579401674 1075592190 /nfs/dbraw/zinc/59/21/90/1075592190.db2.gz VHLYXUUNNGDMRZ-JTQLQIEISA-N 1 0 375.393 -1.155 20 0 GAADRO 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CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579401761 1075592506 /nfs/dbraw/zinc/59/25/06/1075592506.db2.gz XZZVNPVLMZLCJU-SECBINFHSA-N 1 0 375.393 -1.298 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579401762 1075592489 /nfs/dbraw/zinc/59/24/89/1075592489.db2.gz XZZVNPVLMZLCJU-VIFPVBQESA-N 1 0 375.393 -1.298 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001579401765 1075592533 /nfs/dbraw/zinc/59/25/33/1075592533.db2.gz YDJUFTOLENHYTJ-GZMMTYOYSA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001579401766 1075592452 /nfs/dbraw/zinc/59/24/52/1075592452.db2.gz YDJUFTOLENHYTJ-KCJUWKMLSA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001579401767 1075592372 /nfs/dbraw/zinc/59/23/72/1075592372.db2.gz YDJUFTOLENHYTJ-KWQFWETISA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001579401768 1075592433 /nfs/dbraw/zinc/59/24/33/1075592433.db2.gz YDJUFTOLENHYTJ-LDYMZIIASA-N 1 0 375.393 -1.300 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579401801 1075592441 /nfs/dbraw/zinc/59/24/41/1075592441.db2.gz ZKADZIPMRBZTCX-UHFFFAOYSA-N 1 0 375.393 -1.155 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C ZINC001579401808 1075592514 /nfs/dbraw/zinc/59/25/14/1075592514.db2.gz ZNWMOWCAJHKECA-PSASIEDQSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C ZINC001579401809 1075592483 /nfs/dbraw/zinc/59/24/83/1075592483.db2.gz ZNWMOWCAJHKECA-SCZZXKLOSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C ZINC001579401810 1075592530 /nfs/dbraw/zinc/59/25/30/1075592530.db2.gz ZNWMOWCAJHKECA-WCBMZHEXSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C ZINC001579401811 1075592501 /nfs/dbraw/zinc/59/25/01/1075592501.db2.gz ZNWMOWCAJHKECA-WPRPVWTQSA-N 1 0 375.393 -1.157 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001579401816 1075592460 /nfs/dbraw/zinc/59/24/60/1075592460.db2.gz ZSIYXTXXLIKJSK-SECBINFHSA-N 1 0 391.392 -1.919 20 0 GAADRO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001579401817 1075592401 /nfs/dbraw/zinc/59/24/01/1075592401.db2.gz ZSIYXTXXLIKJSK-VIFPVBQESA-N 1 0 391.392 -1.919 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579401940 1075592524 /nfs/dbraw/zinc/59/25/24/1075592524.db2.gz AMBFHCBOKNRYBZ-LLVKDONJSA-N 1 0 391.436 -1.245 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579401941 1075592378 /nfs/dbraw/zinc/59/23/78/1075592378.db2.gz AMBFHCBOKNRYBZ-NSHDSACASA-N 1 0 391.436 -1.245 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579401971 1075592385 /nfs/dbraw/zinc/59/23/85/1075592385.db2.gz BKFGDCAXQSFDQD-SECBINFHSA-N 1 0 382.450 -1.234 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579401972 1075592465 /nfs/dbraw/zinc/59/24/65/1075592465.db2.gz BKFGDCAXQSFDQD-VIFPVBQESA-N 1 0 382.450 -1.234 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579402537 1075592779 /nfs/dbraw/zinc/59/27/79/1075592779.db2.gz LEZMXQQIILUTRL-CYBMUJFWSA-N 1 0 376.421 -1.295 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579402538 1075592803 /nfs/dbraw/zinc/59/28/03/1075592803.db2.gz LEZMXQQIILUTRL-ZDUSSCGKSA-N 1 0 376.421 -1.295 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579402763 1075593189 /nfs/dbraw/zinc/59/31/89/1075593189.db2.gz OZMRPPRHWAWJNC-JTQLQIEISA-N 1 0 377.409 -1.554 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579402764 1075593085 /nfs/dbraw/zinc/59/30/85/1075593085.db2.gz OZMRPPRHWAWJNC-SNVBAGLBSA-N 1 0 377.409 -1.554 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001579402786 1075593288 /nfs/dbraw/zinc/59/32/88/1075593288.db2.gz PXPFFOBOHWMCLN-GFCCVEGCSA-N 1 0 376.421 -1.295 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001579402787 1075593176 /nfs/dbraw/zinc/59/31/76/1075593176.db2.gz PXPFFOBOHWMCLN-LBPRGKRZSA-N 1 0 376.421 -1.295 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001579403285 1075593969 /nfs/dbraw/zinc/59/39/69/1075593969.db2.gz YWVUROODGINBLD-CYBMUJFWSA-N 1 0 376.421 -1.295 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001579403286 1075594014 /nfs/dbraw/zinc/59/40/14/1075594014.db2.gz YWVUROODGINBLD-ZDUSSCGKSA-N 1 0 376.421 -1.295 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579403296 1075593963 /nfs/dbraw/zinc/59/39/63/1075593963.db2.gz ZCZGGPDUUFUFPC-JTQLQIEISA-N 1 0 377.409 -1.848 20 0 GAADRO CNC(=O)NCC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579403299 1075593884 /nfs/dbraw/zinc/59/38/84/1075593884.db2.gz ZCZGGPDUUFUFPC-SNVBAGLBSA-N 1 0 377.409 -1.848 20 0 GAADRO CNC(=O)NCC(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579404006 1075594911 /nfs/dbraw/zinc/59/49/11/1075594911.db2.gz VQFQOKPACOQPCJ-UHFFFAOYSA-N 1 0 377.409 -1.846 20 0 GAADRO CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001579404311 1075595407 /nfs/dbraw/zinc/59/54/07/1075595407.db2.gz ZSYKLWGCWPAHQX-UHFFFAOYSA-N 1 0 376.421 -1.294 20 0 GAADRO C[C@@H]([NH3+])Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001579404789 1075595401 /nfs/dbraw/zinc/59/54/01/1075595401.db2.gz XSZCDKVFMKJFOY-GFCCVEGCSA-N 1 0 385.494 -1.057 20 0 GAADRO CNC(=O)NCC(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579404918 1075595260 /nfs/dbraw/zinc/59/52/60/1075595260.db2.gz BWFGXSPLWUZRFR-LLVKDONJSA-N 1 0 389.420 -1.440 20 0 GAADRO CNC(=O)NCC(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579404919 1075595356 /nfs/dbraw/zinc/59/53/56/1075595356.db2.gz BWFGXSPLWUZRFR-NSHDSACASA-N 1 0 389.420 -1.440 20 0 GAADRO CNC(=O)NCC(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579404997 1075595294 /nfs/dbraw/zinc/59/52/94/1075595294.db2.gz DYCVNUQVRFNZSX-LLVKDONJSA-N 1 0 389.420 -1.358 20 0 GAADRO CNC(=O)NCC(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579404998 1075595301 /nfs/dbraw/zinc/59/53/01/1075595301.db2.gz DYCVNUQVRFNZSX-NSHDSACASA-N 1 0 389.420 -1.358 20 0 GAADRO CNC(=O)NCC(=O)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579405296 1075596193 /nfs/dbraw/zinc/59/61/93/1075596193.db2.gz NHYCKTBUSQLSGF-INIZCTEOSA-N 1 0 389.420 -1.622 20 0 GAADRO CNC(=O)NCC(=O)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579405297 1075596138 /nfs/dbraw/zinc/59/61/38/1075596138.db2.gz NHYCKTBUSQLSGF-MRXNPFEDSA-N 1 0 389.420 -1.622 20 0 GAADRO CNC(=O)NCC(=O)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579405301 1075596167 /nfs/dbraw/zinc/59/61/67/1075596167.db2.gz NLPBDOAPDAXMPC-UHFFFAOYSA-N 1 0 389.420 -1.622 20 0 GAADRO CNC(=O)NCC(=O)N1CCO[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579405386 1075596149 /nfs/dbraw/zinc/59/61/49/1075596149.db2.gz PRQJCFFSCDEQGL-GWCFXTLKSA-N 1 0 389.420 -1.360 20 0 GAADRO CNC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579405388 1075596188 /nfs/dbraw/zinc/59/61/88/1075596188.db2.gz PRQJCFFSCDEQGL-GXFFZTMASA-N 1 0 389.420 -1.360 20 0 GAADRO CNC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579405389 1075596183 /nfs/dbraw/zinc/59/61/83/1075596183.db2.gz PRQJCFFSCDEQGL-MFKMUULPSA-N 1 0 389.420 -1.360 20 0 GAADRO CNC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579405390 1075596100 /nfs/dbraw/zinc/59/61/00/1075596100.db2.gz PRQJCFFSCDEQGL-ZWNOBZJWSA-N 1 0 389.420 -1.360 20 0 GAADRO C[C@@H]([NH3+])Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001579406042 1075596828 /nfs/dbraw/zinc/59/68/28/1075596828.db2.gz HWNJVMWLHTZGNC-AGIUHOORSA-N 1 0 377.449 -1.334 20 0 GAADRO C[C@@H]([NH3+])Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001579406047 1075596833 /nfs/dbraw/zinc/59/68/33/1075596833.db2.gz HWNJVMWLHTZGNC-FRRDWIJNSA-N 1 0 377.449 -1.334 20 0 GAADRO C[C@@H]([NH3+])Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001579406049 1075596848 /nfs/dbraw/zinc/59/68/48/1075596848.db2.gz HWNJVMWLHTZGNC-JHJVBQTASA-N 1 0 377.449 -1.334 20 0 GAADRO C[C@@H]([NH3+])Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001579406051 1075597103 /nfs/dbraw/zinc/59/71/03/1075597103.db2.gz HWNJVMWLHTZGNC-UPJWGTAASA-N 1 0 377.449 -1.334 20 0 GAADRO CNC(=O)NCC(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579406076 1075596870 /nfs/dbraw/zinc/59/68/70/1075596870.db2.gz XOJTVDNLXOGCJK-JTQLQIEISA-N 1 0 375.393 -1.748 20 0 GAADRO CNC(=O)NCC(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579406078 1075597006 /nfs/dbraw/zinc/59/70/06/1075597006.db2.gz XOJTVDNLXOGCJK-SNVBAGLBSA-N 1 0 375.393 -1.748 20 0 GAADRO CNC(=O)NCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001579406427 1075596838 /nfs/dbraw/zinc/59/68/38/1075596838.db2.gz BRHCYZCEGMAKAB-UHFFFAOYSA-N 1 0 389.420 -1.310 20 0 GAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001579409063 1075598521 /nfs/dbraw/zinc/59/85/21/1075598521.db2.gz BMNZGSALSYPUDD-KBPBESRZSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001579409064 1075598440 /nfs/dbraw/zinc/59/84/40/1075598440.db2.gz BMNZGSALSYPUDD-KGLIPLIRSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001579409065 1075598509 /nfs/dbraw/zinc/59/85/09/1075598509.db2.gz BMNZGSALSYPUDD-UONOGXRCSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001579409066 1075598902 /nfs/dbraw/zinc/59/89/02/1075598902.db2.gz BMNZGSALSYPUDD-ZIAGYGMSSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579409249 1075598798 /nfs/dbraw/zinc/59/87/98/1075598798.db2.gz GFOGJSHTVKJNFQ-JTQLQIEISA-N 1 0 380.384 -1.499 20 0 GAADRO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579409250 1075598905 /nfs/dbraw/zinc/59/89/05/1075598905.db2.gz GFOGJSHTVKJNFQ-SNVBAGLBSA-N 1 0 380.384 -1.499 20 0 GAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579409336 1075599318 /nfs/dbraw/zinc/59/93/18/1075599318.db2.gz HWXYWKDXPPLZQF-KBPBESRZSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579409337 1075599264 /nfs/dbraw/zinc/59/92/64/1075599264.db2.gz HWXYWKDXPPLZQF-KGLIPLIRSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001579409338 1075599257 /nfs/dbraw/zinc/59/92/57/1075599257.db2.gz HWXYWKDXPPLZQF-UONOGXRCSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001579409339 1075599293 /nfs/dbraw/zinc/59/92/93/1075599293.db2.gz HWXYWKDXPPLZQF-ZIAGYGMSSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001579409403 1075599211 /nfs/dbraw/zinc/59/92/11/1075599211.db2.gz JGKFKUJIOJIYAK-LLVKDONJSA-N 1 0 392.420 -1.629 20 0 GAADRO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001579409404 1075599169 /nfs/dbraw/zinc/59/91/69/1075599169.db2.gz JGKFKUJIOJIYAK-NSHDSACASA-N 1 0 392.420 -1.629 20 0 GAADRO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579409579 1075599615 /nfs/dbraw/zinc/59/96/15/1075599615.db2.gz MVVNAWWHOVJQBE-JTQLQIEISA-N 1 0 380.384 -1.499 20 0 GAADRO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579409580 1075599558 /nfs/dbraw/zinc/59/95/58/1075599558.db2.gz MVVNAWWHOVJQBE-SNVBAGLBSA-N 1 0 380.384 -1.499 20 0 GAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001579409729 1075599939 /nfs/dbraw/zinc/59/99/39/1075599939.db2.gz PWVGTHYLWPKWTK-KBPBESRZSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001579409730 1075599933 /nfs/dbraw/zinc/59/99/33/1075599933.db2.gz PWVGTHYLWPKWTK-KGLIPLIRSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001579409731 1075599991 /nfs/dbraw/zinc/59/99/91/1075599991.db2.gz PWVGTHYLWPKWTK-UONOGXRCSA-N 1 0 388.432 -1.153 20 0 GAADRO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001579409732 1075600046 /nfs/dbraw/zinc/60/00/46/1075600046.db2.gz PWVGTHYLWPKWTK-ZIAGYGMSSA-N 1 0 388.432 -1.153 20 0 GAADRO 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1075601096 /nfs/dbraw/zinc/60/10/96/1075601096.db2.gz GBLZZYOTIPNAJP-NSHDSACASA-N 1 0 380.384 -1.499 20 0 GAADRO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579411357 1075601160 /nfs/dbraw/zinc/60/11/60/1075601160.db2.gz GQEMKKPQBLIWHM-KRWDZBQOSA-N 1 0 388.432 -1.151 20 0 GAADRO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579411358 1075601177 /nfs/dbraw/zinc/60/11/77/1075601177.db2.gz GQEMKKPQBLIWHM-QGZVFWFLSA-N 1 0 388.432 -1.151 20 0 GAADRO CNC(=O)NCC(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579411543 1075601513 /nfs/dbraw/zinc/60/15/13/1075601513.db2.gz HQAHLHHHIMIDFZ-INIZCTEOSA-N 1 0 389.420 -1.443 20 0 GAADRO CNC(=O)NCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579411544 1075601528 /nfs/dbraw/zinc/60/15/28/1075601528.db2.gz HQAHLHHHIMIDFZ-MRXNPFEDSA-N 1 0 389.420 -1.443 20 0 GAADRO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579411650 1075601567 /nfs/dbraw/zinc/60/15/67/1075601567.db2.gz JMPSSRMTFCESKI-JTQLQIEISA-N 1 0 380.384 -1.499 20 0 GAADRO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579411651 1075601498 /nfs/dbraw/zinc/60/14/98/1075601498.db2.gz JMPSSRMTFCESKI-SNVBAGLBSA-N 1 0 380.384 -1.499 20 0 GAADRO CNC(=O)NCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001579412004 1075602937 /nfs/dbraw/zinc/60/29/37/1075602937.db2.gz UHHNTZXFNISXJY-UHFFFAOYSA-N 1 0 389.420 -1.310 20 0 GAADRO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579412089 1075603223 /nfs/dbraw/zinc/60/32/23/1075603223.db2.gz WSJRGVYOXNWNOR-JTQLQIEISA-N 1 0 380.384 -1.499 20 0 GAADRO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579412090 1075603381 /nfs/dbraw/zinc/60/33/81/1075603381.db2.gz WSJRGVYOXNWNOR-SNVBAGLBSA-N 1 0 380.384 -1.499 20 0 GAADRO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001579412150 1075603780 /nfs/dbraw/zinc/60/37/80/1075603780.db2.gz YRVYRMPLPKUTQF-LLVKDONJSA-N 1 0 392.420 -1.629 20 0 GAADRO 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ZINC001579413400 1075605294 /nfs/dbraw/zinc/60/52/94/1075605294.db2.gz LWZMIRMIRYCNOH-ZYHUDNBSSA-N 1 0 375.393 -1.835 20 0 GAADRO CNC(=O)NCC(=O)NCCOCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579413834 1075605757 /nfs/dbraw/zinc/60/57/57/1075605757.db2.gz UUHIQBUQUXMAJE-UHFFFAOYSA-N 1 0 377.409 -1.240 20 0 GAADRO CNC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1OC ZINC001579413930 1075606065 /nfs/dbraw/zinc/60/60/65/1075606065.db2.gz YYSJNNXZVKAZED-DGCLKSJQSA-N 1 0 389.420 -1.181 20 0 GAADRO CNC(=O)NCCC(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579417549 1075607513 /nfs/dbraw/zinc/60/75/13/1075607513.db2.gz UOJFFBITPQCHRY-LLVKDONJSA-N 1 0 389.420 -1.358 20 0 GAADRO CNC(=O)NCCC(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579417550 1075607494 /nfs/dbraw/zinc/60/74/94/1075607494.db2.gz UOJFFBITPQCHRY-NSHDSACASA-N 1 0 389.420 -1.358 20 0 GAADRO CNC(=O)NCCC(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579417887 1075607828 /nfs/dbraw/zinc/60/78/28/1075607828.db2.gz WINAHUXITRCVHL-UHFFFAOYSA-N 1 0 377.409 -1.765 20 0 GAADRO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001579417978 1075607853 /nfs/dbraw/zinc/60/78/53/1075607853.db2.gz JOZNOLIMWCOTDJ-CYBMUJFWSA-N 1 0 376.421 -1.248 20 0 GAADRO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001579417979 1075607821 /nfs/dbraw/zinc/60/78/21/1075607821.db2.gz JOZNOLIMWCOTDJ-ZDUSSCGKSA-N 1 0 376.421 -1.248 20 0 GAADRO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001579418026 1075607889 /nfs/dbraw/zinc/60/78/89/1075607889.db2.gz LCTVRLQMSBRBQT-GFCCVEGCSA-N 1 0 376.421 -1.248 20 0 GAADRO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001579418027 1075607861 /nfs/dbraw/zinc/60/78/61/1075607861.db2.gz LCTVRLQMSBRBQT-LBPRGKRZSA-N 1 0 376.421 -1.248 20 0 GAADRO CNC(=O)NCCC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579418030 1075607883 /nfs/dbraw/zinc/60/78/83/1075607883.db2.gz LDYBDCJRJSJHME-JTQLQIEISA-N 1 0 377.409 -1.800 20 0 GAADRO 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/nfs/dbraw/zinc/60/89/87/1075608987.db2.gz VNOSLFVUABOGJY-ZDUSSCGKSA-N 1 0 376.421 -1.248 20 0 GAADRO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579418450 1075608915 /nfs/dbraw/zinc/60/89/15/1075608915.db2.gz WHWFZDXKNBNNDY-SECBINFHSA-N 1 0 382.450 -1.186 20 0 GAADRO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579418451 1075609022 /nfs/dbraw/zinc/60/90/22/1075609022.db2.gz WHWFZDXKNBNNDY-VIFPVBQESA-N 1 0 382.450 -1.186 20 0 GAADRO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579418525 1075608944 /nfs/dbraw/zinc/60/89/44/1075608944.db2.gz YSDMEEFPHVQMFP-SECBINFHSA-N 1 0 382.450 -1.186 20 0 GAADRO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579418526 1075609386 /nfs/dbraw/zinc/60/93/86/1075609386.db2.gz YSDMEEFPHVQMFP-VIFPVBQESA-N 1 0 382.450 -1.186 20 0 GAADRO CNC(=O)NCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001579419167 1075609357 /nfs/dbraw/zinc/60/93/57/1075609357.db2.gz AEUIKDHPTPGFAB-DGCLKSJQSA-N 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CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579426362 1075616776 /nfs/dbraw/zinc/61/67/76/1075616776.db2.gz NGIISIIOEPGLMM-LBPRGKRZSA-N 1 0 383.434 -2.017 20 0 GAADRO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579426399 1075617278 /nfs/dbraw/zinc/61/72/78/1075617278.db2.gz OVYCVSUZDLGAOZ-MRVPVSSYSA-N 1 0 389.463 -1.956 20 0 GAADRO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579426404 1075617261 /nfs/dbraw/zinc/61/72/61/1075617261.db2.gz OVYCVSUZDLGAOZ-QMMMGPOBSA-N 1 0 389.463 -1.956 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001579426721 1075617798 /nfs/dbraw/zinc/61/77/98/1075617798.db2.gz SDPRRPLKXSMXBQ-PWSUYJOCSA-N 1 0 396.433 -2.215 20 0 GAADRO CNS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579426745 1075617843 /nfs/dbraw/zinc/61/78/43/1075617843.db2.gz SXVXLYCWUQLGBL-AOOOYVTPSA-N 1 0 380.434 -1.461 20 0 GAADRO 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ZINC001579427084 1075618859 /nfs/dbraw/zinc/61/88/59/1075618859.db2.gz WKZFTPOKPKFOMH-LBPRGKRZSA-N 1 0 383.434 -2.017 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579427085 1075618761 /nfs/dbraw/zinc/61/87/61/1075618761.db2.gz WLNKJGLPQRIKEE-GFCCVEGCSA-N 1 0 380.434 -1.461 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579427086 1075618883 /nfs/dbraw/zinc/61/88/83/1075618883.db2.gz WLNKJGLPQRIKEE-LBPRGKRZSA-N 1 0 380.434 -1.461 20 0 GAADRO CNS(=O)(=O)CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579427090 1075618879 /nfs/dbraw/zinc/61/88/79/1075618879.db2.gz WNBKNYLLGLGYNE-GFCCVEGCSA-N 1 0 380.434 -1.461 20 0 GAADRO CNS(=O)(=O)CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579427091 1075618874 /nfs/dbraw/zinc/61/88/74/1075618874.db2.gz WNBKNYLLGLGYNE-LBPRGKRZSA-N 1 0 380.434 -1.461 20 0 GAADRO CNS(=O)(=O)CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001579427098 1075619176 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ZINC001579427759 1075622519 /nfs/dbraw/zinc/62/25/19/1075622519.db2.gz PDXMOIQYMDSSFZ-SNVBAGLBSA-N 1 0 380.434 -1.364 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001579427806 1075622927 /nfs/dbraw/zinc/62/29/27/1075622927.db2.gz QUMBVVUFHAVZGP-NHAGDIPZSA-N 1 0 391.457 -1.038 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579427886 1075623419 /nfs/dbraw/zinc/62/34/19/1075623419.db2.gz TUZYWTIKISOORE-IWIIMEHWSA-N 1 0 378.418 -1.638 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579427904 1075623346 /nfs/dbraw/zinc/62/33/46/1075623346.db2.gz UHHQKHRRNVXFAS-AOOOYVTPSA-N 1 0 380.434 -1.400 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579427905 1075623750 /nfs/dbraw/zinc/62/37/50/1075623750.db2.gz UHHQKHRRNVXFAS-MGCOHNPYSA-N 1 0 380.434 -1.400 20 0 GAADRO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579427929 1075623694 /nfs/dbraw/zinc/62/36/94/1075623694.db2.gz VRNBESFYBFNIKT-AOOOYVTPSA-N 1 0 380.434 -1.318 20 0 GAADRO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579427930 1075623759 /nfs/dbraw/zinc/62/37/59/1075623759.db2.gz VRNBESFYBFNIKT-MGCOHNPYSA-N 1 0 380.434 -1.318 20 0 GAADRO CNS(=O)(=O)CCC(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579427935 1075623789 /nfs/dbraw/zinc/62/37/89/1075623789.db2.gz VYGQKTXIDKGBBN-JTQLQIEISA-N 1 0 382.450 -1.213 20 0 GAADRO CNS(=O)(=O)CCC(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579427936 1075623729 /nfs/dbraw/zinc/62/37/29/1075623729.db2.gz VYGQKTXIDKGBBN-SNVBAGLBSA-N 1 0 382.450 -1.213 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001579427946 1075623664 /nfs/dbraw/zinc/62/36/64/1075623664.db2.gz WTZQUXNAUJSUDN-NHAGDIPZSA-N 1 0 391.457 -1.038 20 0 GAADRO CNS(=O)(=O)CCC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579427986 1075624074 /nfs/dbraw/zinc/62/40/74/1075624074.db2.gz 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CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579428126 1075624966 /nfs/dbraw/zinc/62/49/66/1075624966.db2.gz CKYOCZZMZFJAFS-JTQLQIEISA-N 1 0 382.450 -1.485 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579428158 1075625014 /nfs/dbraw/zinc/62/50/14/1075625014.db2.gz FLNPDIHRKIBFSO-MRVPVSSYSA-N 1 0 388.479 -1.424 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001579428159 1075625101 /nfs/dbraw/zinc/62/51/01/1075625101.db2.gz FLNPDIHRKIBFSO-QMMMGPOBSA-N 1 0 388.479 -1.424 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428181 1075625269 /nfs/dbraw/zinc/62/52/69/1075625269.db2.gz GOYUZFOMZXDCEH-SECBINFHSA-N 1 0 383.438 -2.004 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428182 1075625347 /nfs/dbraw/zinc/62/53/47/1075625347.db2.gz GOYUZFOMZXDCEH-VIFPVBQESA-N 1 0 383.438 -2.004 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428200 1075625338 /nfs/dbraw/zinc/62/53/38/1075625338.db2.gz HPYUWBCQYIXSMC-BDAKNGLRSA-N 1 0 383.438 -1.958 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428201 1075625421 /nfs/dbraw/zinc/62/54/21/1075625421.db2.gz HPYUWBCQYIXSMC-DTWKUNHWSA-N 1 0 383.438 -1.958 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428202 1075625489 /nfs/dbraw/zinc/62/54/89/1075625489.db2.gz HPYUWBCQYIXSMC-IUCAKERBSA-N 1 0 383.438 -1.958 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428203 1075625326 /nfs/dbraw/zinc/62/53/26/1075625326.db2.gz HPYUWBCQYIXSMC-RKDXNWHRSA-N 1 0 383.438 -1.958 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428224 1075625361 /nfs/dbraw/zinc/62/53/61/1075625361.db2.gz ILAGYPKKOVAEBK-SECBINFHSA-N 1 0 383.438 -1.744 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428225 1075625783 /nfs/dbraw/zinc/62/57/83/1075625783.db2.gz ILAGYPKKOVAEBK-VIFPVBQESA-N 1 0 383.438 -1.744 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428238 1075625862 /nfs/dbraw/zinc/62/58/62/1075625862.db2.gz JDTKPWVGOFARMZ-SECBINFHSA-N 1 0 383.438 -1.956 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428239 1075625688 /nfs/dbraw/zinc/62/56/88/1075625688.db2.gz JDTKPWVGOFARMZ-VIFPVBQESA-N 1 0 383.438 -1.956 20 0 GAADRO CNS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428392 1075625849 /nfs/dbraw/zinc/62/58/49/1075625849.db2.gz LGKHDJRMFLSKGA-SECBINFHSA-N 1 0 383.438 -1.744 20 0 GAADRO CNS(=O)(=O)NCC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428393 1075625693 /nfs/dbraw/zinc/62/56/93/1075625693.db2.gz LGKHDJRMFLSKGA-VIFPVBQESA-N 1 0 383.438 -1.744 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001579428458 1075626117 /nfs/dbraw/zinc/62/61/17/1075626117.db2.gz MRTALOSIZCJAID-JTQLQIEISA-N 1 0 382.450 -1.485 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001579428460 1075626280 /nfs/dbraw/zinc/62/62/80/1075626280.db2.gz MRTALOSIZCJAID-SNVBAGLBSA-N 1 0 382.450 -1.485 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428490 1075626108 /nfs/dbraw/zinc/62/61/08/1075626108.db2.gz NJEMZGKVCBEORV-SECBINFHSA-N 1 0 383.438 -2.004 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428491 1075626149 /nfs/dbraw/zinc/62/61/49/1075626149.db2.gz NJEMZGKVCBEORV-VIFPVBQESA-N 1 0 383.438 -2.004 20 0 GAADRO CNS(=O)(=O)NCC(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428493 1075626199 /nfs/dbraw/zinc/62/61/99/1075626199.db2.gz NJPICQWDWOOHII-SECBINFHSA-N 1 0 383.438 -2.098 20 0 GAADRO CNS(=O)(=O)NCC(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428495 1075626229 /nfs/dbraw/zinc/62/62/29/1075626229.db2.gz NJPICQWDWOOHII-VIFPVBQESA-N 1 0 383.438 -2.098 20 0 GAADRO CNS(=O)(=O)NCC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579428539 1075626140 /nfs/dbraw/zinc/62/61/40/1075626140.db2.gz OSJBXYAOEFZGDO-SECBINFHSA-N 1 0 383.438 -2.038 20 0 GAADRO CNS(=O)(=O)NCC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579428540 1075626665 /nfs/dbraw/zinc/62/66/65/1075626665.db2.gz OSJBXYAOEFZGDO-VIFPVBQESA-N 1 0 383.438 -2.038 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001579428594 1075626656 /nfs/dbraw/zinc/62/66/56/1075626656.db2.gz QLMNLYJXMBGFSX-UHFFFAOYSA-N 1 0 382.450 -1.532 20 0 GAADRO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579428700 1075627081 /nfs/dbraw/zinc/62/70/81/1075627081.db2.gz SXWZMXICTRTSOU-JTQLQIEISA-N 1 0 382.450 -1.485 20 0 GAADRO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579428701 1075626945 /nfs/dbraw/zinc/62/69/45/1075626945.db2.gz SXWZMXICTRTSOU-SNVBAGLBSA-N 1 0 382.450 -1.485 20 0 GAADRO CNS(=O)(=O)NCC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579428873 1075627078 /nfs/dbraw/zinc/62/70/78/1075627078.db2.gz USGUYZIDNZUSTM-UHFFFAOYSA-N 1 0 383.438 -1.824 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428908 1075627559 /nfs/dbraw/zinc/62/75/59/1075627559.db2.gz WAWFLANGQALZTJ-UHFFFAOYSA-N 1 0 383.438 -1.790 20 0 GAADRO CNS(=O)(=O)NCC(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428926 1075627494 /nfs/dbraw/zinc/62/74/94/1075627494.db2.gz WUYCDWMOHCGYFA-SECBINFHSA-N 1 0 383.438 -1.956 20 0 GAADRO CNS(=O)(=O)NCC(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579428927 1075627571 /nfs/dbraw/zinc/62/75/71/1075627571.db2.gz WUYCDWMOHCGYFA-VIFPVBQESA-N 1 0 383.438 -1.956 20 0 GAADRO CNS(=O)(=O)NCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579428935 1075627532 /nfs/dbraw/zinc/62/75/32/1075627532.db2.gz XBVKIAFHMFGAHI-UHFFFAOYSA-N 1 0 381.422 -2.202 20 0 GAADRO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001579428949 1075627510 /nfs/dbraw/zinc/62/75/10/1075627510.db2.gz XKAQYLCDSZUGOR-UHFFFAOYSA-N 1 0 382.450 -1.532 20 0 GAADRO CNS(=O)(=O)NCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579428953 1075627527 /nfs/dbraw/zinc/62/75/27/1075627527.db2.gz XQKALWSNIIRFDX-SECBINFHSA-N 1 0 381.422 -2.250 20 0 GAADRO CNS(=O)(=O)NCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579428955 1075627467 /nfs/dbraw/zinc/62/74/67/1075627467.db2.gz XQKALWSNIIRFDX-VIFPVBQESA-N 1 0 381.422 -2.250 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001579429080 1075627456 /nfs/dbraw/zinc/62/74/56/1075627456.db2.gz ZAFHXJSOVJZSQH-JTQLQIEISA-N 1 0 382.450 -1.485 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001579429081 1075627435 /nfs/dbraw/zinc/62/74/35/1075627435.db2.gz ZAFHXJSOVJZSQH-SNVBAGLBSA-N 1 0 382.450 -1.485 20 0 GAADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001579452079 1075630544 /nfs/dbraw/zinc/63/05/44/1075630544.db2.gz DKSZKEZXBDXQNC-CHWSQXEVSA-N 1 0 379.465 -1.096 20 0 GAADRO COC(=O)NCC(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579455056 1075631055 /nfs/dbraw/zinc/63/10/55/1075631055.db2.gz KOQVMXLHKSVRCD-UHFFFAOYSA-N 1 0 378.393 -1.419 20 0 GAADRO COC(=O)NCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579455114 1075631034 /nfs/dbraw/zinc/63/10/34/1075631034.db2.gz MLNLZUOSQNBBON-JTQLQIEISA-N 1 0 378.393 -1.421 20 0 GAADRO COC(=O)NCC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579455115 1075631020 /nfs/dbraw/zinc/63/10/20/1075631020.db2.gz MLNLZUOSQNBBON-SNVBAGLBSA-N 1 0 378.393 -1.421 20 0 GAADRO COC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579455395 1075631500 /nfs/dbraw/zinc/63/15/00/1075631500.db2.gz SBRAKMXXXNGRDG-JTQLQIEISA-N 1 0 378.393 -1.127 20 0 GAADRO COC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579455397 1075631476 /nfs/dbraw/zinc/63/14/76/1075631476.db2.gz SBRAKMXXXNGRDG-SNVBAGLBSA-N 1 0 378.393 -1.127 20 0 GAADRO COC(=O)NCC(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579458893 1075631760 /nfs/dbraw/zinc/63/17/60/1075631760.db2.gz QMWMMWGGCWOUIR-JTQLQIEISA-N 1 0 376.377 -1.321 20 0 GAADRO COC(=O)NCC(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579458894 1075631734 /nfs/dbraw/zinc/63/17/34/1075631734.db2.gz QMWMMWGGCWOUIR-SNVBAGLBSA-N 1 0 376.377 -1.321 20 0 GAADRO COC(=O)NCC(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579458898 1075631752 /nfs/dbraw/zinc/63/17/52/1075631752.db2.gz QRWOZLSARBMQSK-LLVKDONJSA-N 1 0 390.404 -1.013 20 0 GAADRO COC(=O)NCC(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579458899 1075631802 /nfs/dbraw/zinc/63/18/02/1075631802.db2.gz QRWOZLSARBMQSK-NSHDSACASA-N 1 0 390.404 -1.013 20 0 GAADRO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579461014 1075632189 /nfs/dbraw/zinc/63/21/89/1075632189.db2.gz AMMPQMUBLULLEJ-JTQLQIEISA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579461021 1075632193 /nfs/dbraw/zinc/63/21/93/1075632193.db2.gz AMMPQMUBLULLEJ-SNVBAGLBSA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579461023 1075632098 /nfs/dbraw/zinc/63/20/98/1075632098.db2.gz AQCYHCATSCQKRT-LLVKDONJSA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579461025 1075632198 /nfs/dbraw/zinc/63/21/98/1075632198.db2.gz AQCYHCATSCQKRT-NSHDSACASA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579461380 1075632637 /nfs/dbraw/zinc/63/26/37/1075632637.db2.gz FZZYJERYHDYFSP-JTQLQIEISA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579461381 1075632504 /nfs/dbraw/zinc/63/25/04/1075632504.db2.gz FZZYJERYHDYFSP-SNVBAGLBSA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001579461386 1075632511 /nfs/dbraw/zinc/63/25/11/1075632511.db2.gz GCAKEJGTKFFYNS-AAEUAGOBSA-N 1 0 390.404 -1.018 20 0 GAADRO COC(=O)NCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001579461387 1075632536 /nfs/dbraw/zinc/63/25/36/1075632536.db2.gz GCAKEJGTKFFYNS-DGCLKSJQSA-N 1 0 390.404 -1.018 20 0 GAADRO COC(=O)NCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001579461388 1075632543 /nfs/dbraw/zinc/63/25/43/1075632543.db2.gz GCAKEJGTKFFYNS-WCQYABFASA-N 1 0 390.404 -1.018 20 0 GAADRO COC(=O)NCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001579461389 1075632562 /nfs/dbraw/zinc/63/25/62/1075632562.db2.gz GCAKEJGTKFFYNS-YPMHNXCESA-N 1 0 390.404 -1.018 20 0 GAADRO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579461496 1075632884 /nfs/dbraw/zinc/63/28/84/1075632884.db2.gz HCCBSVHLNIOOSM-LLVKDONJSA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579461497 1075632868 /nfs/dbraw/zinc/63/28/68/1075632868.db2.gz HCCBSVHLNIOOSM-NSHDSACASA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579461628 1075632844 /nfs/dbraw/zinc/63/28/44/1075632844.db2.gz KDDNIOFYYVNRQA-JTQLQIEISA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579461629 1075632857 /nfs/dbraw/zinc/63/28/57/1075632857.db2.gz KDDNIOFYYVNRQA-SNVBAGLBSA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579461776 1075633322 /nfs/dbraw/zinc/63/33/22/1075633322.db2.gz OEFOPUHTZZXEMC-INIZCTEOSA-N 1 0 390.404 -1.016 20 0 GAADRO COC(=O)NCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001579461777 1075633254 /nfs/dbraw/zinc/63/32/54/1075633254.db2.gz OEFOPUHTZZXEMC-MRXNPFEDSA-N 1 0 390.404 -1.016 20 0 GAADRO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579462072 1075633281 /nfs/dbraw/zinc/63/32/81/1075633281.db2.gz VASUHQDDAYVSHV-JTQLQIEISA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579462073 1075633246 /nfs/dbraw/zinc/63/32/46/1075633246.db2.gz VASUHQDDAYVSHV-SNVBAGLBSA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579462172 1075633671 /nfs/dbraw/zinc/63/36/71/1075633671.db2.gz XDPYDGJUPXFXJL-LLVKDONJSA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579462173 1075633677 /nfs/dbraw/zinc/63/36/77/1075633677.db2.gz XDPYDGJUPXFXJL-NSHDSACASA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579462254 1075633613 /nfs/dbraw/zinc/63/36/13/1075633613.db2.gz ZEWWVLPFUWLLIM-LLVKDONJSA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579462255 1075633524 /nfs/dbraw/zinc/63/35/24/1075633524.db2.gz ZEWWVLPFUWLLIM-NSHDSACASA-N 1 0 381.368 -1.072 20 0 GAADRO COC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001579464157 1075634938 /nfs/dbraw/zinc/63/49/38/1075634938.db2.gz BGXFRZMKDMDWII-PWSUYJOCSA-N 1 0 376.377 -1.408 20 0 GAADRO COC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001579464158 1075634747 /nfs/dbraw/zinc/63/47/47/1075634747.db2.gz BGXFRZMKDMDWII-ZYHUDNBSSA-N 1 0 376.377 -1.408 20 0 GAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001579464514 1075635241 /nfs/dbraw/zinc/63/52/41/1075635241.db2.gz OSBCVTMVUJOBAZ-CHWSQXEVSA-N 1 0 375.389 -1.116 20 0 GAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001579464515 1075635265 /nfs/dbraw/zinc/63/52/65/1075635265.db2.gz OSBCVTMVUJOBAZ-OLZOCXBDSA-N 1 0 375.389 -1.116 20 0 GAADRO COC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001579464630 1075635311 /nfs/dbraw/zinc/63/53/11/1075635311.db2.gz WTOXKRFJAJUORH-CHWSQXEVSA-N 1 0 375.389 -1.116 20 0 GAADRO CO[C@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCOC1 ZINC001579497826 1075636078 /nfs/dbraw/zinc/63/60/78/1075636078.db2.gz DXBQDCHNOGYJTF-DOMZBBRYSA-N 1 0 391.432 -1.032 20 0 GAADRO CO[C@@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCOC1 ZINC001579497828 1075636541 /nfs/dbraw/zinc/63/65/41/1075636541.db2.gz DXBQDCHNOGYJTF-IUODEOHRSA-N 1 0 391.432 -1.032 20 0 GAADRO CO[C@@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCOC1 ZINC001579497830 1075636516 /nfs/dbraw/zinc/63/65/16/1075636516.db2.gz DXBQDCHNOGYJTF-SWLSCSKDSA-N 1 0 391.432 -1.032 20 0 GAADRO CO[C@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCOC1 ZINC001579497832 1075636511 /nfs/dbraw/zinc/63/65/11/1075636511.db2.gz DXBQDCHNOGYJTF-WFASDCNBSA-N 1 0 391.432 -1.032 20 0 GAADRO CO[C@@H](C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515147 1075636801 /nfs/dbraw/zinc/63/68/01/1075636801.db2.gz AEKBXYQKOOSWBB-BXUZGUMPSA-N 1 0 387.404 -1.306 20 0 GAADRO CO[C@H](C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515148 1075636920 /nfs/dbraw/zinc/63/69/20/1075636920.db2.gz AEKBXYQKOOSWBB-FZMZJTMJSA-N 1 0 387.404 -1.306 20 0 GAADRO CO[C@H](C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515149 1075636875 /nfs/dbraw/zinc/63/68/75/1075636875.db2.gz AEKBXYQKOOSWBB-RISCZKNCSA-N 1 0 387.404 -1.306 20 0 GAADRO CO[C@@H](C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515150 1075636927 /nfs/dbraw/zinc/63/69/27/1075636927.db2.gz AEKBXYQKOOSWBB-SMDDNHRTSA-N 1 0 387.404 -1.306 20 0 GAADRO CO[C@@H](C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515813 1075636943 /nfs/dbraw/zinc/63/69/43/1075636943.db2.gz GONXQGBACRPANU-BXUZGUMPSA-N 1 0 387.404 -1.306 20 0 GAADRO CO[C@H](C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515815 1075637201 /nfs/dbraw/zinc/63/72/01/1075637201.db2.gz GONXQGBACRPANU-FZMZJTMJSA-N 1 0 387.404 -1.306 20 0 GAADRO CO[C@H](C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515817 1075637292 /nfs/dbraw/zinc/63/72/92/1075637292.db2.gz GONXQGBACRPANU-RISCZKNCSA-N 1 0 387.404 -1.306 20 0 GAADRO CO[C@@H](C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001579515818 1075637158 /nfs/dbraw/zinc/63/71/58/1075637158.db2.gz GONXQGBACRPANU-SMDDNHRTSA-N 1 0 387.404 -1.306 20 0 GAADRO COCC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579620725 1075641121 /nfs/dbraw/zinc/64/11/21/1075641121.db2.gz NDHFPMJSCKPSFN-LLVKDONJSA-N 1 0 392.420 -1.980 20 0 GAADRO COCC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579620726 1075641533 /nfs/dbraw/zinc/64/15/33/1075641533.db2.gz NDHFPMJSCKPSFN-NSHDSACASA-N 1 0 392.420 -1.980 20 0 GAADRO COCC(=O)N(C)CC(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579620866 1075641909 /nfs/dbraw/zinc/64/19/09/1075641909.db2.gz RGCYQBAUMSCBJM-UHFFFAOYSA-N 1 0 376.421 -1.033 20 0 GAADRO COCC(=O)N(C)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579623050 1075644360 /nfs/dbraw/zinc/64/43/60/1075644360.db2.gz GIZWVPXNERKVEU-LLVKDONJSA-N 1 0 392.420 -2.014 20 0 GAADRO COCC(=O)N(C)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579623051 1075644307 /nfs/dbraw/zinc/64/43/07/1075644307.db2.gz GIZWVPXNERKVEU-NSHDSACASA-N 1 0 392.420 -2.014 20 0 GAADRO COCC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579623904 1075645894 /nfs/dbraw/zinc/64/58/94/1075645894.db2.gz TVQOPGIGAUNTDO-JTQLQIEISA-N 1 0 378.393 -2.323 20 0 GAADRO COCC(=O)N(C)CC(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579623912 1075645911 /nfs/dbraw/zinc/64/59/11/1075645911.db2.gz TVQOPGIGAUNTDO-SNVBAGLBSA-N 1 0 378.393 -2.323 20 0 GAADRO COCC(=O)N(C)CC(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579624211 1075646280 /nfs/dbraw/zinc/64/62/80/1075646280.db2.gz ZLTLVLIPXIOLQA-LLVKDONJSA-N 1 0 392.420 -2.014 20 0 GAADRO COCC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001579624212 1075646258 /nfs/dbraw/zinc/64/62/58/1075646258.db2.gz ZLTLVLIPXIOLQA-NSHDSACASA-N 1 0 392.420 -2.014 20 0 GAADRO COCC(=O)NCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579640829 1075653159 /nfs/dbraw/zinc/65/31/59/1075653159.db2.gz JENVEPYAGAMASF-ATCWAGBWSA-N 1 0 386.416 -1.035 20 0 GAADRO COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579698772 1075656003 /nfs/dbraw/zinc/65/60/03/1075656003.db2.gz FSGJVFYHRWDVNT-BLLLJJGKSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579698773 1075655954 /nfs/dbraw/zinc/65/59/54/1075655954.db2.gz FSGJVFYHRWDVNT-LRDDRELGSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579698774 1075655980 /nfs/dbraw/zinc/65/59/80/1075655980.db2.gz FSGJVFYHRWDVNT-MLGOLLRUSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579698775 1075656017 /nfs/dbraw/zinc/65/60/17/1075656017.db2.gz FSGJVFYHRWDVNT-WBMJQRKESA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579698914 1075655938 /nfs/dbraw/zinc/65/59/38/1075655938.db2.gz GMJUXWMWICJICX-BDJLRTHQSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579698915 1075655986 /nfs/dbraw/zinc/65/59/86/1075655986.db2.gz GMJUXWMWICJICX-BZNIZROVSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579698916 1075656015 /nfs/dbraw/zinc/65/60/15/1075656015.db2.gz GMJUXWMWICJICX-MEDUHNTESA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579698917 1075655967 /nfs/dbraw/zinc/65/59/67/1075655967.db2.gz GMJUXWMWICJICX-ZBEGNZNMSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@@H](O)C[NH+]1CCN(CCN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579699018 1075656393 /nfs/dbraw/zinc/65/63/93/1075656393.db2.gz HPYWJEFPFIFCHI-AWEZNQCLSA-N 1 0 392.464 -1.108 20 0 GAADRO COC[C@H](O)C[NH+]1CCN(CCN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579699022 1075656212 /nfs/dbraw/zinc/65/62/12/1075656212.db2.gz HPYWJEFPFIFCHI-CQSZACIVSA-N 1 0 392.464 -1.108 20 0 GAADRO COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579699112 1075656401 /nfs/dbraw/zinc/65/64/01/1075656401.db2.gz FADQXLBETJKMQE-GFCCVEGCSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579699114 1075656373 /nfs/dbraw/zinc/65/63/73/1075656373.db2.gz FADQXLBETJKMQE-LBPRGKRZSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@@H](O)C[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579699120 1075656283 /nfs/dbraw/zinc/65/62/83/1075656283.db2.gz FBZSJPQKJDINRV-AWEZNQCLSA-N 1 0 392.464 -1.014 20 0 GAADRO COC[C@H](O)C[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579699122 1075656259 /nfs/dbraw/zinc/65/62/59/1075656259.db2.gz FBZSJPQKJDINRV-CQSZACIVSA-N 1 0 392.464 -1.014 20 0 GAADRO COC[C@H](O)C[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579699237 1075656367 /nfs/dbraw/zinc/65/63/67/1075656367.db2.gz IWJHKMUNWFJRTK-CYBMUJFWSA-N 1 0 378.437 -1.451 20 0 GAADRO COC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579699240 1075656241 /nfs/dbraw/zinc/65/62/41/1075656241.db2.gz IWJHKMUNWFJRTK-ZDUSSCGKSA-N 1 0 378.437 -1.451 20 0 GAADRO COC[C@H](O)C[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579699512 1075656357 /nfs/dbraw/zinc/65/63/57/1075656357.db2.gz KLLGUARQMZZPLL-CYBMUJFWSA-N 1 0 378.437 -1.451 20 0 GAADRO COC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579699513 1075656329 /nfs/dbraw/zinc/65/63/29/1075656329.db2.gz KLLGUARQMZZPLL-ZDUSSCGKSA-N 1 0 378.437 -1.451 20 0 GAADRO COC[C@@H](O)C[NH2+]C1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579699740 1075656221 /nfs/dbraw/zinc/65/62/21/1075656221.db2.gz JQCYFSSPFNNPSP-AWEZNQCLSA-N 1 0 392.464 -1.014 20 0 GAADRO COC[C@H](O)C[NH2+]C1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579699741 1075656692 /nfs/dbraw/zinc/65/66/92/1075656692.db2.gz JQCYFSSPFNNPSP-CQSZACIVSA-N 1 0 392.464 -1.014 20 0 GAADRO COC[C@H](O)C[NH+]1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579699872 1075656587 /nfs/dbraw/zinc/65/65/87/1075656587.db2.gz NURHBAIRAITNCC-GFCCVEGCSA-N 1 0 378.437 -1.451 20 0 GAADRO COC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579699873 1075656666 /nfs/dbraw/zinc/65/66/66/1075656666.db2.gz NURHBAIRAITNCC-LBPRGKRZSA-N 1 0 378.437 -1.451 20 0 GAADRO COC[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579699892 1075656682 /nfs/dbraw/zinc/65/66/82/1075656682.db2.gz OBHNRHROYQVQMP-BLLLJJGKSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579699893 1075656700 /nfs/dbraw/zinc/65/67/00/1075656700.db2.gz OBHNRHROYQVQMP-LRDDRELGSA-N 1 0 379.421 -1.241 20 0 GAADRO COC[C@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579699894 1075656655 /nfs/dbraw/zinc/65/66/55/1075656655.db2.gz OBHNRHROYQVQMP-MLGOLLRUSA-N 1 0 379.421 -1.241 20 0 GAADRO 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JHVWKEBLSDGDNB-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)ncn1 ZINC001579902165 1075686117 /nfs/dbraw/zinc/68/61/17/1075686117.db2.gz JHVWKEBLSDGDNB-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)ncn1 ZINC001579902392 1075686027 /nfs/dbraw/zinc/68/60/27/1075686027.db2.gz KRFJQMMQRBNIIE-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)ncn1 ZINC001579902393 1075686014 /nfs/dbraw/zinc/68/60/14/1075686014.db2.gz KRFJQMMQRBNIIE-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)nn1C ZINC001579902573 1075686010 /nfs/dbraw/zinc/68/60/10/1075686010.db2.gz NQZZRBFZKUYIBY-JTQLQIEISA-N 1 0 387.404 -1.063 20 0 GAADRO COc1cc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)nn1C ZINC001579902575 1075685979 /nfs/dbraw/zinc/68/59/79/1075685979.db2.gz NQZZRBFZKUYIBY-SNVBAGLBSA-N 1 0 387.404 -1.063 20 0 GAADRO Cc1nnc(N2C[C@@H]3[C@@H]([NH3+])CS(=O)(=O)[C@@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001579902957 1075685967 /nfs/dbraw/zinc/68/59/67/1075685967.db2.gz MNBSPDKPHKBGCG-HZSPNIEDSA-N 1 0 398.489 -1.604 20 0 GAADRO Cc1nnc(N2C[C@H]3[C@H](C2)S(=O)(=O)C[C@H]3[NH3+])n1CCC(=O)N1CCOCC1 ZINC001579902958 1075686130 /nfs/dbraw/zinc/68/61/30/1075686130.db2.gz MNBSPDKPHKBGCG-MCIONIFRSA-N 1 0 398.489 -1.604 20 0 GAADRO Cc1nnc(N2C[C@@H]3[C@H]([NH3+])CS(=O)(=O)[C@@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001579902959 1075686621 /nfs/dbraw/zinc/68/66/21/1075686621.db2.gz MNBSPDKPHKBGCG-MGPQQGTHSA-N 1 0 398.489 -1.604 20 0 GAADRO Cc1nnc(N2C[C@@H]3[C@@H]([NH3+])CS(=O)(=O)[C@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001579902960 1075686462 /nfs/dbraw/zinc/68/64/62/1075686462.db2.gz MNBSPDKPHKBGCG-RDBSUJKOSA-N 1 0 398.489 -1.604 20 0 GAADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC[NH2+]C1CC1 ZINC001579907990 1075686493 /nfs/dbraw/zinc/68/64/93/1075686493.db2.gz FQXVRSLMHNCIAQ-UHFFFAOYSA-N 1 0 391.476 -1.154 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001579955594 1075687338 /nfs/dbraw/zinc/68/73/38/1075687338.db2.gz BUKQREJWNUZWSF-GFCCVEGCSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001579955596 1075687250 /nfs/dbraw/zinc/68/72/50/1075687250.db2.gz BUKQREJWNUZWSF-LBPRGKRZSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001579955949 1075687111 /nfs/dbraw/zinc/68/71/11/1075687111.db2.gz DJBVQSQOGSMPFR-HZMBPMFUSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001579955950 1075687178 /nfs/dbraw/zinc/68/71/78/1075687178.db2.gz DJBVQSQOGSMPFR-IINYFYTJSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001579955951 1075687377 /nfs/dbraw/zinc/68/73/77/1075687377.db2.gz DJBVQSQOGSMPFR-QMTHXVAHSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001579955952 1075687258 /nfs/dbraw/zinc/68/72/58/1075687258.db2.gz DJBVQSQOGSMPFR-YGRLFVJLSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001579956634 1075687631 /nfs/dbraw/zinc/68/76/31/1075687631.db2.gz KMXMSHXZCVNNIP-NEPJUHHUSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001579956635 1075687616 /nfs/dbraw/zinc/68/76/16/1075687616.db2.gz KMXMSHXZCVNNIP-NWDGAFQWSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001579956636 1075687654 /nfs/dbraw/zinc/68/76/54/1075687654.db2.gz KMXMSHXZCVNNIP-RYUDHWBXSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001579956637 1075687601 /nfs/dbraw/zinc/68/76/01/1075687601.db2.gz KMXMSHXZCVNNIP-VXGBXAGGSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001579956650 1075687666 /nfs/dbraw/zinc/68/76/66/1075687666.db2.gz LFOUTBUFVNXJGL-GFCCVEGCSA-N 1 0 387.404 -1.197 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001579956651 1075687711 /nfs/dbraw/zinc/68/77/11/1075687711.db2.gz LFOUTBUFVNXJGL-LBPRGKRZSA-N 1 0 387.404 -1.197 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)Cn1cncn1 ZINC001579956655 1075687608 /nfs/dbraw/zinc/68/76/08/1075687608.db2.gz LGNGNVHAZIVNDW-CYBMUJFWSA-N 1 0 387.404 -1.266 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)Cn1cncn1 ZINC001579956656 1075687635 /nfs/dbraw/zinc/68/76/35/1075687635.db2.gz LGNGNVHAZIVNDW-ZDUSSCGKSA-N 1 0 387.404 -1.266 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001579956748 1075687660 /nfs/dbraw/zinc/68/76/60/1075687660.db2.gz NGAXUQAAEPHYMS-DZGCQCFKSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001579956750 1075687692 /nfs/dbraw/zinc/68/76/92/1075687692.db2.gz NGAXUQAAEPHYMS-HIFRSBDPSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001579956752 1075687680 /nfs/dbraw/zinc/68/76/80/1075687680.db2.gz NGAXUQAAEPHYMS-UKRRQHHQSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001579956754 1075687640 /nfs/dbraw/zinc/68/76/40/1075687640.db2.gz NGAXUQAAEPHYMS-ZFWWWQNUSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001579956816 1075687623 /nfs/dbraw/zinc/68/76/23/1075687623.db2.gz ONYOABLIJLWLQP-LLVKDONJSA-N 1 0 388.392 -1.721 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001579956818 1075687648 /nfs/dbraw/zinc/68/76/48/1075687648.db2.gz ONYOABLIJLWLQP-NSHDSACASA-N 1 0 388.392 -1.721 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)CN(C)C(C)=O ZINC001579957073 1075687673 /nfs/dbraw/zinc/68/76/73/1075687673.db2.gz RNTNQTZUNITPIX-AWEZNQCLSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)CN(C)C(C)=O ZINC001579957075 1075687719 /nfs/dbraw/zinc/68/77/19/1075687719.db2.gz RNTNQTZUNITPIX-CQSZACIVSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001579957383 1075687703 /nfs/dbraw/zinc/68/77/03/1075687703.db2.gz VOBWLKRUFABFGG-GFCCVEGCSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001579957384 1075687687 /nfs/dbraw/zinc/68/76/87/1075687687.db2.gz VOBWLKRUFABFGG-LBPRGKRZSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O ZINC001579957396 1075687595 /nfs/dbraw/zinc/68/75/95/1075687595.db2.gz VVXSGWHZYPCPBF-CYBMUJFWSA-N 1 0 377.405 -1.422 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)CNC(C)=O ZINC001579957397 1075687698 /nfs/dbraw/zinc/68/76/98/1075687698.db2.gz VVXSGWHZYPCPBF-ZDUSSCGKSA-N 1 0 377.405 -1.422 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001579957432 1075688019 /nfs/dbraw/zinc/68/80/19/1075688019.db2.gz XBDCIIRVCDNPKF-UPJWGTAASA-N 1 0 389.416 -1.437 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001579957433 1075688070 /nfs/dbraw/zinc/68/80/70/1075688070.db2.gz XBDCIIRVCDNPKF-XQQFMLRXSA-N 1 0 389.416 -1.437 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001579957451 1075687961 /nfs/dbraw/zinc/68/79/61/1075687961.db2.gz XNMAKJZXVTXHPR-GFCCVEGCSA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)Cn1ncnn1 ZINC001579957452 1075688041 /nfs/dbraw/zinc/68/80/41/1075688041.db2.gz XNMAKJZXVTXHPR-LBPRGKRZSA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001579957613 1075688095 /nfs/dbraw/zinc/68/80/95/1075688095.db2.gz ZERPDHQTMCFPSZ-GFCCVEGCSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001579957614 1075687970 /nfs/dbraw/zinc/68/79/70/1075687970.db2.gz ZERPDHQTMCFPSZ-LBPRGKRZSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001579957626 1075688080 /nfs/dbraw/zinc/68/80/80/1075688080.db2.gz ZQZOMSSAXGMAIX-OLZOCXBDSA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001579957627 1075688053 /nfs/dbraw/zinc/68/80/53/1075688053.db2.gz ZQZOMSSAXGMAIX-STQMWFEESA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001579957643 1075688028 /nfs/dbraw/zinc/68/80/28/1075688028.db2.gz ZYHSTIREFOQDGZ-GFCCVEGCSA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)Cn1cnnn1 ZINC001579957644 1075688062 /nfs/dbraw/zinc/68/80/62/1075688062.db2.gz ZYHSTIREFOQDGZ-LBPRGKRZSA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001579960712 1075688093 /nfs/dbraw/zinc/68/80/93/1075688093.db2.gz GELWHYZVXDYFFE-GFCCVEGCSA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)Cn1cnnn1 ZINC001579960713 1075688092 /nfs/dbraw/zinc/68/80/92/1075688092.db2.gz GELWHYZVXDYFFE-LBPRGKRZSA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001579960820 1075688001 /nfs/dbraw/zinc/68/80/01/1075688001.db2.gz IRKOLDCASMBWQE-CHWSQXEVSA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001579960821 1075688091 /nfs/dbraw/zinc/68/80/91/1075688091.db2.gz IRKOLDCASMBWQE-OLZOCXBDSA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001579960822 1075687982 /nfs/dbraw/zinc/68/79/82/1075687982.db2.gz IRKOLDCASMBWQE-QWHCGFSZSA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001579960823 1075688088 /nfs/dbraw/zinc/68/80/88/1075688088.db2.gz IRKOLDCASMBWQE-STQMWFEESA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001579961104 1075688085 /nfs/dbraw/zinc/68/80/85/1075688085.db2.gz NRJUSZXSGYNMQV-NEPJUHHUSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001579961106 1075688014 /nfs/dbraw/zinc/68/80/14/1075688014.db2.gz NRJUSZXSGYNMQV-NWDGAFQWSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001579961108 1075688007 /nfs/dbraw/zinc/68/80/07/1075688007.db2.gz NRJUSZXSGYNMQV-RYUDHWBXSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001579961109 1075687992 /nfs/dbraw/zinc/68/79/92/1075687992.db2.gz NRJUSZXSGYNMQV-VXGBXAGGSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)=O ZINC001579961144 1075688294 /nfs/dbraw/zinc/68/82/94/1075688294.db2.gz NXCAQBXYQKFFOI-AWEZNQCLSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001579961146 1075688370 /nfs/dbraw/zinc/68/83/70/1075688370.db2.gz NXCAQBXYQKFFOI-CQSZACIVSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001579961353 1075688368 /nfs/dbraw/zinc/68/83/68/1075688368.db2.gz PUMHIXHQNDCFNC-AWEZNQCLSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001579961354 1075688323 /nfs/dbraw/zinc/68/83/23/1075688323.db2.gz PUMHIXHQNDCFNC-CQSZACIVSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O ZINC001579961407 1075688316 /nfs/dbraw/zinc/68/83/16/1075688316.db2.gz QMWBSTYANBPDGT-CYBMUJFWSA-N 1 0 377.405 -1.422 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)CNC(C)=O ZINC001579961408 1075688288 /nfs/dbraw/zinc/68/82/88/1075688288.db2.gz QMWBSTYANBPDGT-ZDUSSCGKSA-N 1 0 377.405 -1.422 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001579961648 1075688376 /nfs/dbraw/zinc/68/83/76/1075688376.db2.gz UUDJRJYRTMCXTG-DZGCQCFKSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001579961649 1075688299 /nfs/dbraw/zinc/68/82/99/1075688299.db2.gz UUDJRJYRTMCXTG-HIFRSBDPSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001579961650 1075688308 /nfs/dbraw/zinc/68/83/08/1075688308.db2.gz UUDJRJYRTMCXTG-UKRRQHHQSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001579961651 1075688364 /nfs/dbraw/zinc/68/83/64/1075688364.db2.gz UUDJRJYRTMCXTG-ZFWWWQNUSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001579961652 1075688326 /nfs/dbraw/zinc/68/83/26/1075688326.db2.gz UWBPSWKWUXZFDG-NEPJUHHUSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001579961653 1075688313 /nfs/dbraw/zinc/68/83/13/1075688313.db2.gz UWBPSWKWUXZFDG-NWDGAFQWSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001579961654 1075688357 /nfs/dbraw/zinc/68/83/57/1075688357.db2.gz UWBPSWKWUXZFDG-RYUDHWBXSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001579961655 1075688374 /nfs/dbraw/zinc/68/83/74/1075688374.db2.gz UWBPSWKWUXZFDG-VXGBXAGGSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001579961770 1075688303 /nfs/dbraw/zinc/68/83/03/1075688303.db2.gz VAXISCTZBDSKDF-UPJWGTAASA-N 1 0 389.416 -1.437 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001579961771 1075688330 /nfs/dbraw/zinc/68/83/30/1075688330.db2.gz VAXISCTZBDSKDF-XQQFMLRXSA-N 1 0 389.416 -1.437 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001579961776 1075688351 /nfs/dbraw/zinc/68/83/51/1075688351.db2.gz VCRCBTRJBHDOOO-HZMBPMFUSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001579961777 1075688348 /nfs/dbraw/zinc/68/83/48/1075688348.db2.gz VCRCBTRJBHDOOO-IINYFYTJSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001579961778 1075688340 /nfs/dbraw/zinc/68/83/40/1075688340.db2.gz VCRCBTRJBHDOOO-QMTHXVAHSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001579961779 1075688334 /nfs/dbraw/zinc/68/83/34/1075688334.db2.gz VCRCBTRJBHDOOO-YGRLFVJLSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cncn1 ZINC001579961836 1075688699 /nfs/dbraw/zinc/68/86/99/1075688699.db2.gz WEWIPYUTEYKRHA-CYBMUJFWSA-N 1 0 387.404 -1.266 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)Cn1cncn1 ZINC001579961837 1075688650 /nfs/dbraw/zinc/68/86/50/1075688650.db2.gz WEWIPYUTEYKRHA-ZDUSSCGKSA-N 1 0 387.404 -1.266 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001579962108 1075688674 /nfs/dbraw/zinc/68/86/74/1075688674.db2.gz BIHCYVHGKNIAMV-LLVKDONJSA-N 1 0 388.392 -1.721 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001579962109 1075688622 /nfs/dbraw/zinc/68/86/22/1075688622.db2.gz BIHCYVHGKNIAMV-NSHDSACASA-N 1 0 388.392 -1.721 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001579962162 1075688656 /nfs/dbraw/zinc/68/86/56/1075688656.db2.gz YQKXMHLVIZQEDA-GFCCVEGCSA-N 1 0 387.404 -1.197 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001579962163 1075688591 /nfs/dbraw/zinc/68/85/91/1075688591.db2.gz YQKXMHLVIZQEDA-LBPRGKRZSA-N 1 0 387.404 -1.197 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001579962306 1075688678 /nfs/dbraw/zinc/68/86/78/1075688678.db2.gz GAILORIIERBOBN-GFCCVEGCSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001579962307 1075688646 /nfs/dbraw/zinc/68/86/46/1075688646.db2.gz GAILORIIERBOBN-LBPRGKRZSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001579962534 1075688614 /nfs/dbraw/zinc/68/86/14/1075688614.db2.gz MDZXZYVGABKOAU-GFCCVEGCSA-N 1 0 375.389 -1.322 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001579962535 1075688671 /nfs/dbraw/zinc/68/86/71/1075688671.db2.gz MDZXZYVGABKOAU-LBPRGKRZSA-N 1 0 375.389 -1.322 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001579962740 1075688682 /nfs/dbraw/zinc/68/86/82/1075688682.db2.gz SCJKCGSVMSQXLE-UHFFFAOYSA-N 1 0 388.432 -1.487 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001579963023 1075688643 /nfs/dbraw/zinc/68/86/43/1075688643.db2.gz YZFYNRFBGOSWBI-GFCCVEGCSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001579963024 1075688654 /nfs/dbraw/zinc/68/86/54/1075688654.db2.gz YZFYNRFBGOSWBI-LBPRGKRZSA-N 1 0 387.404 -1.116 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)NC[C@]34COCCN3C(=O)COC4)C[C@H]2[NH3+])cn1 ZINC001579968111 1075688662 /nfs/dbraw/zinc/68/86/62/1075688662.db2.gz RDLISYMYKKIUKX-JJRVBVJISA-N 1 0 378.433 -1.516 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)NC[C@@]34COCCN3C(=O)COC4)C[C@H]2[NH3+])cn1 ZINC001579968112 1075688716 /nfs/dbraw/zinc/68/87/16/1075688716.db2.gz RDLISYMYKKIUKX-VBQJREDUSA-N 1 0 378.433 -1.516 20 0 GAADRO COc1ccc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)nn1 ZINC001579980192 1075688987 /nfs/dbraw/zinc/68/89/87/1075688987.db2.gz RSJGHTWPIRNZJL-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1ccc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)nn1 ZINC001579980193 1075689018 /nfs/dbraw/zinc/68/90/18/1075689018.db2.gz RSJGHTWPIRNZJL-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1ccc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)nn1 ZINC001579983541 1075689010 /nfs/dbraw/zinc/68/90/10/1075689010.db2.gz JXWXXEUENSUCKI-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1ccc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)nn1 ZINC001579983542 1075688888 /nfs/dbraw/zinc/68/88/88/1075688888.db2.gz JXWXXEUENSUCKI-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COC(=O)N2)cc1-c1nn[nH]n1 ZINC001580015641 1075689384 /nfs/dbraw/zinc/68/93/84/1075689384.db2.gz ADQWWNBQXQEXEP-CMPLNLGQSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)cc1-c1nn[nH]n1 ZINC001580015644 1075689334 /nfs/dbraw/zinc/68/93/34/1075689334.db2.gz ADQWWNBQXQEXEP-JQWIXIFHSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)cc1-c1nn[nH]n1 ZINC001580015648 1075689340 /nfs/dbraw/zinc/68/93/40/1075689340.db2.gz ADQWWNBQXQEXEP-PWSUYJOCSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)cc1-c1nn[nH]n1 ZINC001580015649 1075689682 /nfs/dbraw/zinc/68/96/82/1075689682.db2.gz ADQWWNBQXQEXEP-ZYHUDNBSSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)cc1-c1nn[nH]n1 ZINC001580015774 1075689686 /nfs/dbraw/zinc/68/96/86/1075689686.db2.gz ATVBKHMYZRBGLP-LLVKDONJSA-N 1 0 387.404 -1.197 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)cc1-c1nn[nH]n1 ZINC001580015775 1075689653 /nfs/dbraw/zinc/68/96/53/1075689653.db2.gz ATVBKHMYZRBGLP-NSHDSACASA-N 1 0 387.404 -1.197 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)cc1-c1nn[nH]n1 ZINC001580016101 1075689663 /nfs/dbraw/zinc/68/96/63/1075689663.db2.gz DWHVWTXMRKATAG-LLVKDONJSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)cc1-c1nn[nH]n1 ZINC001580016102 1075689676 /nfs/dbraw/zinc/68/96/76/1075689676.db2.gz DWHVWTXMRKATAG-NSHDSACASA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(C)=O)cc1-c1nn[nH]n1 ZINC001580016385 1075689675 /nfs/dbraw/zinc/68/96/75/1075689675.db2.gz FZGHCYCPBRZKHL-GWCFXTLKSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(C)=O)cc1-c1nn[nH]n1 ZINC001580016386 1075689669 /nfs/dbraw/zinc/68/96/69/1075689669.db2.gz FZGHCYCPBRZKHL-GXFFZTMASA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)NC(C)=O)cc1-c1nn[nH]n1 ZINC001580016387 1075689672 /nfs/dbraw/zinc/68/96/72/1075689672.db2.gz FZGHCYCPBRZKHL-MFKMUULPSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O)cc1-c1nn[nH]n1 ZINC001580016388 1075689671 /nfs/dbraw/zinc/68/96/71/1075689671.db2.gz FZGHCYCPBRZKHL-ZWNOBZJWSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COCCO2)cc1-c1nn[nH]n1 ZINC001580016411 1075689652 /nfs/dbraw/zinc/68/96/52/1075689652.db2.gz GMYZYRLSXYRNKC-DOMZBBRYSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COCCO2)cc1-c1nn[nH]n1 ZINC001580016412 1075689662 /nfs/dbraw/zinc/68/96/62/1075689662.db2.gz GMYZYRLSXYRNKC-IUODEOHRSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COCCO2)cc1-c1nn[nH]n1 ZINC001580016413 1075689647 /nfs/dbraw/zinc/68/96/47/1075689647.db2.gz GMYZYRLSXYRNKC-SWLSCSKDSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COCCO2)cc1-c1nn[nH]n1 ZINC001580016414 1075689650 /nfs/dbraw/zinc/68/96/50/1075689650.db2.gz GMYZYRLSXYRNKC-WFASDCNBSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cc1-c1nn[nH]n1 ZINC001580016415 1075689678 /nfs/dbraw/zinc/68/96/78/1075689678.db2.gz GNAZROCYVRPSMV-AAEUAGOBSA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cc1-c1nn[nH]n1 ZINC001580016416 1075689673 /nfs/dbraw/zinc/68/96/73/1075689673.db2.gz GNAZROCYVRPSMV-DGCLKSJQSA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cc1-c1nn[nH]n1 ZINC001580016417 1075689657 /nfs/dbraw/zinc/68/96/57/1075689657.db2.gz GNAZROCYVRPSMV-WCQYABFASA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cc1-c1nn[nH]n1 ZINC001580016418 1075689666 /nfs/dbraw/zinc/68/96/66/1075689666.db2.gz GNAZROCYVRPSMV-YPMHNXCESA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)cc1-c1nn[nH]n1 ZINC001580016421 1075689668 /nfs/dbraw/zinc/68/96/68/1075689668.db2.gz GNXNEYAYEGCIGA-LLVKDONJSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)cc1-c1nn[nH]n1 ZINC001580016422 1075689684 /nfs/dbraw/zinc/68/96/84/1075689684.db2.gz GNXNEYAYEGCIGA-NSHDSACASA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)cc1-c1nn[nH]n1 ZINC001580016669 1075689660 /nfs/dbraw/zinc/68/96/60/1075689660.db2.gz JTFOLIOCGUPPEG-CMPLNLGQSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)cc1-c1nn[nH]n1 ZINC001580016670 1075690016 /nfs/dbraw/zinc/69/00/16/1075690016.db2.gz JTFOLIOCGUPPEG-JQWIXIFHSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)cc1-c1nn[nH]n1 ZINC001580016671 1075689937 /nfs/dbraw/zinc/68/99/37/1075689937.db2.gz JTFOLIOCGUPPEG-PWSUYJOCSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)cc1-c1nn[nH]n1 ZINC001580016672 1075689914 /nfs/dbraw/zinc/68/99/14/1075689914.db2.gz JTFOLIOCGUPPEG-ZYHUDNBSSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)cc1-c1nn[nH]n1 ZINC001580016987 1075689988 /nfs/dbraw/zinc/68/99/88/1075689988.db2.gz OJKCBFXTPFFDOJ-LLVKDONJSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)cc1-c1nn[nH]n1 ZINC001580016988 1075689886 /nfs/dbraw/zinc/68/98/86/1075689886.db2.gz OJKCBFXTPFFDOJ-NSHDSACASA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)cc1-c1nn[nH]n1 ZINC001580017191 1075689970 /nfs/dbraw/zinc/68/99/70/1075689970.db2.gz QNIIIWPJCJEIFG-LLVKDONJSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)cc1-c1nn[nH]n1 ZINC001580017193 1075689983 /nfs/dbraw/zinc/68/99/83/1075689983.db2.gz QNIIIWPJCJEIFG-NSHDSACASA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC001580017382 1075689892 /nfs/dbraw/zinc/68/98/92/1075689892.db2.gz RPCIVPVOSAMKEU-TUAOUCFPSA-N 1 0 389.416 -1.437 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC001580017383 1075689977 /nfs/dbraw/zinc/68/99/77/1075689977.db2.gz RPCIVPVOSAMKEU-UTUOFQBUSA-N 1 0 389.416 -1.437 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O)cc1-c1nn[nH]n1 ZINC001580017664 1075690011 /nfs/dbraw/zinc/69/00/11/1075690011.db2.gz WFOHACRXRNENTO-GFCCVEGCSA-N 1 0 377.405 -1.422 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)CNC(C)=O)cc1-c1nn[nH]n1 ZINC001580017666 1075689996 /nfs/dbraw/zinc/68/99/96/1075689996.db2.gz WFOHACRXRNENTO-LBPRGKRZSA-N 1 0 377.405 -1.422 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)cc1-c1nn[nH]n1 ZINC001580017691 1075690020 /nfs/dbraw/zinc/69/00/20/1075690020.db2.gz WIQRAVQSZZTWFJ-JTQLQIEISA-N 1 0 388.392 -1.721 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)cc1-c1nn[nH]n1 ZINC001580017693 1075689991 /nfs/dbraw/zinc/68/99/91/1075689991.db2.gz WIQRAVQSZZTWFJ-SNVBAGLBSA-N 1 0 388.392 -1.721 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)CN(C)C(C)=O)cc1-c1nn[nH]n1 ZINC001580017831 1075690005 /nfs/dbraw/zinc/69/00/05/1075690005.db2.gz YFAFQBVJIVEFQZ-CYBMUJFWSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)CN(C)C(C)=O)cc1-c1nn[nH]n1 ZINC001580017832 1075690028 /nfs/dbraw/zinc/69/00/28/1075690028.db2.gz YFAFQBVJIVEFQZ-ZDUSSCGKSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)cc1-c1nn[nH]n1 ZINC001580017839 1075690024 /nfs/dbraw/zinc/69/00/24/1075690024.db2.gz YJGNXCKOEZCORQ-LLVKDONJSA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)cc1-c1nn[nH]n1 ZINC001580017840 1075689908 /nfs/dbraw/zinc/68/99/08/1075689908.db2.gz YJGNXCKOEZCORQ-NSHDSACASA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cnnn2)cc1-c1nn[nH]n1 ZINC001580021275 1075689942 /nfs/dbraw/zinc/68/99/42/1075689942.db2.gz ALODFNRBRBBWDB-LLVKDONJSA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cnnn2)cc1-c1nn[nH]n1 ZINC001580021276 1075689958 /nfs/dbraw/zinc/68/99/58/1075689958.db2.gz ALODFNRBRBBWDB-NSHDSACASA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc1-c1nn[nH]n1 ZINC001580021586 1075689920 /nfs/dbraw/zinc/68/99/20/1075689920.db2.gz DRHMVJLGNLMMKK-CMPLNLGQSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc1-c1nn[nH]n1 ZINC001580021587 1075690213 /nfs/dbraw/zinc/69/02/13/1075690213.db2.gz DRHMVJLGNLMMKK-JQWIXIFHSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc1-c1nn[nH]n1 ZINC001580021588 1075690191 /nfs/dbraw/zinc/69/01/91/1075690191.db2.gz DRHMVJLGNLMMKK-PWSUYJOCSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc1-c1nn[nH]n1 ZINC001580021589 1075690182 /nfs/dbraw/zinc/69/01/82/1075690182.db2.gz DRHMVJLGNLMMKK-ZYHUDNBSSA-N 1 0 390.404 -1.877 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)cc1-c1nn[nH]n1 ZINC001580021629 1075690314 /nfs/dbraw/zinc/69/03/14/1075690314.db2.gz FUPKPAPWFWJUOF-LLVKDONJSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)cc1-c1nn[nH]n1 ZINC001580021630 1075690256 /nfs/dbraw/zinc/69/02/56/1075690256.db2.gz FUPKPAPWFWJUOF-NSHDSACASA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)cc1-c1nn[nH]n1 ZINC001580021829 1075690275 /nfs/dbraw/zinc/69/02/75/1075690275.db2.gz GQRIMQHIFSAACL-GFCCVEGCSA-N 1 0 387.404 -1.266 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)cc1-c1nn[nH]n1 ZINC001580021831 1075690152 /nfs/dbraw/zinc/69/01/52/1075690152.db2.gz GQRIMQHIFSAACL-LBPRGKRZSA-N 1 0 387.404 -1.266 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)cc1-c1nn[nH]n1 ZINC001580021924 1075690300 /nfs/dbraw/zinc/69/03/00/1075690300.db2.gz IDSMCFOAPZDFBV-LLVKDONJSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)cc1-c1nn[nH]n1 ZINC001580021925 1075690329 /nfs/dbraw/zinc/69/03/29/1075690329.db2.gz IDSMCFOAPZDFBV-NSHDSACASA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O)cc1-c1nn[nH]n1 ZINC001580022065 1075690239 /nfs/dbraw/zinc/69/02/39/1075690239.db2.gz JBWKJAVPZQIIJR-CYBMUJFWSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)CNC(C)=O)cc1-c1nn[nH]n1 ZINC001580022066 1075690147 /nfs/dbraw/zinc/69/01/47/1075690147.db2.gz JBWKJAVPZQIIJR-ZDUSSCGKSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O)cc1-c1nn[nH]n1 ZINC001580022162 1075690159 /nfs/dbraw/zinc/69/01/59/1075690159.db2.gz KJQFPMUFAFNFBS-GFCCVEGCSA-N 1 0 377.405 -1.422 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)CNC(C)=O)cc1-c1nn[nH]n1 ZINC001580022164 1075690168 /nfs/dbraw/zinc/69/01/68/1075690168.db2.gz KJQFPMUFAFNFBS-LBPRGKRZSA-N 1 0 377.405 -1.422 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1-c1nn[nH]n1 ZINC001580022313 1075690140 /nfs/dbraw/zinc/69/01/40/1075690140.db2.gz MJUGUJGSYCACCU-CMPLNLGQSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc1-c1nn[nH]n1 ZINC001580022314 1075690202 /nfs/dbraw/zinc/69/02/02/1075690202.db2.gz MJUGUJGSYCACCU-JQWIXIFHSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc1-c1nn[nH]n1 ZINC001580022315 1075690345 /nfs/dbraw/zinc/69/03/45/1075690345.db2.gz MJUGUJGSYCACCU-PWSUYJOCSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1-c1nn[nH]n1 ZINC001580022317 1075690337 /nfs/dbraw/zinc/69/03/37/1075690337.db2.gz MJUGUJGSYCACCU-ZYHUDNBSSA-N 1 0 391.388 -1.450 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(C)=O)cc1-c1nn[nH]n1 ZINC001580022486 1075690226 /nfs/dbraw/zinc/69/02/26/1075690226.db2.gz OMKUXRRGBCJAFA-GWCFXTLKSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(C)=O)cc1-c1nn[nH]n1 ZINC001580022487 1075690175 /nfs/dbraw/zinc/69/01/75/1075690175.db2.gz OMKUXRRGBCJAFA-GXFFZTMASA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(C)=O)cc1-c1nn[nH]n1 ZINC001580022488 1075690288 /nfs/dbraw/zinc/69/02/88/1075690288.db2.gz OMKUXRRGBCJAFA-MFKMUULPSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O)cc1-c1nn[nH]n1 ZINC001580022489 1075690631 /nfs/dbraw/zinc/69/06/31/1075690631.db2.gz OMKUXRRGBCJAFA-ZWNOBZJWSA-N 1 0 391.432 -1.033 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)cc1-c1nn[nH]n1 ZINC001580022701 1075690589 /nfs/dbraw/zinc/69/05/89/1075690589.db2.gz RBTVZXDYGXDVAD-LLVKDONJSA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)cc1-c1nn[nH]n1 ZINC001580022702 1075690597 /nfs/dbraw/zinc/69/05/97/1075690597.db2.gz RBTVZXDYGXDVAD-NSHDSACASA-N 1 0 388.392 -1.871 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc1-c1nn[nH]n1 ZINC001580022746 1075690640 /nfs/dbraw/zinc/69/06/40/1075690640.db2.gz ROXVYUILZQBGKH-AAEUAGOBSA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc1-c1nn[nH]n1 ZINC001580022748 1075690603 /nfs/dbraw/zinc/69/06/03/1075690603.db2.gz ROXVYUILZQBGKH-DGCLKSJQSA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc1-c1nn[nH]n1 ZINC001580022750 1075690665 /nfs/dbraw/zinc/69/06/65/1075690665.db2.gz ROXVYUILZQBGKH-WCQYABFASA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc1-c1nn[nH]n1 ZINC001580022752 1075690655 /nfs/dbraw/zinc/69/06/55/1075690655.db2.gz ROXVYUILZQBGKH-YPMHNXCESA-N 1 0 389.416 -1.279 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)cc1-c1nn[nH]n1 ZINC001580022980 1075690646 /nfs/dbraw/zinc/69/06/46/1075690646.db2.gz UOPRMYMGIUAVOR-LLVKDONJSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)cc1-c1nn[nH]n1 ZINC001580022981 1075690584 /nfs/dbraw/zinc/69/05/84/1075690584.db2.gz UOPRMYMGIUAVOR-NSHDSACASA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)cc1-c1nn[nH]n1 ZINC001580023016 1075690626 /nfs/dbraw/zinc/69/06/26/1075690626.db2.gz VAWTYASEALDRPZ-JTQLQIEISA-N 1 0 388.392 -1.721 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)cc1-c1nn[nH]n1 ZINC001580023017 1075690621 /nfs/dbraw/zinc/69/06/21/1075690621.db2.gz VAWTYASEALDRPZ-SNVBAGLBSA-N 1 0 388.392 -1.721 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)cc1-c1nn[nH]n1 ZINC001580023034 1075690676 /nfs/dbraw/zinc/69/06/76/1075690676.db2.gz VMYBVBYWHKJXOV-LLVKDONJSA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)cc1-c1nn[nH]n1 ZINC001580023035 1075690569 /nfs/dbraw/zinc/69/05/69/1075690569.db2.gz VMYBVBYWHKJXOV-NSHDSACASA-N 1 0 387.404 -1.116 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COCCO2)cc1-c1nn[nH]n1 ZINC001580023046 1075690576 /nfs/dbraw/zinc/69/05/76/1075690576.db2.gz VSSUSTPNTXVJRW-DOMZBBRYSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COCCO2)cc1-c1nn[nH]n1 ZINC001580023047 1075690635 /nfs/dbraw/zinc/69/06/35/1075690635.db2.gz VSSUSTPNTXVJRW-IUODEOHRSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COCCO2)cc1-c1nn[nH]n1 ZINC001580023048 1075690670 /nfs/dbraw/zinc/69/06/70/1075690670.db2.gz VSSUSTPNTXVJRW-SWLSCSKDSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COCCO2)cc1-c1nn[nH]n1 ZINC001580023049 1075690609 /nfs/dbraw/zinc/69/06/09/1075690609.db2.gz VSSUSTPNTXVJRW-WFASDCNBSA-N 1 0 392.416 -1.143 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC001580023093 1075690617 /nfs/dbraw/zinc/69/06/17/1075690617.db2.gz WWQHENJSRWXLMN-TUAOUCFPSA-N 1 0 389.416 -1.437 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC001580023094 1075690660 /nfs/dbraw/zinc/69/06/60/1075690660.db2.gz WWQHENJSRWXLMN-UTUOFQBUSA-N 1 0 389.416 -1.437 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O)cc1-c1nn[nH]n1 ZINC001580023135 1075690649 /nfs/dbraw/zinc/69/06/49/1075690649.db2.gz XTDIJIMOJJZXNN-CYBMUJFWSA-N 1 0 391.432 -1.080 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)=O)cc1-c1nn[nH]n1 ZINC001580023136 1075691084 /nfs/dbraw/zinc/69/10/84/1075691084.db2.gz XTDIJIMOJJZXNN-ZDUSSCGKSA-N 1 0 391.432 -1.080 20 0 GAADRO NC(=O)[C@H]1CCN(c2nnc(C3CC[NH2+]CC3)n2CC(=O)N2CCOCC2)C1 ZINC001580089842 1075691080 /nfs/dbraw/zinc/69/10/80/1075691080.db2.gz WSACKFLMLSULSF-AWEZNQCLSA-N 1 0 391.476 -1.085 20 0 GAADRO NC(=O)[C@@H]1CCN(c2nnc(C3CC[NH2+]CC3)n2CC(=O)N2CCOCC2)C1 ZINC001580089843 1075691089 /nfs/dbraw/zinc/69/10/89/1075691089.db2.gz WSACKFLMLSULSF-CQSZACIVSA-N 1 0 391.476 -1.085 20 0 GAADRO COc1cnc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)nc1 ZINC001580106081 1075691313 /nfs/dbraw/zinc/69/13/13/1075691313.db2.gz SHJODLNZNHAUPS-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cnc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)nc1 ZINC001580106082 1075691455 /nfs/dbraw/zinc/69/14/55/1075691455.db2.gz SHJODLNZNHAUPS-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cnc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)nc1 ZINC001580106229 1075691459 /nfs/dbraw/zinc/69/14/59/1075691459.db2.gz YODCGADTNMMNKJ-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cnc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)nc1 ZINC001580106230 1075691488 /nfs/dbraw/zinc/69/14/88/1075691488.db2.gz YODCGADTNMMNKJ-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cncc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)n1 ZINC001580109193 1075691482 /nfs/dbraw/zinc/69/14/82/1075691482.db2.gz GBDATRBBMCAZMW-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cncc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)n1 ZINC001580109194 1075691703 /nfs/dbraw/zinc/69/17/03/1075691703.db2.gz GBDATRBBMCAZMW-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cncc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)n1 ZINC001580109653 1075691590 /nfs/dbraw/zinc/69/15/90/1075691590.db2.gz LMYQAQDBTUSRIZ-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1cncc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)n1 ZINC001580109654 1075691752 /nfs/dbraw/zinc/69/17/52/1075691752.db2.gz LMYQAQDBTUSRIZ-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1coc(C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)cc1=O ZINC001580114172 1075692125 /nfs/dbraw/zinc/69/21/25/1075692125.db2.gz AAZSAKZZMARDRA-SECBINFHSA-N 1 0 387.356 -1.152 20 0 GAADRO COc1coc(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)cc1=O ZINC001580114173 1075692187 /nfs/dbraw/zinc/69/21/87/1075692187.db2.gz AAZSAKZZMARDRA-VIFPVBQESA-N 1 0 387.356 -1.152 20 0 GAADRO COc1coc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)cc1=O ZINC001580114619 1075692143 /nfs/dbraw/zinc/69/21/43/1075692143.db2.gz VOTSMCJEUYMPQX-SECBINFHSA-N 1 0 387.356 -1.152 20 0 GAADRO COc1coc(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)cc1=O ZINC001580114620 1075692069 /nfs/dbraw/zinc/69/20/69/1075692069.db2.gz VOTSMCJEUYMPQX-VIFPVBQESA-N 1 0 387.356 -1.152 20 0 GAADRO COc1ncc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)cn1 ZINC001580129579 1075692571 /nfs/dbraw/zinc/69/25/71/1075692571.db2.gz XPIWHQLHDTUYAH-LLVKDONJSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1ncc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)cn1 ZINC001580129580 1075692512 /nfs/dbraw/zinc/69/25/12/1075692512.db2.gz XPIWHQLHDTUYAH-NSHDSACASA-N 1 0 385.388 -1.007 20 0 GAADRO COc1nccc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)n1 ZINC001580142702 1075692567 /nfs/dbraw/zinc/69/25/67/1075692567.db2.gz PDJHQEFSHKOFDI-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1nccc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)n1 ZINC001580142703 1075692560 /nfs/dbraw/zinc/69/25/60/1075692560.db2.gz PDJHQEFSHKOFDI-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1nccc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)n1 ZINC001580142723 1075692548 /nfs/dbraw/zinc/69/25/48/1075692548.db2.gz PYQVJIAXEDNIKD-JTQLQIEISA-N 1 0 385.388 -1.007 20 0 GAADRO COc1nccc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)n1 ZINC001580142724 1075692524 /nfs/dbraw/zinc/69/25/24/1075692524.db2.gz PYQVJIAXEDNIKD-SNVBAGLBSA-N 1 0 385.388 -1.007 20 0 GAADRO COc1nn(C)cc1C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580148544 1075692845 /nfs/dbraw/zinc/69/28/45/1075692845.db2.gz IWSLHBUZAAQMSO-UHFFFAOYSA-N 1 0 387.404 -1.028 20 0 GAADRO COc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580149767 1075692992 /nfs/dbraw/zinc/69/29/92/1075692992.db2.gz YWRANKSXCNLBMW-JTQLQIEISA-N 1 0 387.404 -1.029 20 0 GAADRO COc1nn(C)cc1C(=O)N(C)C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580149768 1075693306 /nfs/dbraw/zinc/69/33/06/1075693306.db2.gz YWRANKSXCNLBMW-SNVBAGLBSA-N 1 0 387.404 -1.029 20 0 GAADRO COc1nn(C)cc1C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580150397 1075693295 /nfs/dbraw/zinc/69/32/95/1075693295.db2.gz PAAOHJHBCVIIMK-JTQLQIEISA-N 1 0 387.404 -1.063 20 0 GAADRO COc1nn(C)cc1C(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580150398 1075693343 /nfs/dbraw/zinc/69/33/43/1075693343.db2.gz PAAOHJHBCVIIMK-SNVBAGLBSA-N 1 0 387.404 -1.063 20 0 GAADRO COc1nn(C)cc1C(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580150628 1075693176 /nfs/dbraw/zinc/69/31/76/1075693176.db2.gz SOIVQAJLLUYWEI-JTQLQIEISA-N 1 0 387.404 -1.063 20 0 GAADRO COc1nn(C)cc1C(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580150629 1075693368 /nfs/dbraw/zinc/69/33/68/1075693368.db2.gz SOIVQAJLLUYWEI-SNVBAGLBSA-N 1 0 387.404 -1.063 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001580155807 1075694575 /nfs/dbraw/zinc/69/45/75/1075694575.db2.gz FMAMIIUXJLNVDK-LLVKDONJSA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001580155808 1075694671 /nfs/dbraw/zinc/69/46/71/1075694671.db2.gz FMAMIIUXJLNVDK-NSHDSACASA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001580155919 1075694923 /nfs/dbraw/zinc/69/49/23/1075694923.db2.gz HEUZMCLBZIQXCG-LLVKDONJSA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001580155920 1075694918 /nfs/dbraw/zinc/69/49/18/1075694918.db2.gz HEUZMCLBZIQXCG-NSHDSACASA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001580155928 1075694914 /nfs/dbraw/zinc/69/49/14/1075694914.db2.gz HJIYJXSUCIYVPU-JTQLQIEISA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001580155929 1075694846 /nfs/dbraw/zinc/69/48/46/1075694846.db2.gz HJIYJXSUCIYVPU-SNVBAGLBSA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001580155965 1075694890 /nfs/dbraw/zinc/69/48/90/1075694890.db2.gz IQBQXFLDHZNEMO-JTQLQIEISA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001580155966 1075694880 /nfs/dbraw/zinc/69/48/80/1075694880.db2.gz IQBQXFLDHZNEMO-SNVBAGLBSA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001580156157 1075695634 /nfs/dbraw/zinc/69/56/34/1075695634.db2.gz OLIYTOCWEXWJCK-LLVKDONJSA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001580156158 1075695729 /nfs/dbraw/zinc/69/57/29/1075695729.db2.gz OLIYTOCWEXWJCK-NSHDSACASA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001580156318 1075696054 /nfs/dbraw/zinc/69/60/54/1075696054.db2.gz SMKWEBBEGIQOFM-JTQLQIEISA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001580156319 1075696050 /nfs/dbraw/zinc/69/60/50/1075696050.db2.gz SMKWEBBEGIQOFM-SNVBAGLBSA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001580156568 1075696737 /nfs/dbraw/zinc/69/67/37/1075696737.db2.gz XRRNJSMHTCITKI-LLVKDONJSA-N 1 0 386.409 -1.383 20 0 GAADRO CS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001580156569 1075696831 /nfs/dbraw/zinc/69/68/31/1075696831.db2.gz XRRNJSMHTCITKI-NSHDSACASA-N 1 0 386.409 -1.383 20 0 GAADRO [NH3+]C1(Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)COC1 ZINC001580158343 1075697879 /nfs/dbraw/zinc/69/78/79/1075697879.db2.gz WXVLDCJOHYERML-UHFFFAOYSA-N 1 0 384.462 -1.637 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580161506 1075700317 /nfs/dbraw/zinc/70/03/17/1075700317.db2.gz AHTPEWAQHPFMIW-CYBMUJFWSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580161508 1075700294 /nfs/dbraw/zinc/70/02/94/1075700294.db2.gz AHTPEWAQHPFMIW-ZDUSSCGKSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580161530 1075700225 /nfs/dbraw/zinc/70/02/25/1075700225.db2.gz ASQBQQQFAKPCNL-GFCCVEGCSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580161532 1075700303 /nfs/dbraw/zinc/70/03/03/1075700303.db2.gz ASQBQQQFAKPCNL-LBPRGKRZSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001580161568 1075700045 /nfs/dbraw/zinc/70/00/45/1075700045.db2.gz CMAVGKCLCIAALO-SECBINFHSA-N 1 0 388.475 -1.070 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001580161569 1075700275 /nfs/dbraw/zinc/70/02/75/1075700275.db2.gz CMAVGKCLCIAALO-VIFPVBQESA-N 1 0 388.475 -1.070 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001580161601 1075700560 /nfs/dbraw/zinc/70/05/60/1075700560.db2.gz DJKZKPPHIJFQHE-SECBINFHSA-N 1 0 388.475 -1.070 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001580161603 1075700482 /nfs/dbraw/zinc/70/04/82/1075700482.db2.gz DJKZKPPHIJFQHE-VIFPVBQESA-N 1 0 388.475 -1.070 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580161756 1075700829 /nfs/dbraw/zinc/70/08/29/1075700829.db2.gz GQZUOKVOVIXEAP-CYBMUJFWSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580161757 1075700851 /nfs/dbraw/zinc/70/08/51/1075700851.db2.gz GQZUOKVOVIXEAP-ZDUSSCGKSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)CCCC(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580161808 1075700972 /nfs/dbraw/zinc/70/09/72/1075700972.db2.gz IVWXOQNJWZRJQD-JTQLQIEISA-N 1 0 383.434 -1.603 20 0 GAADRO CS(=O)(=O)CCCC(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580161809 1075700820 /nfs/dbraw/zinc/70/08/20/1075700820.db2.gz IVWXOQNJWZRJQD-SNVBAGLBSA-N 1 0 383.434 -1.603 20 0 GAADRO CS(=O)(=O)CCCC(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580162398 1075702129 /nfs/dbraw/zinc/70/21/29/1075702129.db2.gz WJOTYNNCSKMXRQ-JTQLQIEISA-N 1 0 383.434 -1.603 20 0 GAADRO CS(=O)(=O)CCCC(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580162399 1075702026 /nfs/dbraw/zinc/70/20/26/1075702026.db2.gz WJOTYNNCSKMXRQ-SNVBAGLBSA-N 1 0 383.434 -1.603 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580162417 1075702102 /nfs/dbraw/zinc/70/21/02/1075702102.db2.gz XCFZQZZUDPYNEE-GFCCVEGCSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580162418 1075702354 /nfs/dbraw/zinc/70/23/54/1075702354.db2.gz XCFZQZZUDPYNEE-LBPRGKRZSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580162584 1075702378 /nfs/dbraw/zinc/70/23/78/1075702378.db2.gz ZNCCAUCMALNZSL-CYBMUJFWSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580162585 1075702534 /nfs/dbraw/zinc/70/25/34/1075702534.db2.gz ZNCCAUCMALNZSL-ZDUSSCGKSA-N 1 0 382.446 -1.132 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001580167455 1075703200 /nfs/dbraw/zinc/70/32/00/1075703200.db2.gz CGGIBKDRQXJKMC-JTQLQIEISA-N 1 0 382.450 -1.062 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001580167456 1075703146 /nfs/dbraw/zinc/70/31/46/1075703146.db2.gz CGGIBKDRQXJKMC-SNVBAGLBSA-N 1 0 382.450 -1.062 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001580167459 1075703260 /nfs/dbraw/zinc/70/32/60/1075703260.db2.gz CJXBGPSARDJPAE-GFCCVEGCSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001580167460 1075703214 /nfs/dbraw/zinc/70/32/14/1075703214.db2.gz CJXBGPSARDJPAE-LBPRGKRZSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001580167478 1075703536 /nfs/dbraw/zinc/70/35/36/1075703536.db2.gz DANOQYRUQLAOJH-JTQLQIEISA-N 1 0 382.450 -1.204 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001580167479 1075703443 /nfs/dbraw/zinc/70/34/43/1075703443.db2.gz DANOQYRUQLAOJH-SNVBAGLBSA-N 1 0 382.450 -1.204 20 0 GAADRO CS(=O)(=O)NCCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001580167502 1075703736 /nfs/dbraw/zinc/70/37/36/1075703736.db2.gz FMBLBDXTDXMONH-UHFFFAOYSA-N 1 0 380.434 -1.316 20 0 GAADRO CS(=O)(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001580167626 1075704700 /nfs/dbraw/zinc/70/47/00/1075704700.db2.gz LNZWISMVLBQVGC-AOOOYVTPSA-N 1 0 380.434 -1.318 20 0 GAADRO CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001580167627 1075704605 /nfs/dbraw/zinc/70/46/05/1075704605.db2.gz LNZWISMVLBQVGC-MGCOHNPYSA-N 1 0 380.434 -1.318 20 0 GAADRO CS(=O)(=O)NCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001580167684 1075704460 /nfs/dbraw/zinc/70/44/60/1075704460.db2.gz OLRSJXNZLNSTCF-YABSGUDNSA-N 1 0 392.445 -1.248 20 0 GAADRO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580167699 1075704544 /nfs/dbraw/zinc/70/45/44/1075704544.db2.gz OZXHYGJNSXHTEW-JTQLQIEISA-N 1 0 382.450 -1.204 20 0 GAADRO CS(=O)(=O)NCC[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580167700 1075704477 /nfs/dbraw/zinc/70/44/77/1075704477.db2.gz OZXHYGJNSXHTEW-SNVBAGLBSA-N 1 0 382.450 -1.204 20 0 GAADRO CS(=O)(=O)NCCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001580167715 1075704965 /nfs/dbraw/zinc/70/49/65/1075704965.db2.gz PJTMVXLPNZWFNT-JTQLQIEISA-N 1 0 380.434 -1.364 20 0 GAADRO CS(=O)(=O)NCCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001580167716 1075704831 /nfs/dbraw/zinc/70/48/31/1075704831.db2.gz PJTMVXLPNZWFNT-SNVBAGLBSA-N 1 0 380.434 -1.364 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC1 ZINC001580167723 1075705007 /nfs/dbraw/zinc/70/50/07/1075705007.db2.gz PPOPOIVFKZOCQX-UHFFFAOYSA-N 1 0 382.450 -1.014 20 0 GAADRO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001580167725 1075704883 /nfs/dbraw/zinc/70/48/83/1075704883.db2.gz PVAXQBNTUXMRNZ-JTQLQIEISA-N 1 0 382.450 -1.204 20 0 GAADRO CS(=O)(=O)NCC[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001580167726 1075704807 /nfs/dbraw/zinc/70/48/07/1075704807.db2.gz PVAXQBNTUXMRNZ-SNVBAGLBSA-N 1 0 382.450 -1.204 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001580167757 1075704933 /nfs/dbraw/zinc/70/49/33/1075704933.db2.gz RCZKPCAHBBSQHN-LLVKDONJSA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@@H](CCNC(=O)CN1CCN(C)C(=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580247245 1075706588 /nfs/dbraw/zinc/70/65/88/1075706588.db2.gz VAZKKVQFVAETSD-LBPRGKRZSA-N 1 0 387.448 -1.236 20 0 GAADRO C[C@@H](CCNC(=O)Cn1ccc(=O)[nH]c1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580248023 1075706601 /nfs/dbraw/zinc/70/66/01/1075706601.db2.gz WWMAJUQTPVUMHG-JTQLQIEISA-N 1 0 385.388 -1.047 20 0 GAADRO C[C@@H](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001580252028 1075706412 /nfs/dbraw/zinc/70/64/12/1075706412.db2.gz KQUCIRDKNCANRB-JTQLQIEISA-N 1 0 389.420 -1.749 20 0 GAADRO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001580268073 1075706979 /nfs/dbraw/zinc/70/69/79/1075706979.db2.gz HECMRAFJCJHJMN-VIFPVBQESA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001580268075 1075706847 /nfs/dbraw/zinc/70/68/47/1075706847.db2.gz HPBFEOJPMSIKTO-QMMMGPOBSA-N 1 0 375.393 -1.109 20 0 GAADRO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001580268264 1075706975 /nfs/dbraw/zinc/70/69/75/1075706975.db2.gz QDVUURPFNCLVHD-VIFPVBQESA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001580270111 1075706854 /nfs/dbraw/zinc/70/68/54/1075706854.db2.gz GWHKOPFQEBQPTJ-VIFPVBQESA-N 1 0 387.404 -1.500 20 0 GAADRO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001580270426 1075706860 /nfs/dbraw/zinc/70/68/60/1075706860.db2.gz CDAXRCICIOZHFW-JQWIXIFHSA-N 1 0 376.421 -1.114 20 0 GAADRO C[C@@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001580270579 1075707000 /nfs/dbraw/zinc/70/70/00/1075707000.db2.gz SIAWQUNPRXIARI-VIFPVBQESA-N 1 0 387.404 -1.500 20 0 GAADRO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001580271226 1075706960 /nfs/dbraw/zinc/70/69/60/1075706960.db2.gz JTPSBOXKAPTWLU-JQWIXIFHSA-N 1 0 376.421 -1.114 20 0 GAADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580274310 1075706777 /nfs/dbraw/zinc/70/67/77/1075706777.db2.gz POGDLXYCWSJKSJ-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580274316 1075706912 /nfs/dbraw/zinc/70/69/12/1075706912.db2.gz PXRVVPJEYAQQMR-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580277567 1075706879 /nfs/dbraw/zinc/70/68/79/1075706879.db2.gz OLXYUQOGYFUWPG-QMMMGPOBSA-N 1 0 390.433 -1.087 20 0 GAADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CN1CCNC(=O)C1 ZINC001580277896 1075706829 /nfs/dbraw/zinc/70/68/29/1075706829.db2.gz XHEUSMUTRBRORG-JTQLQIEISA-N 1 0 378.462 -1.046 20 0 GAADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580278780 1075706931 /nfs/dbraw/zinc/70/69/31/1075706931.db2.gz GENARICOQAGAFD-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580280661 1075706983 /nfs/dbraw/zinc/70/69/83/1075706983.db2.gz FHFLVBAQCPSCIN-JTQLQIEISA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001580290045 1075707388 /nfs/dbraw/zinc/70/73/88/1075707388.db2.gz CEUHEWLYCACOEM-VIFPVBQESA-N 1 0 382.450 -1.072 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001580291488 1075707687 /nfs/dbraw/zinc/70/76/87/1075707687.db2.gz BHKRYCCGQGMYIG-VIFPVBQESA-N 1 0 385.388 -1.689 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001580291529 1075707726 /nfs/dbraw/zinc/70/77/26/1075707726.db2.gz DHXDJVYXBYTDBO-JTQLQIEISA-N 1 0 385.388 -1.839 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCS(=O)(=O)N(C)C ZINC001580291751 1075707698 /nfs/dbraw/zinc/70/76/98/1075707698.db2.gz JOKOETDQHDBKCK-JTQLQIEISA-N 1 0 382.450 -1.118 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CNS(=O)(=O)N(C)C ZINC001580291909 1075707789 /nfs/dbraw/zinc/70/77/89/1075707789.db2.gz MDXTWUHPVSVIPM-VIFPVBQESA-N 1 0 383.438 -2.004 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001580292500 1075707770 /nfs/dbraw/zinc/70/77/70/1075707770.db2.gz ZCOLEERUJYGNKP-ZANVPECISA-N 1 0 382.388 -1.021 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CN1CCCS1(=O)=O ZINC001580292536 1075707796 /nfs/dbraw/zinc/70/77/96/1075707796.db2.gz ZYSNSJPOFDVHRL-JTQLQIEISA-N 1 0 380.434 -1.364 20 0 GAADRO C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580318925 1075708550 /nfs/dbraw/zinc/70/85/50/1075708550.db2.gz DDXRNQYNWXBMKA-NOZJJQNGSA-N 1 0 384.400 -1.005 20 0 GAADRO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580322922 1075708900 /nfs/dbraw/zinc/70/89/00/1075708900.db2.gz ZDDUERNCEPLXRR-JIMOISOXSA-N 1 0 392.445 -1.366 20 0 GAADRO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580322923 1075709110 /nfs/dbraw/zinc/70/91/10/1075709110.db2.gz ZDDUERNCEPLXRR-OASPWFOLSA-N 1 0 392.445 -1.366 20 0 GAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580326760 1075708918 /nfs/dbraw/zinc/70/89/18/1075708918.db2.gz YLPRNFVXINBZDA-BXUZGUMPSA-N 1 0 385.432 -1.626 20 0 GAADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580329460 1075709491 /nfs/dbraw/zinc/70/94/91/1075709491.db2.gz ZDHIMLNKZGMPSP-JFUSQASVSA-N 1 0 385.388 -1.460 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC[N@@H+]1C ZINC001580385345 1075713300 /nfs/dbraw/zinc/71/33/00/1075713300.db2.gz FKBVLJANROQEQJ-GHMZBOCLSA-N 1 0 388.432 -1.162 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC[N@@H+]1C ZINC001580385400 1075713510 /nfs/dbraw/zinc/71/35/10/1075713510.db2.gz HKWWAKVJAFQZFM-DMTCVQMQSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC001580385401 1075713128 /nfs/dbraw/zinc/71/31/28/1075713128.db2.gz HKWWAKVJAFQZFM-MHWZDGSBSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001580385496 1075713429 /nfs/dbraw/zinc/71/34/29/1075713429.db2.gz MGLRXFYAQURNLW-ZYHUDNBSSA-N 1 0 388.432 -1.162 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC001580385520 1075713626 /nfs/dbraw/zinc/71/36/26/1075713626.db2.gz MVDFBXOXOHHNAZ-IMJCEVDSSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001580385521 1075713271 /nfs/dbraw/zinc/71/32/71/1075713271.db2.gz MVDFBXOXOHHNAZ-WGEPELCKSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)CC[N@@H+]1C ZINC001580385892 1075713394 /nfs/dbraw/zinc/71/33/94/1075713394.db2.gz XZQCCZOSVOKDTO-IMJCEVDSSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001580385894 1075713596 /nfs/dbraw/zinc/71/35/96/1075713596.db2.gz XZQCCZOSVOKDTO-WGEPELCKSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC[N@@H+]1C ZINC001580387716 1075713641 /nfs/dbraw/zinc/71/36/41/1075713641.db2.gz DOMRXVHYAQQYMM-GHMZBOCLSA-N 1 0 388.432 -1.162 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1C ZINC001580387878 1075713468 /nfs/dbraw/zinc/71/34/68/1075713468.db2.gz GNLFKABDWQNVLZ-GMTAPVOTSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1C ZINC001580387879 1075713338 /nfs/dbraw/zinc/71/33/38/1075713338.db2.gz GNLFKABDWQNVLZ-OUAUKWLOSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001580387911 1075713610 /nfs/dbraw/zinc/71/36/10/1075713610.db2.gz HGKJWCRRMZRZAD-ADEWGFFLSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001580387912 1075713237 /nfs/dbraw/zinc/71/32/37/1075713237.db2.gz HGKJWCRRMZRZAD-YUSALJHKSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001580388005 1075713370 /nfs/dbraw/zinc/71/33/70/1075713370.db2.gz KOYPUYNERDFXQY-ADEWGFFLSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001580388006 1075713563 /nfs/dbraw/zinc/71/35/63/1075713563.db2.gz KOYPUYNERDFXQY-YUSALJHKSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1C ZINC001580388029 1075713171 /nfs/dbraw/zinc/71/31/71/1075713171.db2.gz LIXYUBOCTGTTAQ-GMTAPVOTSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1C ZINC001580388030 1075713206 /nfs/dbraw/zinc/71/32/06/1075713206.db2.gz LIXYUBOCTGTTAQ-OUAUKWLOSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1C ZINC001580388066 1075714128 /nfs/dbraw/zinc/71/41/28/1075714128.db2.gz LZVYEASSWULCSG-ADEWGFFLSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1C ZINC001580388067 1075714207 /nfs/dbraw/zinc/71/42/07/1075714207.db2.gz LZVYEASSWULCSG-YUSALJHKSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001580388177 1075713930 /nfs/dbraw/zinc/71/39/30/1075713930.db2.gz QPPCFQQZKGVUMP-ADEWGFFLSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001580388178 1075714150 /nfs/dbraw/zinc/71/41/50/1075714150.db2.gz QPPCFQQZKGVUMP-YUSALJHKSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001580388316 1075714039 /nfs/dbraw/zinc/71/40/39/1075714039.db2.gz WOBTVEUXVCLEMT-ZYHUDNBSSA-N 1 0 388.432 -1.162 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1C ZINC001580388365 1075713901 /nfs/dbraw/zinc/71/39/01/1075713901.db2.gz YMOUVUZPAMSMPQ-GMTAPVOTSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1C ZINC001580388366 1075713858 /nfs/dbraw/zinc/71/38/58/1075713858.db2.gz YMOUVUZPAMSMPQ-OUAUKWLOSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1C ZINC001580388367 1075714090 /nfs/dbraw/zinc/71/40/90/1075714090.db2.gz YMVYAFUKMSMBLO-ADEWGFFLSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1C ZINC001580388368 1075713959 /nfs/dbraw/zinc/71/39/59/1075713959.db2.gz YMVYAFUKMSMBLO-YUSALJHKSA-N 1 0 376.421 -1.258 20 0 GAADRO C[C@@]1(C(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC(=O)N1 ZINC001580388962 1075714458 /nfs/dbraw/zinc/71/44/58/1075714458.db2.gz IVCCTGPSURRDRC-DIFFPNOSSA-N 1 0 386.416 -1.008 20 0 GAADRO C[C@@]1(C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC(=O)N1 ZINC001580388963 1075714610 /nfs/dbraw/zinc/71/46/10/1075714610.db2.gz IVCCTGPSURRDRC-GTNSWQLSSA-N 1 0 386.416 -1.008 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)CC[N@@H+]1C ZINC001580389660 1075714816 /nfs/dbraw/zinc/71/48/16/1075714816.db2.gz IAZQGPFFSGICSN-IMJCEVDSSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001580389661 1075714736 /nfs/dbraw/zinc/71/47/36/1075714736.db2.gz IAZQGPFFSGICSN-WGEPELCKSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001580389757 1075714889 /nfs/dbraw/zinc/71/48/89/1075714889.db2.gz NCBDXBWNKQBFJF-DMTCVQMQSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)CC[N@@H+]1C ZINC001580389999 1075714931 /nfs/dbraw/zinc/71/49/31/1075714931.db2.gz NCBDXBWNKQBFJF-MHWZDGSBSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001580390086 1075715288 /nfs/dbraw/zinc/71/52/88/1075715288.db2.gz RMRMTVFCNRSZAJ-IMJCEVDSSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)CC[N@@H+]1C ZINC001580390087 1075715342 /nfs/dbraw/zinc/71/53/42/1075715342.db2.gz RMRMTVFCNRSZAJ-WGEPELCKSA-N 1 0 388.432 -1.164 20 0 GAADRO C[C@]12CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001580391877 1075715468 /nfs/dbraw/zinc/71/54/68/1075715468.db2.gz HKVLCOLDYXILDY-ABKXIKBNSA-N 1 0 387.404 -1.216 20 0 GAADRO C[C@]12CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001580392495 1075715881 /nfs/dbraw/zinc/71/58/81/1075715881.db2.gz UFIUWVCBMFJBQL-HWPZZCPQSA-N 1 0 387.404 -1.216 20 0 GAADRO C[C@]12CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001580392653 1075715857 /nfs/dbraw/zinc/71/58/57/1075715857.db2.gz ZJIJPONDXBHLIX-HWPZZCPQSA-N 1 0 387.404 -1.216 20 0 GAADRO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001580399369 1075716018 /nfs/dbraw/zinc/71/60/18/1075716018.db2.gz CDAXRCICIOZHFW-PWSUYJOCSA-N 1 0 376.421 -1.114 20 0 GAADRO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001580399588 1075716242 /nfs/dbraw/zinc/71/62/42/1075716242.db2.gz HECMRAFJCJHJMN-SECBINFHSA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001580399593 1075716236 /nfs/dbraw/zinc/71/62/36/1075716236.db2.gz HPBFEOJPMSIKTO-MRVPVSSYSA-N 1 0 375.393 -1.109 20 0 GAADRO C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001580399631 1075716014 /nfs/dbraw/zinc/71/60/14/1075716014.db2.gz JGOMCJKMQDKRCI-MRVPVSSYSA-N 1 0 375.393 -1.109 20 0 GAADRO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001580399639 1075715991 /nfs/dbraw/zinc/71/59/91/1075715991.db2.gz JTPSBOXKAPTWLU-PWSUYJOCSA-N 1 0 376.421 -1.114 20 0 GAADRO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001580399645 1075716005 /nfs/dbraw/zinc/71/60/05/1075716005.db2.gz KCEZYEQDTCOAOG-SECBINFHSA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001580399742 1075716008 /nfs/dbraw/zinc/71/60/08/1075716008.db2.gz QDVUURPFNCLVHD-SECBINFHSA-N 1 0 375.393 -2.139 20 0 GAADRO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001580399916 1075716190 /nfs/dbraw/zinc/71/61/90/1075716190.db2.gz UNKKIGFLBUCNIZ-MNOVXSKESA-N 1 0 376.421 -1.114 20 0 GAADRO C[C@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001580401048 1075716220 /nfs/dbraw/zinc/71/62/20/1075716220.db2.gz ZUPZWZPEFKSCCN-SECBINFHSA-N 1 0 387.404 -1.500 20 0 GAADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001580402220 1075716035 /nfs/dbraw/zinc/71/60/35/1075716035.db2.gz PTRNWRZEERWMOK-QDEZUTFSSA-N 1 0 384.502 -1.439 20 0 GAADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001580402221 1075716100 /nfs/dbraw/zinc/71/61/00/1075716100.db2.gz PTRNWRZEERWMOK-ZOMKSWQUSA-N 1 0 384.502 -1.439 20 0 GAADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580402692 1075716225 /nfs/dbraw/zinc/71/62/25/1075716225.db2.gz POGDLXYCWSJKSJ-SNVBAGLBSA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580402703 1075716047 /nfs/dbraw/zinc/71/60/47/1075716047.db2.gz PXRVVPJEYAQQMR-SNVBAGLBSA-N 1 0 384.404 -1.148 20 0 GAADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001580405774 1075716207 /nfs/dbraw/zinc/71/62/07/1075716207.db2.gz HDGUXTVCWLFFCR-MRVPVSSYSA-N 1 0 390.433 -1.087 20 0 GAADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001580405927 1075716509 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384.404 -1.013 20 0 GAADRO Cc1nnc(CC(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)[nH]1 ZINC001580976525 1075744475 /nfs/dbraw/zinc/74/44/75/1075744475.db2.gz NTSIXPBMCLPDQK-YPMHNXCESA-N 1 0 384.404 -1.095 20 0 GAADRO Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580976528 1075744521 /nfs/dbraw/zinc/74/45/21/1075744521.db2.gz NVEFGISXFMRWTQ-QKCSRTOESA-N 1 0 386.416 -1.238 20 0 GAADRO Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580976529 1075744493 /nfs/dbraw/zinc/74/44/93/1075744493.db2.gz NVEFGISXFMRWTQ-SUHUHFCYSA-N 1 0 386.416 -1.238 20 0 GAADRO Cc1cc(N2C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580976551 1075744470 /nfs/dbraw/zinc/74/44/70/1075744470.db2.gz OUIAQEIXKBMIOT-NDMJEZRESA-N 1 0 395.445 -1.331 20 0 GAADRO Cc1cc(N2C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580976552 1075744453 /nfs/dbraw/zinc/74/44/53/1075744453.db2.gz 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Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n(C)c1=O ZINC001581759065 1075786115 /nfs/dbraw/zinc/78/61/15/1075786115.db2.gz DGKJKILPHBBXAE-CYBMUJFWSA-N 1 0 386.416 -1.216 20 0 GAADRO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n(C)c1=O ZINC001581759066 1075786141 /nfs/dbraw/zinc/78/61/41/1075786141.db2.gz DGKJKILPHBBXAE-ZDUSSCGKSA-N 1 0 386.416 -1.216 20 0 GAADRO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n(C)c1=O ZINC001581759172 1075786094 /nfs/dbraw/zinc/78/60/94/1075786094.db2.gz GKPTYRAAYJKTTI-CYBMUJFWSA-N 1 0 386.416 -1.216 20 0 GAADRO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n(C)c1=O ZINC001581759173 1075786089 /nfs/dbraw/zinc/78/60/89/1075786089.db2.gz GKPTYRAAYJKTTI-ZDUSSCGKSA-N 1 0 386.416 -1.216 20 0 GAADRO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n(C)c1=O ZINC001581759204 1075786178 /nfs/dbraw/zinc/78/61/78/1075786178.db2.gz HESDIANYDJEHHV-SECBINFHSA-N 1 0 392.445 -1.154 20 0 GAADRO 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/nfs/dbraw/zinc/81/14/09/1075811409.db2.gz ZPYWNYNFDQKTAN-CYBMUJFWSA-N 1 0 387.404 -1.971 20 0 GAADRO Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1=O ZINC001581820166 1075811393 /nfs/dbraw/zinc/81/13/93/1075811393.db2.gz ZPYWNYNFDQKTAN-ZDUSSCGKSA-N 1 0 387.404 -1.971 20 0 GAADRO Cn1nc(C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)ccc1=O ZINC001581821207 1075811454 /nfs/dbraw/zinc/81/14/54/1075811454.db2.gz GAQUSJKFTHZPBB-UHFFFAOYSA-N 1 0 385.388 -1.676 20 0 GAADRO Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)ccc1=O ZINC001581822108 1075812610 /nfs/dbraw/zinc/81/26/10/1075812610.db2.gz CSXUYSKPGIAOIK-CYBMUJFWSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)ccc1=O ZINC001581822109 1075813004 /nfs/dbraw/zinc/81/30/04/1075813004.db2.gz CSXUYSKPGIAOIK-ZDUSSCGKSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)ccc1=O ZINC001581822233 1075812994 /nfs/dbraw/zinc/81/29/94/1075812994.db2.gz JMVOPSGZBYKWJT-CYBMUJFWSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)ccc1=O ZINC001581822234 1075812929 /nfs/dbraw/zinc/81/29/29/1075812929.db2.gz JMVOPSGZBYKWJT-ZDUSSCGKSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC001581822249 1075812959 /nfs/dbraw/zinc/81/29/59/1075812959.db2.gz KDBRPJOLQOLIAY-GFCCVEGCSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC001581822250 1075812904 /nfs/dbraw/zinc/81/29/04/1075812904.db2.gz KDBRPJOLQOLIAY-LBPRGKRZSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC001581822392 1075812919 /nfs/dbraw/zinc/81/29/19/1075812919.db2.gz OPIJMRAAQPKVQM-GFCCVEGCSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC001581822393 1075812924 /nfs/dbraw/zinc/81/29/24/1075812924.db2.gz OPIJMRAAQPKVQM-LBPRGKRZSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)ccc1=O ZINC001581822483 1075813204 /nfs/dbraw/zinc/81/32/04/1075813204.db2.gz ROILXJSDXQVODN-CYBMUJFWSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)ccc1=O ZINC001581822484 1075813307 /nfs/dbraw/zinc/81/33/07/1075813307.db2.gz ROILXJSDXQVODN-ZDUSSCGKSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)ccc1=O ZINC001581822554 1075813208 /nfs/dbraw/zinc/81/32/08/1075813208.db2.gz UCQGNWGKTCXOFT-SECBINFHSA-N 1 0 390.429 -1.098 20 0 GAADRO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)ccc1=O ZINC001581822555 1075813250 /nfs/dbraw/zinc/81/32/50/1075813250.db2.gz UCQGNWGKTCXOFT-VIFPVBQESA-N 1 0 390.429 -1.098 20 0 GAADRO Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)ccc1=O ZINC001581822606 1075813193 /nfs/dbraw/zinc/81/31/93/1075813193.db2.gz VYRRUOROWMRAMD-CYBMUJFWSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)ccc1=O ZINC001581822607 1075813335 /nfs/dbraw/zinc/81/33/35/1075813335.db2.gz VYRRUOROWMRAMD-ZDUSSCGKSA-N 1 0 384.400 -1.159 20 0 GAADRO Cn1ncc(C(=O)N2CCC(O)(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001581825224 1075814467 /nfs/dbraw/zinc/81/44/67/1075814467.db2.gz DTHPSRNQEINOPC-UHFFFAOYSA-N 1 0 384.404 -1.109 20 0 GAADRO Cn1ncc(C(=O)N2CCC[C@](CO)(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001581825547 1075814920 /nfs/dbraw/zinc/81/49/20/1075814920.db2.gz QOQNLIWTVJHBEV-INIZCTEOSA-N 1 0 384.404 -1.109 20 0 GAADRO Cn1ncc(C(=O)N2CCC[C@@](CO)(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001581825548 1075814926 /nfs/dbraw/zinc/81/49/26/1075814926.db2.gz QOQNLIWTVJHBEV-MRXNPFEDSA-N 1 0 384.404 -1.109 20 0 GAADRO Cn1ncc(C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1N ZINC001581827264 1075815748 /nfs/dbraw/zinc/81/57/48/1075815748.db2.gz IUSLJHJDTWTBBT-JTQLQIEISA-N 1 0 384.404 -1.048 20 0 GAADRO Cn1ncc(C(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1N ZINC001581827265 1075815492 /nfs/dbraw/zinc/81/54/92/1075815492.db2.gz IUSLJHJDTWTBBT-SNVBAGLBSA-N 1 0 384.404 -1.048 20 0 GAADRO Cn1ncc(CCC(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001581830059 1075817506 /nfs/dbraw/zinc/81/75/06/1075817506.db2.gz BQRDUHPJHZJIPP-UHFFFAOYSA-N 1 0 386.420 -1.322 20 0 GAADRO Cn1nccc1COCC(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581839689 1075819698 /nfs/dbraw/zinc/81/96/98/1075819698.db2.gz LSTXRTFJKJXXLZ-LLVKDONJSA-N 1 0 387.404 -1.477 20 0 GAADRO Cn1nccc1COCC(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581839690 1075819881 /nfs/dbraw/zinc/81/98/81/1075819881.db2.gz LSTXRTFJKJXXLZ-NSHDSACASA-N 1 0 387.404 -1.477 20 0 GAADRO Cn1nnc(C(=O)N(CCO)CC[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581841303 1075820611 /nfs/dbraw/zinc/82/06/11/1075820611.db2.gz VYIWXHBQLIPHNQ-UHFFFAOYSA-N 1 0 390.383 -1.246 20 0 GAADRO Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001581842093 1075820563 /nfs/dbraw/zinc/82/05/63/1075820563.db2.gz CPTGNIAKWZREEO-SECBINFHSA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001581842094 1075820482 /nfs/dbraw/zinc/82/04/82/1075820482.db2.gz CPTGNIAKWZREEO-VIFPVBQESA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581842136 1075820942 /nfs/dbraw/zinc/82/09/42/1075820942.db2.gz DPUJOVJSMHJYAK-JTQLQIEISA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001581842137 1075820885 /nfs/dbraw/zinc/82/08/85/1075820885.db2.gz DPUJOVJSMHJYAK-SNVBAGLBSA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001581842258 1075821257 /nfs/dbraw/zinc/82/12/57/1075821257.db2.gz IFDAUQLLQXYCHF-SECBINFHSA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001581842259 1075821290 /nfs/dbraw/zinc/82/12/90/1075821290.db2.gz IFDAUQLLQXYCHF-VIFPVBQESA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CCOCC2)n1 ZINC001581842293 1075821174 /nfs/dbraw/zinc/82/11/74/1075821174.db2.gz JHZPIZZMRFWNTH-UHFFFAOYSA-N 1 0 385.392 -1.402 20 0 GAADRO Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001581842311 1075821250 /nfs/dbraw/zinc/82/12/50/1075821250.db2.gz JSCPSIRZMFIBNW-JTQLQIEISA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001581842312 1075821166 /nfs/dbraw/zinc/82/11/66/1075821166.db2.gz JSCPSIRZMFIBNW-SNVBAGLBSA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581842359 1075821240 /nfs/dbraw/zinc/82/12/40/1075821240.db2.gz LECAQLDZUROMJN-CHWSQXEVSA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581842360 1075821199 /nfs/dbraw/zinc/82/11/99/1075821199.db2.gz LECAQLDZUROMJN-OLZOCXBDSA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581842361 1075821137 /nfs/dbraw/zinc/82/11/37/1075821137.db2.gz LECAQLDZUROMJN-QWHCGFSZSA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581842362 1075821280 /nfs/dbraw/zinc/82/12/80/1075821280.db2.gz LECAQLDZUROMJN-STQMWFEESA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001581842376 1075821322 /nfs/dbraw/zinc/82/13/22/1075821322.db2.gz LVNMCMPJERRYJQ-SECBINFHSA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001581842377 1075821357 /nfs/dbraw/zinc/82/13/57/1075821357.db2.gz LVNMCMPJERRYJQ-VIFPVBQESA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC2(CO)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001581842430 1075821561 /nfs/dbraw/zinc/82/15/61/1075821561.db2.gz NDWJMLMSXBRNOV-UHFFFAOYSA-N 1 0 385.392 -1.454 20 0 GAADRO Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)n1 ZINC001581842506 1075821571 /nfs/dbraw/zinc/82/15/71/1075821571.db2.gz OYMZYVLKENWIEU-JTQLQIEISA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)n1 ZINC001581842507 1075821478 /nfs/dbraw/zinc/82/14/78/1075821478.db2.gz OYMZYVLKENWIEU-SNVBAGLBSA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)n1 ZINC001581842519 1075821698 /nfs/dbraw/zinc/82/16/98/1075821698.db2.gz PMBSBWOUHCWLOL-CHWSQXEVSA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)n1 ZINC001581842520 1075821676 /nfs/dbraw/zinc/82/16/76/1075821676.db2.gz PMBSBWOUHCWLOL-OLZOCXBDSA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)n1 ZINC001581842521 1075821485 /nfs/dbraw/zinc/82/14/85/1075821485.db2.gz PMBSBWOUHCWLOL-QWHCGFSZSA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)n1 ZINC001581842522 1075821540 /nfs/dbraw/zinc/82/15/40/1075821540.db2.gz PMBSBWOUHCWLOL-STQMWFEESA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581842749 1075822001 /nfs/dbraw/zinc/82/20/01/1075822001.db2.gz XFHIIPIOWOREDR-CHWSQXEVSA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581842750 1075821975 /nfs/dbraw/zinc/82/19/75/1075821975.db2.gz XFHIIPIOWOREDR-OLZOCXBDSA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581842751 1075821931 /nfs/dbraw/zinc/82/19/31/1075821931.db2.gz XFHIIPIOWOREDR-QWHCGFSZSA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)n1 ZINC001581842752 1075822035 /nfs/dbraw/zinc/82/20/35/1075822035.db2.gz XFHIIPIOWOREDR-STQMWFEESA-N 1 0 384.404 -1.245 20 0 GAADRO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)n1 ZINC001581842762 1075822202 /nfs/dbraw/zinc/82/22/02/1075822202.db2.gz XQQBFFXRDOVDSC-JTQLQIEISA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)n1 ZINC001581842763 1075822375 /nfs/dbraw/zinc/82/23/75/1075822375.db2.gz XQQBFFXRDOVDSC-SNVBAGLBSA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001581842772 1075822378 /nfs/dbraw/zinc/82/23/78/1075822378.db2.gz XYDKPPIJJQJWFL-SECBINFHSA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001581842773 1075822343 /nfs/dbraw/zinc/82/23/43/1075822343.db2.gz XYDKPPIJJQJWFL-VIFPVBQESA-N 1 0 376.356 -1.590 20 0 GAADRO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001581842874 1075822269 /nfs/dbraw/zinc/82/22/69/1075822269.db2.gz AIRDRPVGZCFGLM-INIZCTEOSA-N 1 0 384.404 -1.243 20 0 GAADRO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001581842875 1075822131 /nfs/dbraw/zinc/82/21/31/1075822131.db2.gz AIRDRPVGZCFGLM-MRXNPFEDSA-N 1 0 384.404 -1.243 20 0 GAADRO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001581843710 1075822510 /nfs/dbraw/zinc/82/25/10/1075822510.db2.gz MITQRTCBSXCKND-AWEZNQCLSA-N 1 0 390.433 -1.182 20 0 GAADRO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001581843711 1075822552 /nfs/dbraw/zinc/82/25/52/1075822552.db2.gz MITQRTCBSXCKND-CQSZACIVSA-N 1 0 390.433 -1.182 20 0 GAADRO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001581843746 1075822614 /nfs/dbraw/zinc/82/26/14/1075822614.db2.gz OBEGWGDFYQXQBB-INIZCTEOSA-N 1 0 384.404 -1.243 20 0 GAADRO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001581843756 1075822584 /nfs/dbraw/zinc/82/25/84/1075822584.db2.gz OBEGWGDFYQXQBB-MRXNPFEDSA-N 1 0 384.404 -1.243 20 0 GAADRO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001581844053 1075823021 /nfs/dbraw/zinc/82/30/21/1075823021.db2.gz WYFZDFBIEOVUIT-INIZCTEOSA-N 1 0 384.404 -1.243 20 0 GAADRO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001581844054 1075822964 /nfs/dbraw/zinc/82/29/64/1075822964.db2.gz WYFZDFBIEOVUIT-MRXNPFEDSA-N 1 0 384.404 -1.243 20 0 GAADRO Cn1nnc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCOCC2)n1 ZINC001581844073 1075822953 /nfs/dbraw/zinc/82/29/53/1075822953.db2.gz YFFZXYPZCRWZPL-UHFFFAOYSA-N 1 0 385.392 -1.402 20 0 GAADRO Cn1nnc(C(=O)N2CCC(O)(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001581844132 1075823307 /nfs/dbraw/zinc/82/33/07/1075823307.db2.gz GGCUXNKCGDYZOE-UHFFFAOYSA-N 1 0 385.392 -1.714 20 0 GAADRO Cn1nnc(C(=O)N2CCC[C@](CO)(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001581844221 1075823228 /nfs/dbraw/zinc/82/32/28/1075823228.db2.gz JSJSHFPLKYSDPZ-HNNXBMFYSA-N 1 0 385.392 -1.714 20 0 GAADRO Cn1nnc(C(=O)N2CCC[C@@](CO)(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001581844222 1075823299 /nfs/dbraw/zinc/82/32/99/1075823299.db2.gz JSJSHFPLKYSDPZ-OAHLLOKOSA-N 1 0 385.392 -1.714 20 0 GAADRO Cn1nnc(C(=O)N2CCCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 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/nfs/dbraw/zinc/83/66/84/1075836684.db2.gz CAGNBQOFPHESLI-UTUOFQBUSA-N 1 0 377.380 -1.306 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581901207 1075836691 /nfs/dbraw/zinc/83/66/91/1075836691.db2.gz KDRRGSMMRPQAGA-AXFHLTTASA-N 1 0 377.380 -1.306 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581901208 1075836631 /nfs/dbraw/zinc/83/66/31/1075836631.db2.gz KDRRGSMMRPQAGA-MXWKQRLJSA-N 1 0 377.380 -1.306 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581901236 1075836782 /nfs/dbraw/zinc/83/67/82/1075836782.db2.gz LQIAFOVABGJWPT-RTXFEEFZSA-N 1 0 377.380 -1.306 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581901237 1075836723 /nfs/dbraw/zinc/83/67/23/1075836723.db2.gz LQIAFOVABGJWPT-UHTWSYAYSA-N 1 0 377.380 -1.306 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581901457 1075836930 /nfs/dbraw/zinc/83/69/30/1075836930.db2.gz SFWCSBGLKIHFGU-AXFHLTTASA-N 1 0 377.380 -1.306 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581901458 1075836919 /nfs/dbraw/zinc/83/69/19/1075836919.db2.gz SFWCSBGLKIHFGU-MXWKQRLJSA-N 1 0 377.380 -1.306 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581901712 1075837119 /nfs/dbraw/zinc/83/71/19/1075837119.db2.gz ZASUXYCEJCDCBR-JLLWLGSASA-N 1 0 377.380 -1.306 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581901713 1075837076 /nfs/dbraw/zinc/83/70/76/1075837076.db2.gz ZASUXYCEJCDCBR-WCQGTBRESA-N 1 0 377.380 -1.306 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)O1 ZINC001581901797 1075837498 /nfs/dbraw/zinc/83/74/98/1075837498.db2.gz CRWXLXDOOHFYSF-HZSPNIEDSA-N 1 0 389.416 -1.534 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)O1 ZINC001581901798 1075837538 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NFXZVWVJSVRVQH-MGCOHNPYSA-N 1 0 380.434 -1.189 20 0 GAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581946832 1075839882 /nfs/dbraw/zinc/83/98/82/1075839882.db2.gz AAEMADPTVLZEFP-GWCFXTLKSA-N 1 0 392.445 -1.222 20 0 GAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581946838 1075840254 /nfs/dbraw/zinc/84/02/54/1075840254.db2.gz AAEMADPTVLZEFP-GXFFZTMASA-N 1 0 392.445 -1.222 20 0 GAADRO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581946840 1075840234 /nfs/dbraw/zinc/84/02/34/1075840234.db2.gz AAEMADPTVLZEFP-MFKMUULPSA-N 1 0 392.445 -1.222 20 0 GAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581946842 1075840151 /nfs/dbraw/zinc/84/01/51/1075840151.db2.gz AAEMADPTVLZEFP-ZWNOBZJWSA-N 1 0 392.445 -1.222 20 0 GAADRO O=C([C@H]1CCS(=O)(=O)N1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581947796 1075840588 /nfs/dbraw/zinc/84/05/88/1075840588.db2.gz MYHXSQOTYFGYAX-CYBMUJFWSA-N 1 0 392.445 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388.432 -1.151 20 0 GAADRO O=C(CN1CCCCCC1=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582102617 1075872270 /nfs/dbraw/zinc/87/22/70/1075872270.db2.gz DUNNCRQNUIZMGK-GFCCVEGCSA-N 1 0 388.432 -1.025 20 0 GAADRO O=C(CN1CCCCCC1=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582102624 1075872118 /nfs/dbraw/zinc/87/21/18/1075872118.db2.gz DUNNCRQNUIZMGK-LBPRGKRZSA-N 1 0 388.432 -1.025 20 0 GAADRO O=C(CN1CCCNC1=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582102691 1075872111 /nfs/dbraw/zinc/87/21/11/1075872111.db2.gz IBRYHVDNZNMQIA-CYBMUJFWSA-N 1 0 388.432 -1.151 20 0 GAADRO O=C(CN1CCCNC1=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582102692 1075872326 /nfs/dbraw/zinc/87/23/26/1075872326.db2.gz IBRYHVDNZNMQIA-ZDUSSCGKSA-N 1 0 388.432 -1.151 20 0 GAADRO O=C(CN1CCCNC1=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582102694 1075872314 /nfs/dbraw/zinc/87/23/14/1075872314.db2.gz ICBOCQABCFQVKQ-UHFFFAOYSA-N 1 0 389.420 -1.668 20 0 GAADRO O=C(CN1CCCNC1=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 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O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@@H]1CCCO1 ZINC001582110304 1075882527 /nfs/dbraw/zinc/88/25/27/1075882527.db2.gz DDXHNCBBTXGRBO-NEPJUHHUSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@H]1CCCO1 ZINC001582110305 1075882594 /nfs/dbraw/zinc/88/25/94/1075882594.db2.gz DDXHNCBBTXGRBO-NWDGAFQWSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@@H]1CCCO1 ZINC001582110306 1075882495 /nfs/dbraw/zinc/88/24/95/1075882495.db2.gz DDXHNCBBTXGRBO-RYUDHWBXSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@H]1CCCO1 ZINC001582110307 1075882920 /nfs/dbraw/zinc/88/29/20/1075882920.db2.gz DDXHNCBBTXGRBO-VXGBXAGGSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@H]1CCCO1 ZINC001582110335 1075882848 /nfs/dbraw/zinc/88/28/48/1075882848.db2.gz DSUUSPUESUSYHR-GHMZBOCLSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@@H]1CCCO1 ZINC001582110336 1075882869 /nfs/dbraw/zinc/88/28/69/1075882869.db2.gz DSUUSPUESUSYHR-MNOVXSKESA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@@H]1CCCO1 ZINC001582110337 1075882894 /nfs/dbraw/zinc/88/28/94/1075882894.db2.gz DSUUSPUESUSYHR-QWRGUYRKSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@H]1CCCO1 ZINC001582110338 1075882801 /nfs/dbraw/zinc/88/28/01/1075882801.db2.gz DSUUSPUESUSYHR-WDEREUQCSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@H]1CCOC1 ZINC001582110349 1075882899 /nfs/dbraw/zinc/88/28/99/1075882899.db2.gz FLWZXVFFWUKPRF-GHMZBOCLSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@H]1CCOC1 ZINC001582110350 1075882887 /nfs/dbraw/zinc/88/28/87/1075882887.db2.gz FLWZXVFFWUKPRF-MNOVXSKESA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@@H]1CCOC1 ZINC001582110351 1075882820 /nfs/dbraw/zinc/88/28/20/1075882820.db2.gz FLWZXVFFWUKPRF-QWRGUYRKSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@@H]1CCOC1 ZINC001582110352 1075882856 /nfs/dbraw/zinc/88/28/56/1075882856.db2.gz FLWZXVFFWUKPRF-WDEREUQCSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@@H]1CCOC1 ZINC001582110361 1075882911 /nfs/dbraw/zinc/88/29/11/1075882911.db2.gz FSBTZBATQFBQPE-CMPLNLGQSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@@H]1CCOC1 ZINC001582110362 1075882879 /nfs/dbraw/zinc/88/28/79/1075882879.db2.gz FSBTZBATQFBQPE-JQWIXIFHSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@H]1CCOC1 ZINC001582110363 1075882907 /nfs/dbraw/zinc/88/29/07/1075882907.db2.gz FSBTZBATQFBQPE-PWSUYJOCSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@H]1CCOC1 ZINC001582110364 1075882812 /nfs/dbraw/zinc/88/28/12/1075882812.db2.gz FSBTZBATQFBQPE-ZYHUDNBSSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(F)(F)F ZINC001582110388 1075882864 /nfs/dbraw/zinc/88/28/64/1075882864.db2.gz GMVLHABXECDTJL-MRVPVSSYSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(F)(F)F ZINC001582110389 1075882792 /nfs/dbraw/zinc/88/27/92/1075882792.db2.gz GMVLHABXECDTJL-QMMMGPOBSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC1CCCC1 ZINC001582110414 1075882916 /nfs/dbraw/zinc/88/29/16/1075882916.db2.gz HKPICOVXICTGTA-GFCCVEGCSA-N 1 0 376.421 -1.066 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC1CCCC1 ZINC001582110415 1075882796 /nfs/dbraw/zinc/88/27/96/1075882796.db2.gz HKPICOVXICTGTA-LBPRGKRZSA-N 1 0 376.421 -1.066 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@@H]1CCCO1 ZINC001582110416 1075882816 /nfs/dbraw/zinc/88/28/16/1075882816.db2.gz HOVRUJUIWIQUKX-NEPJUHHUSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@H]1CCCO1 ZINC001582110417 1075882883 /nfs/dbraw/zinc/88/28/83/1075882883.db2.gz HOVRUJUIWIQUKX-NWDGAFQWSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@@H]1CCCO1 ZINC001582110418 1075883037 /nfs/dbraw/zinc/88/30/37/1075883037.db2.gz HOVRUJUIWIQUKX-RYUDHWBXSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@H]1CCCO1 ZINC001582110419 1075883028 /nfs/dbraw/zinc/88/30/28/1075883028.db2.gz HOVRUJUIWIQUKX-VXGBXAGGSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)NC(=O)NC1CC1 ZINC001582110432 1075883174 /nfs/dbraw/zinc/88/31/74/1075883174.db2.gz HXXJTQPAOKATSO-LLVKDONJSA-N 1 0 387.404 -1.013 20 0 GAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)NC(=O)NC1CC1 ZINC001582110433 1075883044 /nfs/dbraw/zinc/88/30/44/1075883044.db2.gz HXXJTQPAOKATSO-NSHDSACASA-N 1 0 387.404 -1.013 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(F)(F)F ZINC001582110434 1075883166 /nfs/dbraw/zinc/88/31/66/1075883166.db2.gz HYOJHPYXXPBUFT-MRVPVSSYSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(F)(F)F ZINC001582110435 1075883140 /nfs/dbraw/zinc/88/31/40/1075883140.db2.gz HYOJHPYXXPBUFT-QMMMGPOBSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@@H]1CCCO1 ZINC001582110441 1075883170 /nfs/dbraw/zinc/88/31/70/1075883170.db2.gz IMAJWLSEUQKAKI-NEPJUHHUSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@H]1CCCO1 ZINC001582110442 1075883006 /nfs/dbraw/zinc/88/30/06/1075883006.db2.gz IMAJWLSEUQKAKI-NWDGAFQWSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@@H]1CCCO1 ZINC001582110443 1075883070 /nfs/dbraw/zinc/88/30/70/1075883070.db2.gz IMAJWLSEUQKAKI-RYUDHWBXSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@H]1CCCO1 ZINC001582110444 1075883051 /nfs/dbraw/zinc/88/30/51/1075883051.db2.gz IMAJWLSEUQKAKI-VXGBXAGGSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC1CCOCC1 ZINC001582110445 1075883018 /nfs/dbraw/zinc/88/30/18/1075883018.db2.gz IQPDZKLGVBSAOA-GFCCVEGCSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC1CCOCC1 ZINC001582110446 1075883090 /nfs/dbraw/zinc/88/30/90/1075883090.db2.gz IQPDZKLGVBSAOA-LBPRGKRZSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC1CCC1 ZINC001582110447 1075883032 /nfs/dbraw/zinc/88/30/32/1075883032.db2.gz IUNAWCFOEOZMIF-LLVKDONJSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC1CCC1 ZINC001582110448 1075883129 /nfs/dbraw/zinc/88/31/29/1075883129.db2.gz IUNAWCFOEOZMIF-NSHDSACASA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC1CCCC1 ZINC001582110449 1075883161 /nfs/dbraw/zinc/88/31/61/1075883161.db2.gz IVVWUVWBNKIEBQ-GFCCVEGCSA-N 1 0 376.421 -1.066 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC1CCCC1 ZINC001582110450 1075883150 /nfs/dbraw/zinc/88/31/50/1075883150.db2.gz IVVWUVWBNKIEBQ-LBPRGKRZSA-N 1 0 376.421 -1.066 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@@H]1CCCO1 ZINC001582110451 1075883163 /nfs/dbraw/zinc/88/31/63/1075883163.db2.gz IXUGIAMBFUBOLE-NEPJUHHUSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@H]1CCCO1 ZINC001582110452 1075883157 /nfs/dbraw/zinc/88/31/57/1075883157.db2.gz IXUGIAMBFUBOLE-NWDGAFQWSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@@H]1CCCO1 ZINC001582110453 1075883134 /nfs/dbraw/zinc/88/31/34/1075883134.db2.gz IXUGIAMBFUBOLE-RYUDHWBXSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@H]1CCCO1 ZINC001582110454 1075883326 /nfs/dbraw/zinc/88/33/26/1075883326.db2.gz IXUGIAMBFUBOLE-VXGBXAGGSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCC1 ZINC001582110476 1075883371 /nfs/dbraw/zinc/88/33/71/1075883371.db2.gz JQGJFOAVZSTYPV-KRWDZBQOSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH2+][C@]1(CO)CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCC1 ZINC001582110477 1075883254 /nfs/dbraw/zinc/88/32/54/1075883254.db2.gz JQGJFOAVZSTYPV-QGZVFWFLSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@@H]1CCOC1 ZINC001582110481 1075883316 /nfs/dbraw/zinc/88/33/16/1075883316.db2.gz JURUFJZGQKYPJT-CMPLNLGQSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@@H]1CCOC1 ZINC001582110482 1075883277 /nfs/dbraw/zinc/88/32/77/1075883277.db2.gz JURUFJZGQKYPJT-JQWIXIFHSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@H]1CCOC1 ZINC001582110483 1075883336 /nfs/dbraw/zinc/88/33/36/1075883336.db2.gz JURUFJZGQKYPJT-PWSUYJOCSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC[C@H]1CCOC1 ZINC001582110484 1075883354 /nfs/dbraw/zinc/88/33/54/1075883354.db2.gz JURUFJZGQKYPJT-ZYHUDNBSSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC1CCC1 ZINC001582110511 1075883249 /nfs/dbraw/zinc/88/32/49/1075883249.db2.gz KXAWQEFMLIWFJD-GFCCVEGCSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC1CCC1 ZINC001582110512 1075883367 /nfs/dbraw/zinc/88/33/67/1075883367.db2.gz KXAWQEFMLIWFJD-LBPRGKRZSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@@H]1CCOC1 ZINC001582110533 1075883395 /nfs/dbraw/zinc/88/33/95/1075883395.db2.gz LODYRKZBYGZGGS-CMPLNLGQSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@@H]1CCOC1 ZINC001582110534 1075883386 /nfs/dbraw/zinc/88/33/86/1075883386.db2.gz LODYRKZBYGZGGS-JQWIXIFHSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@H]1CCOC1 ZINC001582110535 1075883265 /nfs/dbraw/zinc/88/32/65/1075883265.db2.gz LODYRKZBYGZGGS-PWSUYJOCSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC[C@H]1CCOC1 ZINC001582110536 1075883346 /nfs/dbraw/zinc/88/33/46/1075883346.db2.gz LODYRKZBYGZGGS-ZYHUDNBSSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(F)(F)F ZINC001582110559 1075883380 /nfs/dbraw/zinc/88/33/80/1075883380.db2.gz MLAFJSVIPYMKDL-SSDOTTSWSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(F)(F)F ZINC001582110560 1075883296 /nfs/dbraw/zinc/88/32/96/1075883296.db2.gz MLAFJSVIPYMKDL-ZETCQYMHSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC1CCOCC1 ZINC001582110568 1075883363 /nfs/dbraw/zinc/88/33/63/1075883363.db2.gz MTEKEBZLFPUANH-LLVKDONJSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC1CCOCC1 ZINC001582110569 1075883241 /nfs/dbraw/zinc/88/32/41/1075883241.db2.gz MTEKEBZLFPUANH-NSHDSACASA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@H]1CCCO1 ZINC001582110586 1075883290 /nfs/dbraw/zinc/88/32/90/1075883290.db2.gz NFOMRIAYNBHOBU-GHMZBOCLSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@@H]1CCCO1 ZINC001582110587 1075883331 /nfs/dbraw/zinc/88/33/31/1075883331.db2.gz NFOMRIAYNBHOBU-MNOVXSKESA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@@H]1CCCO1 ZINC001582110588 1075883583 /nfs/dbraw/zinc/88/35/83/1075883583.db2.gz NFOMRIAYNBHOBU-QWRGUYRKSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@H]1CCCO1 ZINC001582110589 1075883540 /nfs/dbraw/zinc/88/35/40/1075883540.db2.gz NFOMRIAYNBHOBU-WDEREUQCSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)NC(=O)NC1CC1 ZINC001582110606 1075883664 /nfs/dbraw/zinc/88/36/64/1075883664.db2.gz NPMCFWMICRDCFE-LLVKDONJSA-N 1 0 387.404 -1.013 20 0 GAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)NC(=O)NC1CC1 ZINC001582110607 1075883645 /nfs/dbraw/zinc/88/36/45/1075883645.db2.gz NPMCFWMICRDCFE-NSHDSACASA-N 1 0 387.404 -1.013 20 0 GAADRO O=C(C[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCC1 ZINC001582110645 1075883557 /nfs/dbraw/zinc/88/35/57/1075883557.db2.gz PHDSKTPKNMKUFH-KRWDZBQOSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCC1 ZINC001582110646 1075883530 /nfs/dbraw/zinc/88/35/30/1075883530.db2.gz PHDSKTPKNMKUFH-QGZVFWFLSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(F)(F)F ZINC001582110673 1075883620 /nfs/dbraw/zinc/88/36/20/1075883620.db2.gz QEZOBDGDMOZXOC-MRVPVSSYSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(F)(F)F ZINC001582110674 1075883566 /nfs/dbraw/zinc/88/35/66/1075883566.db2.gz QEZOBDGDMOZXOC-QMMMGPOBSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@H]1CCOC1 ZINC001582110676 1075883639 /nfs/dbraw/zinc/88/36/39/1075883639.db2.gz QFKXJHKNVXWFHE-GHMZBOCLSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@H]1CCOC1 ZINC001582110677 1075883524 /nfs/dbraw/zinc/88/35/24/1075883524.db2.gz QFKXJHKNVXWFHE-MNOVXSKESA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@@H]1CCOC1 ZINC001582110678 1075883601 /nfs/dbraw/zinc/88/36/01/1075883601.db2.gz QFKXJHKNVXWFHE-QWRGUYRKSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC[C@@H]1CCOC1 ZINC001582110679 1075883633 /nfs/dbraw/zinc/88/36/33/1075883633.db2.gz QFKXJHKNVXWFHE-WDEREUQCSA-N 1 0 392.420 -1.972 20 0 GAADRO O=C(C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCC1 ZINC001582110701 1075883545 /nfs/dbraw/zinc/88/35/45/1075883545.db2.gz QVRVTEKTCKZWGN-KRWDZBQOSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCC1 ZINC001582110702 1075883510 /nfs/dbraw/zinc/88/35/10/1075883510.db2.gz QVRVTEKTCKZWGN-QGZVFWFLSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC1CCC1 ZINC001582110755 1075883652 /nfs/dbraw/zinc/88/36/52/1075883652.db2.gz SMWVZOYJNXDAAM-LLVKDONJSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC1CCC1 ZINC001582110756 1075883672 /nfs/dbraw/zinc/88/36/72/1075883672.db2.gz SMWVZOYJNXDAAM-NSHDSACASA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC1CCC1 ZINC001582110810 1075883518 /nfs/dbraw/zinc/88/35/18/1075883518.db2.gz URGKNOWQHUFHRI-GFCCVEGCSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC1CCC1 ZINC001582110811 1075883577 /nfs/dbraw/zinc/88/35/77/1075883577.db2.gz URGKNOWQHUFHRI-LBPRGKRZSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC1CCCC1 ZINC001582110916 1075883610 /nfs/dbraw/zinc/88/36/10/1075883610.db2.gz XNQXFSDJQFYDHH-GFCCVEGCSA-N 1 0 376.421 -1.066 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC1CCCC1 ZINC001582110917 1075883589 /nfs/dbraw/zinc/88/35/89/1075883589.db2.gz XNQXFSDJQFYDHH-LBPRGKRZSA-N 1 0 376.421 -1.066 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(F)(F)F ZINC001582110931 1075883911 /nfs/dbraw/zinc/88/39/11/1075883911.db2.gz YATRHBWTIWGHCL-MRVPVSSYSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(F)(F)F ZINC001582110932 1075883847 /nfs/dbraw/zinc/88/38/47/1075883847.db2.gz YATRHBWTIWGHCL-QMMMGPOBSA-N 1 0 390.326 -1.446 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC1CCOCC1 ZINC001582110936 1075883871 /nfs/dbraw/zinc/88/38/71/1075883871.db2.gz YFSNKCMFHZDEBS-GFCCVEGCSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC1CCOCC1 ZINC001582110937 1075883805 /nfs/dbraw/zinc/88/38/05/1075883805.db2.gz YFSNKCMFHZDEBS-LBPRGKRZSA-N 1 0 392.420 -1.830 20 0 GAADRO O=C(C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)N1CCC1 ZINC001582112119 1075883770 /nfs/dbraw/zinc/88/37/70/1075883770.db2.gz QKTOXFJPTJCNIW-UHFFFAOYSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH2+]CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)N1CCCC1 ZINC001582112123 1075883764 /nfs/dbraw/zinc/88/37/64/1075883764.db2.gz QPCGCKKPMGSSMM-UHFFFAOYSA-N 1 0 389.420 -1.747 20 0 GAADRO O=C(C[NH2+]CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)N1CCCC1 ZINC001582112161 1075883792 /nfs/dbraw/zinc/88/37/92/1075883792.db2.gz SBMIJUUKXRROJJ-UHFFFAOYSA-N 1 0 389.420 -1.747 20 0 GAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)NC(=O)NC1CC1 ZINC001582112292 1075883914 /nfs/dbraw/zinc/88/39/14/1075883914.db2.gz FGUPRAJYPDVMQY-JTQLQIEISA-N 1 0 387.404 -1.013 20 0 GAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)NC(=O)NC1CC1 ZINC001582112293 1075883940 /nfs/dbraw/zinc/88/39/40/1075883940.db2.gz FGUPRAJYPDVMQY-SNVBAGLBSA-N 1 0 387.404 -1.013 20 0 GAADRO O=C(CO[C@@H]1CCOC1)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582117998 1075884605 /nfs/dbraw/zinc/88/46/05/1075884605.db2.gz MWQJIGACFVZCKK-GFCCVEGCSA-N 1 0 377.405 -1.278 20 0 GAADRO O=C(CO[C@H]1CCOC1)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582118000 1075884533 /nfs/dbraw/zinc/88/45/33/1075884533.db2.gz MWQJIGACFVZCKK-LBPRGKRZSA-N 1 0 377.405 -1.278 20 0 GAADRO O=C(COC[C@@H]1CCCO1)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582125982 1075887870 /nfs/dbraw/zinc/88/78/70/1075887870.db2.gz DULNLQQZIQNIJU-NEPJUHHUSA-N 1 0 377.405 -1.232 20 0 GAADRO O=C(COC[C@H]1CCCO1)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582125983 1075887785 /nfs/dbraw/zinc/88/77/85/1075887785.db2.gz DULNLQQZIQNIJU-NWDGAFQWSA-N 1 0 377.405 -1.232 20 0 GAADRO O=C(COC[C@@H]1CCCO1)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582125984 1075887711 /nfs/dbraw/zinc/88/77/11/1075887711.db2.gz DULNLQQZIQNIJU-RYUDHWBXSA-N 1 0 377.405 -1.232 20 0 GAADRO O=C(COC[C@H]1CCCO1)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582125985 1075887945 /nfs/dbraw/zinc/88/79/45/1075887945.db2.gz DULNLQQZIQNIJU-VXGBXAGGSA-N 1 0 377.405 -1.232 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582179704 1075890314 /nfs/dbraw/zinc/89/03/14/1075890314.db2.gz AGKXIRJXBBHBKF-JTQLQIEISA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582179705 1075890408 /nfs/dbraw/zinc/89/04/08/1075890408.db2.gz AGKXIRJXBBHBKF-SNVBAGLBSA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582179718 1075890305 /nfs/dbraw/zinc/89/03/05/1075890305.db2.gz AXHMYPZSXURCEG-JTQLQIEISA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582179719 1075890397 /nfs/dbraw/zinc/89/03/97/1075890397.db2.gz AXHMYPZSXURCEG-SNVBAGLBSA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582179732 1075890232 /nfs/dbraw/zinc/89/02/32/1075890232.db2.gz BDXLZGUSBRIKQP-JTQLQIEISA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582179733 1075890362 /nfs/dbraw/zinc/89/03/62/1075890362.db2.gz BDXLZGUSBRIKQP-SNVBAGLBSA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582179793 1075890645 /nfs/dbraw/zinc/89/06/45/1075890645.db2.gz DHIMXYNHIRWEBJ-LLVKDONJSA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582179794 1075890620 /nfs/dbraw/zinc/89/06/20/1075890620.db2.gz DHIMXYNHIRWEBJ-NSHDSACASA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582179885 1075890595 /nfs/dbraw/zinc/89/05/95/1075890595.db2.gz DKNOKPGQMKASFR-LLVKDONJSA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582179886 1075890579 /nfs/dbraw/zinc/89/05/79/1075890579.db2.gz DKNOKPGQMKASFR-NSHDSACASA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582180811 1075890924 /nfs/dbraw/zinc/89/09/24/1075890924.db2.gz VQWCYGIPXNTMKT-LLVKDONJSA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582180812 1075890809 /nfs/dbraw/zinc/89/08/09/1075890809.db2.gz VQWCYGIPXNTMKT-NSHDSACASA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582180842 1075890830 /nfs/dbraw/zinc/89/08/30/1075890830.db2.gz WTJVTZZGKPTLIK-LLVKDONJSA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582180843 1075890900 /nfs/dbraw/zinc/89/09/00/1075890900.db2.gz WTJVTZZGKPTLIK-NSHDSACASA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582180923 1075891281 /nfs/dbraw/zinc/89/12/81/1075891281.db2.gz ZBUQQRTZGARFSW-JTQLQIEISA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cc1nc[nH]n1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582180924 1075891249 /nfs/dbraw/zinc/89/12/49/1075891249.db2.gz ZBUQQRTZGARFSW-SNVBAGLBSA-N 1 0 375.368 -1.067 20 0 GAADRO O=C(Cn1cc(C2CC2)nn1)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582189224 1075896034 /nfs/dbraw/zinc/89/60/34/1075896034.db2.gz CIDFWMAVBXAHPO-LLVKDONJSA-N 1 0 384.404 -1.258 20 0 GAADRO O=C(Cn1cc(C2CC2)nn1)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582189225 1075895963 /nfs/dbraw/zinc/89/59/63/1075895963.db2.gz CIDFWMAVBXAHPO-NSHDSACASA-N 1 0 384.404 -1.258 20 0 GAADRO O=C(Cn1cc(C2CC2)nn1)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582189796 1075895992 /nfs/dbraw/zinc/89/59/92/1075895992.db2.gz UKNZEDKDPJTFOY-LLVKDONJSA-N 1 0 384.404 -1.258 20 0 GAADRO O=C(Cn1cc(C2CC2)nn1)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582189797 1075896095 /nfs/dbraw/zinc/89/60/95/1075896095.db2.gz UKNZEDKDPJTFOY-NSHDSACASA-N 1 0 384.404 -1.258 20 0 GAADRO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582192081 1075896992 /nfs/dbraw/zinc/89/69/92/1075896992.db2.gz NNBXUHYSTSGLEY-MGCOHNPYSA-N 1 0 383.372 -1.295 20 0 GAADRO O=C(Cn1ccccc1=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582192371 1075897317 /nfs/dbraw/zinc/89/73/17/1075897317.db2.gz WMDRAJAEPHZNPK-UHFFFAOYSA-N 1 0 384.400 -1.222 20 0 GAADRO O=C(Cn1ccc(=O)[nH]c1=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582192393 1075897341 /nfs/dbraw/zinc/89/73/41/1075897341.db2.gz XNLLSBGRCRXYKV-UHFFFAOYSA-N 1 0 383.372 -1.293 20 0 GAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582192574 1075897448 /nfs/dbraw/zinc/89/74/48/1075897448.db2.gz ZVEGVBYHBNIOGZ-JTQLQIEISA-N 1 0 383.372 -1.341 20 0 GAADRO O=C(Cn1cncn1)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582199599 1075900090 /nfs/dbraw/zinc/90/00/90/1075900090.db2.gz QSXXJLSSMPEMHP-UHFFFAOYSA-N 1 0 384.404 -1.259 20 0 GAADRO O=C(Cn1cncn1)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582200560 1075900348 /nfs/dbraw/zinc/90/03/48/1075900348.db2.gz ZNEUUGKYPPQUPC-INIZCTEOSA-N 1 0 384.404 -1.259 20 0 GAADRO O=C(Cn1cncn1)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582200561 1075900363 /nfs/dbraw/zinc/90/03/63/1075900363.db2.gz ZNEUUGKYPPQUPC-MRXNPFEDSA-N 1 0 384.404 -1.259 20 0 GAADRO O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582200580 1075900335 /nfs/dbraw/zinc/90/03/35/1075900335.db2.gz AFZKPAQQIWHQKW-GFCCVEGCSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582200581 1075900406 /nfs/dbraw/zinc/90/04/06/1075900406.db2.gz AFZKPAQQIWHQKW-LBPRGKRZSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582200617 1075901032 /nfs/dbraw/zinc/90/10/32/1075901032.db2.gz BETSXZXJNNEYKN-GFCCVEGCSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582200618 1075900869 /nfs/dbraw/zinc/90/08/69/1075900869.db2.gz BETSXZXJNNEYKN-LBPRGKRZSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582200645 1075900961 /nfs/dbraw/zinc/90/09/61/1075900961.db2.gz BUGYZWOJLRURFC-GFCCVEGCSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582200646 1075900915 /nfs/dbraw/zinc/90/09/15/1075900915.db2.gz BUGYZWOJLRURFC-LBPRGKRZSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582200897 1075900929 /nfs/dbraw/zinc/90/09/29/1075900929.db2.gz KTOSBEJIJCVTMO-LLVKDONJSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582200898 1075901079 /nfs/dbraw/zinc/90/10/79/1075901079.db2.gz KTOSBEJIJCVTMO-NSHDSACASA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582201075 1075901937 /nfs/dbraw/zinc/90/19/37/1075901937.db2.gz PMBUPPCEGLMPET-GFCCVEGCSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582201076 1075901790 /nfs/dbraw/zinc/90/17/90/1075901790.db2.gz PMBUPPCEGLMPET-LBPRGKRZSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582201375 1075901820 /nfs/dbraw/zinc/90/18/20/1075901820.db2.gz XMQCHAQFGBRQTD-LLVKDONJSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582201376 1075901831 /nfs/dbraw/zinc/90/18/31/1075901831.db2.gz XMQCHAQFGBRQTD-NSHDSACASA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582201464 1075902330 /nfs/dbraw/zinc/90/23/30/1075902330.db2.gz ZNBFDEIEGAGLFA-LLVKDONJSA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cncn1)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582201465 1075902358 /nfs/dbraw/zinc/90/23/58/1075902358.db2.gz ZNBFDEIEGAGLFA-NSHDSACASA-N 1 0 375.368 -1.136 20 0 GAADRO O=C(Cn1cnnn1)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582201836 1075902912 /nfs/dbraw/zinc/90/29/12/1075902912.db2.gz TZSJARDPRHYMGK-UHFFFAOYSA-N 1 0 390.383 -1.397 20 0 GAADRO O=C(Cn1cnnn1)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582202117 1075903884 /nfs/dbraw/zinc/90/38/84/1075903884.db2.gz IDYCMJCERXUJDP-UHFFFAOYSA-N 1 0 385.392 -1.864 20 0 GAADRO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582202126 1075903812 /nfs/dbraw/zinc/90/38/12/1075903812.db2.gz INXPSAOXDRQJKT-AWEZNQCLSA-N 1 0 384.404 -1.130 20 0 GAADRO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582202127 1075903660 /nfs/dbraw/zinc/90/36/60/1075903660.db2.gz INXPSAOXDRQJKT-CQSZACIVSA-N 1 0 384.404 -1.130 20 0 GAADRO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582202196 1075904133 /nfs/dbraw/zinc/90/41/33/1075904133.db2.gz LDXNOTDWWHJQSM-JTQLQIEISA-N 1 0 390.433 -1.068 20 0 GAADRO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582202197 1075904329 /nfs/dbraw/zinc/90/43/29/1075904329.db2.gz LDXNOTDWWHJQSM-SNVBAGLBSA-N 1 0 390.433 -1.068 20 0 GAADRO O=C(Cn1cnnn1)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582202412 1075905073 /nfs/dbraw/zinc/90/50/73/1075905073.db2.gz VDWKCYOEOBFNSJ-LLVKDONJSA-N 1 0 385.392 -1.600 20 0 GAADRO O=C(Cn1cnnn1)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582202413 1075905311 /nfs/dbraw/zinc/90/53/11/1075905311.db2.gz VDWKCYOEOBFNSJ-NSHDSACASA-N 1 0 385.392 -1.600 20 0 GAADRO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582202487 1075905259 /nfs/dbraw/zinc/90/52/59/1075905259.db2.gz YLCBCBWLOJBKQA-AWEZNQCLSA-N 1 0 384.404 -1.130 20 0 GAADRO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582202488 1075905836 /nfs/dbraw/zinc/90/58/36/1075905836.db2.gz YLCBCBWLOJBKQA-CQSZACIVSA-N 1 0 384.404 -1.130 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582204161 1075906931 /nfs/dbraw/zinc/90/69/31/1075906931.db2.gz DGKZZHJKYQKDKS-JTQLQIEISA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582204162 1075906807 /nfs/dbraw/zinc/90/68/07/1075906807.db2.gz DGKZZHJKYQKDKS-SNVBAGLBSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582204190 1075906740 /nfs/dbraw/zinc/90/67/40/1075906740.db2.gz FNMOVRZBRWLKFT-KBPBESRZSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582204191 1075906767 /nfs/dbraw/zinc/90/67/67/1075906767.db2.gz FNMOVRZBRWLKFT-KGLIPLIRSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001582204192 1075906798 /nfs/dbraw/zinc/90/67/98/1075906798.db2.gz FNMOVRZBRWLKFT-UONOGXRCSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001582204193 1075906922 /nfs/dbraw/zinc/90/69/22/1075906922.db2.gz FNMOVRZBRWLKFT-ZIAGYGMSSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582204252 1075907186 /nfs/dbraw/zinc/90/71/86/1075907186.db2.gz HCMKULLTCCKNAG-INIZCTEOSA-N 1 0 384.404 -1.394 20 0 GAADRO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582204253 1075907371 /nfs/dbraw/zinc/90/73/71/1075907371.db2.gz HCMKULLTCCKNAG-MRXNPFEDSA-N 1 0 384.404 -1.394 20 0 GAADRO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582204278 1075907247 /nfs/dbraw/zinc/90/72/47/1075907247.db2.gz HZYXMHDTZQVNMR-LLVKDONJSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582204279 1075907253 /nfs/dbraw/zinc/90/72/53/1075907253.db2.gz HZYXMHDTZQVNMR-NSHDSACASA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582204289 1075907732 /nfs/dbraw/zinc/90/77/32/1075907732.db2.gz IEJMFIAKNHFLBK-GHMZBOCLSA-N 1 0 390.433 -1.334 20 0 GAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582204290 1075907603 /nfs/dbraw/zinc/90/76/03/1075907603.db2.gz IEJMFIAKNHFLBK-MNOVXSKESA-N 1 0 390.433 -1.334 20 0 GAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582204291 1075907693 /nfs/dbraw/zinc/90/76/93/1075907693.db2.gz IEJMFIAKNHFLBK-QWRGUYRKSA-N 1 0 390.433 -1.334 20 0 GAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582204292 1075907628 /nfs/dbraw/zinc/90/76/28/1075907628.db2.gz IEJMFIAKNHFLBK-WDEREUQCSA-N 1 0 390.433 -1.334 20 0 GAADRO O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582204293 1075907786 /nfs/dbraw/zinc/90/77/86/1075907786.db2.gz IELKQLCPHLXUFZ-LLVKDONJSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582204294 1075907796 /nfs/dbraw/zinc/90/77/96/1075907796.db2.gz IELKQLCPHLXUFZ-NSHDSACASA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582204295 1075907808 /nfs/dbraw/zinc/90/78/08/1075907808.db2.gz IESVBNJMWAGGHY-LLVKDONJSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582204296 1075907743 /nfs/dbraw/zinc/90/77/43/1075907743.db2.gz IESVBNJMWAGGHY-NSHDSACASA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582204345 1075907623 /nfs/dbraw/zinc/90/76/23/1075907623.db2.gz IUVAKYJJBQUKJW-JTQLQIEISA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582204346 1075907688 /nfs/dbraw/zinc/90/76/88/1075907688.db2.gz IUVAKYJJBQUKJW-SNVBAGLBSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582204384 1075908145 /nfs/dbraw/zinc/90/81/45/1075908145.db2.gz JTCJLYYPNVKSGW-INIZCTEOSA-N 1 0 384.404 -1.394 20 0 GAADRO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582204385 1075908248 /nfs/dbraw/zinc/90/82/48/1075908248.db2.gz JTCJLYYPNVKSGW-MRXNPFEDSA-N 1 0 384.404 -1.394 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582204392 1075908254 /nfs/dbraw/zinc/90/82/54/1075908254.db2.gz KEPNOCFDWASKOT-JTQLQIEISA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582204393 1075908097 /nfs/dbraw/zinc/90/80/97/1075908097.db2.gz KEPNOCFDWASKOT-SNVBAGLBSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001582204527 1075908699 /nfs/dbraw/zinc/90/86/99/1075908699.db2.gz MXXCBVXERTZJFR-KBPBESRZSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001582204528 1075908656 /nfs/dbraw/zinc/90/86/56/1075908656.db2.gz MXXCBVXERTZJFR-KGLIPLIRSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001582204529 1075908646 /nfs/dbraw/zinc/90/86/46/1075908646.db2.gz MXXCBVXERTZJFR-UONOGXRCSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001582204530 1075908684 /nfs/dbraw/zinc/90/86/84/1075908684.db2.gz MXXCBVXERTZJFR-ZIAGYGMSSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582204676 1075909081 /nfs/dbraw/zinc/90/90/81/1075909081.db2.gz QMUVJFBNFQUMRE-JTQLQIEISA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582204677 1075909058 /nfs/dbraw/zinc/90/90/58/1075909058.db2.gz QMUVJFBNFQUMRE-SNVBAGLBSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582204758 1075909279 /nfs/dbraw/zinc/90/92/79/1075909279.db2.gz SKJRSJRTXWICAR-AWEZNQCLSA-N 1 0 390.433 -1.332 20 0 GAADRO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582204759 1075909030 /nfs/dbraw/zinc/90/90/30/1075909030.db2.gz SKJRSJRTXWICAR-CQSZACIVSA-N 1 0 390.433 -1.332 20 0 GAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582204922 1075909546 /nfs/dbraw/zinc/90/95/46/1075909546.db2.gz WWFYVTARYTXYOV-KBPBESRZSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582204923 1075909640 /nfs/dbraw/zinc/90/96/40/1075909640.db2.gz WWFYVTARYTXYOV-KGLIPLIRSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582204924 1075909600 /nfs/dbraw/zinc/90/96/00/1075909600.db2.gz WWFYVTARYTXYOV-UONOGXRCSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582204925 1075909649 /nfs/dbraw/zinc/90/96/49/1075909649.db2.gz WWFYVTARYTXYOV-ZIAGYGMSSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582204954 1075909706 /nfs/dbraw/zinc/90/97/06/1075909706.db2.gz XPISHJMVRSSWOZ-LLVKDONJSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582204955 1075909625 /nfs/dbraw/zinc/90/96/25/1075909625.db2.gz XPISHJMVRSSWOZ-NSHDSACASA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582205133 1075909920 /nfs/dbraw/zinc/90/99/20/1075909920.db2.gz HEDXVDAWOBVUSC-UHFFFAOYSA-N 1 0 385.392 -1.864 20 0 GAADRO O=C(Cn1ncnn1)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582205141 1075910001 /nfs/dbraw/zinc/91/00/01/1075910001.db2.gz HPODEBLWSRBPLG-LLVKDONJSA-N 1 0 385.392 -1.600 20 0 GAADRO O=C(Cn1ncnn1)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582205142 1075910080 /nfs/dbraw/zinc/91/00/80/1075910080.db2.gz HPODEBLWSRBPLG-NSHDSACASA-N 1 0 385.392 -1.600 20 0 GAADRO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582205238 1075910599 /nfs/dbraw/zinc/91/05/99/1075910599.db2.gz LJSRIKUCDMCQIT-JTQLQIEISA-N 1 0 390.433 -1.068 20 0 GAADRO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582205239 1075910497 /nfs/dbraw/zinc/91/04/97/1075910497.db2.gz LJSRIKUCDMCQIT-SNVBAGLBSA-N 1 0 390.433 -1.068 20 0 GAADRO O=C(Cn1ncnn1)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582205404 1075911509 /nfs/dbraw/zinc/91/15/09/1075911509.db2.gz SFPVFODVGWWBKN-HNNXBMFYSA-N 1 0 385.392 -1.864 20 0 GAADRO O=C(Cn1ncnn1)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582205405 1075911358 /nfs/dbraw/zinc/91/13/58/1075911358.db2.gz SFPVFODVGWWBKN-OAHLLOKOSA-N 1 0 385.392 -1.864 20 0 GAADRO O=C(Cn1ncnn1)NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582205605 1075912070 /nfs/dbraw/zinc/91/20/70/1075912070.db2.gz BKHJUZKJAHAOPH-UHFFFAOYSA-N 1 0 385.392 -1.604 20 0 GAADRO O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582205640 1075912383 /nfs/dbraw/zinc/91/23/83/1075912383.db2.gz CFRSCXJKDNFIRH-LLVKDONJSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582205641 1075912603 /nfs/dbraw/zinc/91/26/03/1075912603.db2.gz CFRSCXJKDNFIRH-NSHDSACASA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582205651 1075912507 /nfs/dbraw/zinc/91/25/07/1075912507.db2.gz CSMXQLFAOBBPGH-INIZCTEOSA-N 1 0 384.404 -1.394 20 0 GAADRO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582205652 1075912553 /nfs/dbraw/zinc/91/25/53/1075912553.db2.gz CSMXQLFAOBBPGH-MRXNPFEDSA-N 1 0 384.404 -1.394 20 0 GAADRO O=C(Cn1ncnn1)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582205760 1075912500 /nfs/dbraw/zinc/91/25/00/1075912500.db2.gz GVXAZWFHHWWTKV-JTQLQIEISA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582205761 1075912505 /nfs/dbraw/zinc/91/25/05/1075912505.db2.gz GVXAZWFHHWWTKV-SNVBAGLBSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582205809 1075913074 /nfs/dbraw/zinc/91/30/74/1075913074.db2.gz IDBNECUNUZWZCZ-LLVKDONJSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582205810 1075913056 /nfs/dbraw/zinc/91/30/56/1075913056.db2.gz IDBNECUNUZWZCZ-NSHDSACASA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582206194 1075913552 /nfs/dbraw/zinc/91/35/52/1075913552.db2.gz NGNDKQHLDWWNPO-JTQLQIEISA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582206195 1075913506 /nfs/dbraw/zinc/91/35/06/1075913506.db2.gz NGNDKQHLDWWNPO-SNVBAGLBSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582206212 1075913473 /nfs/dbraw/zinc/91/34/73/1075913473.db2.gz NXAKDWVFPHINJH-JTQLQIEISA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582206213 1075913516 /nfs/dbraw/zinc/91/35/16/1075913516.db2.gz NXAKDWVFPHINJH-SNVBAGLBSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582206220 1075913886 /nfs/dbraw/zinc/91/38/86/1075913886.db2.gz OFQQCPUOJIZRQL-LLVKDONJSA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582206221 1075913972 /nfs/dbraw/zinc/91/39/72/1075913972.db2.gz OFQQCPUOJIZRQL-NSHDSACASA-N 1 0 376.356 -1.741 20 0 GAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582206363 1075913820 /nfs/dbraw/zinc/91/38/20/1075913820.db2.gz POOTWCVHFVUTGZ-KBPBESRZSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582206364 1075914039 /nfs/dbraw/zinc/91/40/39/1075914039.db2.gz POOTWCVHFVUTGZ-KGLIPLIRSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001582206365 1075914017 /nfs/dbraw/zinc/91/40/17/1075914017.db2.gz POOTWCVHFVUTGZ-UONOGXRCSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001582206366 1075913896 /nfs/dbraw/zinc/91/38/96/1075913896.db2.gz POOTWCVHFVUTGZ-ZIAGYGMSSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582206418 1075913984 /nfs/dbraw/zinc/91/39/84/1075913984.db2.gz RKPVLVVUJJCLSX-JTQLQIEISA-N 1 0 376.356 -1.741 20 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ZINC001582206576 1075913903 /nfs/dbraw/zinc/91/39/03/1075913903.db2.gz TZXGMKMIJKORLI-UHFFFAOYSA-N 1 0 385.392 -1.552 20 0 GAADRO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582206808 1075914299 /nfs/dbraw/zinc/91/42/99/1075914299.db2.gz WQKNEQNNRRECFB-AWEZNQCLSA-N 1 0 390.433 -1.332 20 0 GAADRO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582206810 1075914383 /nfs/dbraw/zinc/91/43/83/1075914383.db2.gz WQKNEQNNRRECFB-CQSZACIVSA-N 1 0 390.433 -1.332 20 0 GAADRO O=C(N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582224205 1075916644 /nfs/dbraw/zinc/91/66/44/1075916644.db2.gz IRRNQKUQAIKGDZ-CHWSQXEVSA-N 1 0 392.445 -1.318 20 0 GAADRO O=C(N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582224206 1075916848 /nfs/dbraw/zinc/91/68/48/1075916848.db2.gz IRRNQKUQAIKGDZ-OLZOCXBDSA-N 1 0 392.445 -1.318 20 0 GAADRO O=C(N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582224207 1075916785 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/nfs/dbraw/zinc/91/70/29/1075917029.db2.gz CZPQOPSGAHYNEP-VXGBXAGGSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582230640 1075917293 /nfs/dbraw/zinc/91/72/93/1075917293.db2.gz ITZHTPPHFLGTKZ-CHWSQXEVSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582230641 1075917136 /nfs/dbraw/zinc/91/71/36/1075917136.db2.gz ITZHTPPHFLGTKZ-OLZOCXBDSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582230642 1075917056 /nfs/dbraw/zinc/91/70/56/1075917056.db2.gz ITZHTPPHFLGTKZ-QWHCGFSZSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582230643 1075917273 /nfs/dbraw/zinc/91/72/73/1075917273.db2.gz ITZHTPPHFLGTKZ-STQMWFEESA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582230647 1075917079 /nfs/dbraw/zinc/91/70/79/1075917079.db2.gz IYNLRYKJBGQUFZ-CHWSQXEVSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582230648 1075917038 /nfs/dbraw/zinc/91/70/38/1075917038.db2.gz IYNLRYKJBGQUFZ-OLZOCXBDSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582230649 1075917098 /nfs/dbraw/zinc/91/70/98/1075917098.db2.gz IYNLRYKJBGQUFZ-QWHCGFSZSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582230650 1075917169 /nfs/dbraw/zinc/91/71/69/1075917169.db2.gz IYNLRYKJBGQUFZ-STQMWFEESA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582231515 1075917754 /nfs/dbraw/zinc/91/77/54/1075917754.db2.gz CLDKOWWXLNGOJB-UHFFFAOYSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582232530 1075918426 /nfs/dbraw/zinc/91/84/26/1075918426.db2.gz MVSACSQZIXGIMV-UHFFFAOYSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582233036 1075918438 /nfs/dbraw/zinc/91/84/38/1075918438.db2.gz QYINGBMGRLPNFM-UHFFFAOYSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(N[C@@]1(CO)CCC[N@@H+](CCOCCO)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582241542 1075920390 /nfs/dbraw/zinc/92/03/90/1075920390.db2.gz IOVZHONOAPHLKC-INIZCTEOSA-N 1 0 379.421 -1.240 20 0 GAADRO O=C(N[C@]1(CO)CCC[N@@H+](CCOCCO)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582241543 1075920302 /nfs/dbraw/zinc/92/03/02/1075920302.db2.gz IOVZHONOAPHLKC-MRXNPFEDSA-N 1 0 379.421 -1.240 20 0 GAADRO O=C(NC1(CO)CC[NH+](CCOCCO)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582243682 1075921443 /nfs/dbraw/zinc/92/14/43/1075921443.db2.gz SFRAJLGVFOOWIZ-UHFFFAOYSA-N 1 0 379.421 -1.240 20 0 GAADRO O=C(NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001582259281 1075921955 /nfs/dbraw/zinc/92/19/55/1075921955.db2.gz BCVQCWIXOCWUBI-SRHKJQAYSA-N 1 0 392.445 -1.318 20 0 GAADRO O=C(NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001582259282 1075922024 /nfs/dbraw/zinc/92/20/24/1075922024.db2.gz BCVQCWIXOCWUBI-ZPPKWKGLSA-N 1 0 392.445 -1.318 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303454 1075923845 /nfs/dbraw/zinc/92/38/45/1075923845.db2.gz JYDCRLYBVMQOHL-GXTWGEPZSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303455 1075923934 /nfs/dbraw/zinc/92/39/34/1075923934.db2.gz JYDCRLYBVMQOHL-JSGCOSHPSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303456 1075923810 /nfs/dbraw/zinc/92/38/10/1075923810.db2.gz JYDCRLYBVMQOHL-OCCSQVGLSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303457 1075923833 /nfs/dbraw/zinc/92/38/33/1075923833.db2.gz JYDCRLYBVMQOHL-TZMCWYRMSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001582303858 1075924265 /nfs/dbraw/zinc/92/42/65/1075924265.db2.gz VVEFLBPTQDJPMC-GXTWGEPZSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582303859 1075925002 /nfs/dbraw/zinc/92/50/02/1075925002.db2.gz VVEFLBPTQDJPMC-JSGCOSHPSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582303860 1075924950 /nfs/dbraw/zinc/92/49/50/1075924950.db2.gz VVEFLBPTQDJPMC-OCCSQVGLSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001582303861 1075924806 /nfs/dbraw/zinc/92/48/06/1075924806.db2.gz VVEFLBPTQDJPMC-TZMCWYRMSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582303886 1075924904 /nfs/dbraw/zinc/92/49/04/1075924904.db2.gz WRBPYOORDHRGKM-BXUZGUMPSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582303887 1075924887 /nfs/dbraw/zinc/92/48/87/1075924887.db2.gz WRBPYOORDHRGKM-FZMZJTMJSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582303888 1075924954 /nfs/dbraw/zinc/92/49/54/1075924954.db2.gz WRBPYOORDHRGKM-RISCZKNCSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582303889 1075924946 /nfs/dbraw/zinc/92/49/46/1075924946.db2.gz WRBPYOORDHRGKM-SMDDNHRTSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582307489 1075929475 /nfs/dbraw/zinc/92/94/75/1075929475.db2.gz CKENADDSHIJBMF-GWCFXTLKSA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582307490 1075929467 /nfs/dbraw/zinc/92/94/67/1075929467.db2.gz CKENADDSHIJBMF-GXFFZTMASA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582307491 1075929395 /nfs/dbraw/zinc/92/93/95/1075929395.db2.gz CKENADDSHIJBMF-MFKMUULPSA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582307492 1075929270 /nfs/dbraw/zinc/92/92/70/1075929270.db2.gz CKENADDSHIJBMF-ZWNOBZJWSA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582307983 1075929784 /nfs/dbraw/zinc/92/97/84/1075929784.db2.gz FQFIABRVZNBVNG-OLZOCXBDSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582307984 1075929730 /nfs/dbraw/zinc/92/97/30/1075929730.db2.gz FQFIABRVZNBVNG-STQMWFEESA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308074 1075929862 /nfs/dbraw/zinc/92/98/62/1075929862.db2.gz NABGIVVWXPWEHQ-AAEUAGOBSA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308075 1075929831 /nfs/dbraw/zinc/92/98/31/1075929831.db2.gz NABGIVVWXPWEHQ-DGCLKSJQSA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308076 1075929887 /nfs/dbraw/zinc/92/98/87/1075929887.db2.gz NABGIVVWXPWEHQ-WCQYABFASA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308077 1075929699 /nfs/dbraw/zinc/92/96/99/1075929699.db2.gz NABGIVVWXPWEHQ-YPMHNXCESA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308317 1075929651 /nfs/dbraw/zinc/92/96/51/1075929651.db2.gz JDJVXPRKVHYGCP-OLZOCXBDSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582308318 1075929930 /nfs/dbraw/zinc/92/99/30/1075929930.db2.gz JDJVXPRKVHYGCP-STQMWFEESA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582308613 1075929899 /nfs/dbraw/zinc/92/98/99/1075929899.db2.gz SAYXRRMPKOXSKL-AAEUAGOBSA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582308614 1075929844 /nfs/dbraw/zinc/92/98/44/1075929844.db2.gz SAYXRRMPKOXSKL-DGCLKSJQSA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582308615 1075930321 /nfs/dbraw/zinc/93/03/21/1075930321.db2.gz SAYXRRMPKOXSKL-WCQYABFASA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582308616 1075930312 /nfs/dbraw/zinc/93/03/12/1075930312.db2.gz SAYXRRMPKOXSKL-YPMHNXCESA-N 1 0 389.420 -1.615 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582308938 1075930496 /nfs/dbraw/zinc/93/04/96/1075930496.db2.gz SQCMBRAZTLHOJS-NEPJUHHUSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582308940 1075930426 /nfs/dbraw/zinc/93/04/26/1075930426.db2.gz SQCMBRAZTLHOJS-RYUDHWBXSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320557 1075931947 /nfs/dbraw/zinc/93/19/47/1075931947.db2.gz HWHRSVOJRLMHLH-AAEUAGOBSA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320558 1075932080 /nfs/dbraw/zinc/93/20/80/1075932080.db2.gz HWHRSVOJRLMHLH-DGCLKSJQSA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582320559 1075932089 /nfs/dbraw/zinc/93/20/89/1075932089.db2.gz HWHRSVOJRLMHLH-WCQYABFASA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582320560 1075932132 /nfs/dbraw/zinc/93/21/32/1075932132.db2.gz HWHRSVOJRLMHLH-YPMHNXCESA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582323706 1075932640 /nfs/dbraw/zinc/93/26/40/1075932640.db2.gz GPHMHOBBOWGQPK-AAEUAGOBSA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582323707 1075932366 /nfs/dbraw/zinc/93/23/66/1075932366.db2.gz GPHMHOBBOWGQPK-DGCLKSJQSA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001582323708 1075932439 /nfs/dbraw/zinc/93/24/39/1075932439.db2.gz GPHMHOBBOWGQPK-WCQYABFASA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001582323709 1075932535 /nfs/dbraw/zinc/93/25/35/1075932535.db2.gz GPHMHOBBOWGQPK-YPMHNXCESA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(CNC(=O)C1CC1)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582338393 1075934419 /nfs/dbraw/zinc/93/44/19/1075934419.db2.gz FBDLHGIIBSKJNR-GFCCVEGCSA-N 1 0 386.416 -1.151 20 0 GAADRO O=C(CNC(=O)C1CC1)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582338396 1075934373 /nfs/dbraw/zinc/93/43/73/1075934373.db2.gz FBDLHGIIBSKJNR-LBPRGKRZSA-N 1 0 386.416 -1.151 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582340086 1075935549 /nfs/dbraw/zinc/93/55/49/1075935549.db2.gz DYOGDYNHWKDSPT-NXEZZACHSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582340087 1075935448 /nfs/dbraw/zinc/93/54/48/1075935448.db2.gz DYOGDYNHWKDSPT-UWVGGRQHSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582340088 1075935542 /nfs/dbraw/zinc/93/55/42/1075935542.db2.gz DYOGDYNHWKDSPT-VHSXEESVSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582340089 1075935546 /nfs/dbraw/zinc/93/55/46/1075935546.db2.gz DYOGDYNHWKDSPT-ZJUUUORDSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582340610 1075935300 /nfs/dbraw/zinc/93/53/00/1075935300.db2.gz LQALDXWAEVEEOG-GXSJLCMTSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582340611 1075935325 /nfs/dbraw/zinc/93/53/25/1075935325.db2.gz LQALDXWAEVEEOG-KOLCDFICSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582340612 1075935295 /nfs/dbraw/zinc/93/52/95/1075935295.db2.gz LQALDXWAEVEEOG-MWLCHTKSSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582340613 1075935511 /nfs/dbraw/zinc/93/55/11/1075935511.db2.gz LQALDXWAEVEEOG-ONGXEEELSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582340670 1075935742 /nfs/dbraw/zinc/93/57/42/1075935742.db2.gz MSRVNQKESOKRTM-GHMZBOCLSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582340671 1075935844 /nfs/dbraw/zinc/93/58/44/1075935844.db2.gz MSRVNQKESOKRTM-MNOVXSKESA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582340673 1075935822 /nfs/dbraw/zinc/93/58/22/1075935822.db2.gz MSRVNQKESOKRTM-QWRGUYRKSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582340675 1075935798 /nfs/dbraw/zinc/93/57/98/1075935798.db2.gz MSRVNQKESOKRTM-WDEREUQCSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582340870 1075935898 /nfs/dbraw/zinc/93/58/98/1075935898.db2.gz OQUPWHHPCXXBIM-GXSJLCMTSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582340871 1075935905 /nfs/dbraw/zinc/93/59/05/1075935905.db2.gz OQUPWHHPCXXBIM-KOLCDFICSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582340873 1075935871 /nfs/dbraw/zinc/93/58/71/1075935871.db2.gz OQUPWHHPCXXBIM-MWLCHTKSSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582340875 1075935761 /nfs/dbraw/zinc/93/57/61/1075935761.db2.gz OQUPWHHPCXXBIM-ONGXEEELSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1COCCO1 ZINC001582341260 1075935794 /nfs/dbraw/zinc/93/57/94/1075935794.db2.gz MBTKSNZBFZJLBO-GXTWGEPZSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1COCCO1 ZINC001582341261 1075935839 /nfs/dbraw/zinc/93/58/39/1075935839.db2.gz MBTKSNZBFZJLBO-JSGCOSHPSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1COCCO1 ZINC001582341262 1075935786 /nfs/dbraw/zinc/93/57/86/1075935786.db2.gz MBTKSNZBFZJLBO-OCCSQVGLSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1COCCO1 ZINC001582341263 1075935832 /nfs/dbraw/zinc/93/58/32/1075935832.db2.gz MBTKSNZBFZJLBO-TZMCWYRMSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCCCC1 ZINC001582341450 1075936132 /nfs/dbraw/zinc/93/61/32/1075936132.db2.gz TWLXSWICAFQMOY-GFCCVEGCSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCCCC1 ZINC001582341452 1075936206 /nfs/dbraw/zinc/93/62/06/1075936206.db2.gz TWLXSWICAFQMOY-LBPRGKRZSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582341501 1075936157 /nfs/dbraw/zinc/93/61/57/1075936157.db2.gz VBXLTNUFHLCOQZ-NEPJUHHUSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582341502 1075936184 /nfs/dbraw/zinc/93/61/84/1075936184.db2.gz VBXLTNUFHLCOQZ-NWDGAFQWSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582341504 1075936226 /nfs/dbraw/zinc/93/62/26/1075936226.db2.gz VBXLTNUFHLCOQZ-RYUDHWBXSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582341505 1075936218 /nfs/dbraw/zinc/93/62/18/1075936218.db2.gz VBXLTNUFHLCOQZ-VXGBXAGGSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582341519 1075936116 /nfs/dbraw/zinc/93/61/16/1075936116.db2.gz VFDJNCKCINGXCM-NEPJUHHUSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582341522 1075936232 /nfs/dbraw/zinc/93/62/32/1075936232.db2.gz VFDJNCKCINGXCM-NWDGAFQWSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582341524 1075936142 /nfs/dbraw/zinc/93/61/42/1075936142.db2.gz VFDJNCKCINGXCM-RYUDHWBXSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582341526 1075936121 /nfs/dbraw/zinc/93/61/21/1075936121.db2.gz VFDJNCKCINGXCM-VXGBXAGGSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582341540 1075936267 /nfs/dbraw/zinc/93/62/67/1075936267.db2.gz VOXVNGNEZHXKGK-CHWSQXEVSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582341542 1075936172 /nfs/dbraw/zinc/93/61/72/1075936172.db2.gz VOXVNGNEZHXKGK-OLZOCXBDSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582341544 1075936255 /nfs/dbraw/zinc/93/62/55/1075936255.db2.gz VOXVNGNEZHXKGK-QWHCGFSZSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582341547 1075936243 /nfs/dbraw/zinc/93/62/43/1075936243.db2.gz VOXVNGNEZHXKGK-STQMWFEESA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC1 ZINC001582341586 1075936696 /nfs/dbraw/zinc/93/66/96/1075936696.db2.gz WGWHZILCIGKDMF-GFCCVEGCSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC1 ZINC001582341587 1075936712 /nfs/dbraw/zinc/93/67/12/1075936712.db2.gz WGWHZILCIGKDMF-LBPRGKRZSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1c[nH]c(=O)cn1 ZINC001582341774 1075936621 /nfs/dbraw/zinc/93/66/21/1075936621.db2.gz QKTILNNTLJZEAQ-JTQLQIEISA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1c[nH]c(=O)cn1 ZINC001582341775 1075936687 /nfs/dbraw/zinc/93/66/87/1075936687.db2.gz QKTILNNTLJZEAQ-SNVBAGLBSA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC001582341812 1075936661 /nfs/dbraw/zinc/93/66/61/1075936661.db2.gz YKRSSKGPNDUDJP-LLVKDONJSA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC001582341813 1075936585 /nfs/dbraw/zinc/93/65/85/1075936585.db2.gz YKRSSKGPNDUDJP-NSHDSACASA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCOCC1 ZINC001582341837 1075936718 /nfs/dbraw/zinc/93/67/18/1075936718.db2.gz YUIGZJDALFGTMP-JTQLQIEISA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCOCC1 ZINC001582341838 1075936639 /nfs/dbraw/zinc/93/66/39/1075936639.db2.gz YUIGZJDALFGTMP-SNVBAGLBSA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582341850 1075937072 /nfs/dbraw/zinc/93/70/72/1075937072.db2.gz YXUNKJTVOSJYKH-NEPJUHHUSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582341852 1075937084 /nfs/dbraw/zinc/93/70/84/1075937084.db2.gz YXUNKJTVOSJYKH-NWDGAFQWSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582341853 1075936938 /nfs/dbraw/zinc/93/69/38/1075936938.db2.gz YXUNKJTVOSJYKH-RYUDHWBXSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582341854 1075937114 /nfs/dbraw/zinc/93/71/14/1075937114.db2.gz YXUNKJTVOSJYKH-VXGBXAGGSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCCCC1 ZINC001582341885 1075936971 /nfs/dbraw/zinc/93/69/71/1075936971.db2.gz ZFRLGQLGWWTKMP-LLVKDONJSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCCCC1 ZINC001582341886 1075937064 /nfs/dbraw/zinc/93/70/64/1075937064.db2.gz ZFRLGQLGWWTKMP-NSHDSACASA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1COCCO1 ZINC001582341892 1075937142 /nfs/dbraw/zinc/93/71/42/1075937142.db2.gz RHQXIJUYEVUMIS-BXUZGUMPSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1COCCO1 ZINC001582341895 1075937052 /nfs/dbraw/zinc/93/70/52/1075937052.db2.gz RHQXIJUYEVUMIS-FZMZJTMJSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1COCCO1 ZINC001582341899 1075936985 /nfs/dbraw/zinc/93/69/85/1075936985.db2.gz RHQXIJUYEVUMIS-RISCZKNCSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1COCCO1 ZINC001582341902 1075936948 /nfs/dbraw/zinc/93/69/48/1075936948.db2.gz RHQXIJUYEVUMIS-SMDDNHRTSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1c[nH]c(=O)cn1 ZINC001582342052 1075937135 /nfs/dbraw/zinc/93/71/35/1075937135.db2.gz VIHSWTLQGCSASF-LLVKDONJSA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1c[nH]c(=O)cn1 ZINC001582342053 1075936931 /nfs/dbraw/zinc/93/69/31/1075936931.db2.gz VIHSWTLQGCSASF-NSHDSACASA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CS(=O)(=O)C1 ZINC001582342134 1075937043 /nfs/dbraw/zinc/93/70/43/1075937043.db2.gz WYOZBCDFSVMYNZ-CYBMUJFWSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CS(=O)(=O)C1 ZINC001582342135 1075936996 /nfs/dbraw/zinc/93/69/96/1075936996.db2.gz WYOZBCDFSVMYNZ-ZDUSSCGKSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CS(=O)(=O)C1 ZINC001582344278 1075937388 /nfs/dbraw/zinc/93/73/88/1075937388.db2.gz HLXFWBXFSOQPJG-GFCCVEGCSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CS(=O)(=O)C1 ZINC001582344279 1075937392 /nfs/dbraw/zinc/93/73/92/1075937392.db2.gz HLXFWBXFSOQPJG-LBPRGKRZSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1COCCO1 ZINC001582344964 1075937928 /nfs/dbraw/zinc/93/79/28/1075937928.db2.gz AOBOQITVTWEBKV-BXUZGUMPSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1COCCO1 ZINC001582344966 1075937920 /nfs/dbraw/zinc/93/79/20/1075937920.db2.gz AOBOQITVTWEBKV-FZMZJTMJSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1COCCO1 ZINC001582344968 1075937874 /nfs/dbraw/zinc/93/78/74/1075937874.db2.gz AOBOQITVTWEBKV-RISCZKNCSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1COCCO1 ZINC001582344970 1075937986 /nfs/dbraw/zinc/93/79/86/1075937986.db2.gz AOBOQITVTWEBKV-SMDDNHRTSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CS(=O)(=O)C1 ZINC001582345074 1075938248 /nfs/dbraw/zinc/93/82/48/1075938248.db2.gz BPDLRBNXBCFIQM-CYBMUJFWSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CS(=O)(=O)C1 ZINC001582345075 1075938155 /nfs/dbraw/zinc/93/81/55/1075938155.db2.gz BPDLRBNXBCFIQM-ZDUSSCGKSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1c[nH]c(=O)cn1 ZINC001582345932 1075938272 /nfs/dbraw/zinc/93/82/72/1075938272.db2.gz NZYVIODIGDTFML-JTQLQIEISA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1c[nH]c(=O)cn1 ZINC001582345933 1075938212 /nfs/dbraw/zinc/93/82/12/1075938212.db2.gz NZYVIODIGDTFML-SNVBAGLBSA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1c[nH]c(=O)cn1 ZINC001582345944 1075938301 /nfs/dbraw/zinc/93/83/01/1075938301.db2.gz OCYDKHXGJJXUGE-MRVPVSSYSA-N 1 0 376.402 -1.108 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1c[nH]c(=O)cn1 ZINC001582345945 1075938293 /nfs/dbraw/zinc/93/82/93/1075938293.db2.gz OCYDKHXGJJXUGE-QMMMGPOBSA-N 1 0 376.402 -1.108 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CS(=O)(=O)C1 ZINC001582346058 1075938287 /nfs/dbraw/zinc/93/82/87/1075938287.db2.gz PMZBBBTVLXBNFH-SECBINFHSA-N 1 0 386.459 -1.461 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CS(=O)(=O)C1 ZINC001582346059 1075938219 /nfs/dbraw/zinc/93/82/19/1075938219.db2.gz PMZBBBTVLXBNFH-VIFPVBQESA-N 1 0 386.459 -1.461 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCS1(=O)=O ZINC001582349626 1075939173 /nfs/dbraw/zinc/93/91/73/1075939173.db2.gz LRJJMBFMJMQAOD-BXKDBHETSA-N 1 0 381.418 -1.850 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCS1(=O)=O ZINC001582349628 1075939050 /nfs/dbraw/zinc/93/90/50/1075939050.db2.gz LRJJMBFMJMQAOD-CABZTGNLSA-N 1 0 381.418 -1.850 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCS1(=O)=O ZINC001582349630 1075939494 /nfs/dbraw/zinc/93/94/94/1075939494.db2.gz LRJJMBFMJMQAOD-JOYOIKCWSA-N 1 0 381.418 -1.850 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCS1(=O)=O ZINC001582349632 1075939684 /nfs/dbraw/zinc/93/96/84/1075939684.db2.gz LRJJMBFMJMQAOD-SKDRFNHKSA-N 1 0 381.418 -1.850 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582350388 1075940605 /nfs/dbraw/zinc/94/06/05/1075940605.db2.gz WNCBAQRZNNMIGY-JUFZMCDQSA-N 1 0 389.416 -1.376 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001582350389 1075940493 /nfs/dbraw/zinc/94/04/93/1075940493.db2.gz WNCBAQRZNNMIGY-OZTPJHRESA-N 1 0 389.416 -1.376 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn2c1OCCC2 ZINC001582352040 1075940940 /nfs/dbraw/zinc/94/09/40/1075940940.db2.gz FDENHEAQTOQOFR-JTQLQIEISA-N 1 0 385.388 -1.135 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn2c1OCCC2 ZINC001582352041 1075940984 /nfs/dbraw/zinc/94/09/84/1075940984.db2.gz FDENHEAQTOQOFR-SNVBAGLBSA-N 1 0 385.388 -1.135 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cn2c(n1)COCC2 ZINC001582352208 1075940873 /nfs/dbraw/zinc/94/08/73/1075940873.db2.gz JAMNLTIFPOBTGP-JTQLQIEISA-N 1 0 385.388 -1.387 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cn2c(n1)COCC2 ZINC001582352209 1075940972 /nfs/dbraw/zinc/94/09/72/1075940972.db2.gz JAMNLTIFPOBTGP-SNVBAGLBSA-N 1 0 385.388 -1.387 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnc2n1CCOC2 ZINC001582352778 1075940830 /nfs/dbraw/zinc/94/08/30/1075940830.db2.gz VKUFTNOVMZAXGI-JTQLQIEISA-N 1 0 385.388 -1.387 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnc2n1CCOC2 ZINC001582352779 1075940905 /nfs/dbraw/zinc/94/09/05/1075940905.db2.gz VKUFTNOVMZAXGI-SNVBAGLBSA-N 1 0 385.388 -1.387 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn2cccnc12 ZINC001582352792 1075940914 /nfs/dbraw/zinc/94/09/14/1075940914.db2.gz VRLGOJFCXSCMER-JTQLQIEISA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn2cccnc12 ZINC001582352793 1075941028 /nfs/dbraw/zinc/94/10/28/1075941028.db2.gz VRLGOJFCXSCMER-SNVBAGLBSA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cc2n(n1)CCCO2 ZINC001582352844 1075940818 /nfs/dbraw/zinc/94/08/18/1075940818.db2.gz WXHWJDCGPKYVHA-JTQLQIEISA-N 1 0 385.388 -1.135 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cc2n(n1)CCCO2 ZINC001582352845 1075940837 /nfs/dbraw/zinc/94/08/37/1075940837.db2.gz WXHWJDCGPKYVHA-SNVBAGLBSA-N 1 0 385.388 -1.135 20 0 GAADRO O=C(NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582358566 1075941946 /nfs/dbraw/zinc/94/19/46/1075941946.db2.gz RJIGEUIWJQQJPY-GFCCVEGCSA-N 1 0 387.404 -1.155 20 0 GAADRO O=C(NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582358567 1075941910 /nfs/dbraw/zinc/94/19/10/1075941910.db2.gz RJIGEUIWJQQJPY-LBPRGKRZSA-N 1 0 387.404 -1.155 20 0 GAADRO O=C(NCC(F)F)C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582358682 1075941785 /nfs/dbraw/zinc/94/17/85/1075941785.db2.gz RUGNVOLMYPXCHW-UHFFFAOYSA-N 1 0 384.347 -1.702 20 0 GAADRO O=C(NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582364442 1075942224 /nfs/dbraw/zinc/94/22/24/1075942224.db2.gz URMKMFXUYCTJAW-CHWSQXEVSA-N 1 0 392.445 -1.318 20 0 GAADRO O=C(NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582364443 1075942254 /nfs/dbraw/zinc/94/22/54/1075942254.db2.gz URMKMFXUYCTJAW-OLZOCXBDSA-N 1 0 392.445 -1.318 20 0 GAADRO O=C(NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582364444 1075942360 /nfs/dbraw/zinc/94/23/60/1075942360.db2.gz URMKMFXUYCTJAW-QWHCGFSZSA-N 1 0 392.445 -1.318 20 0 GAADRO O=C(NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582364445 1075942418 /nfs/dbraw/zinc/94/24/18/1075942418.db2.gz URMKMFXUYCTJAW-STQMWFEESA-N 1 0 392.445 -1.318 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1c[nH]c(=O)cn1 ZINC001582365974 1075942321 /nfs/dbraw/zinc/94/23/21/1075942321.db2.gz AGEVUENNQLNEQK-LLVKDONJSA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1c[nH]c(=O)cn1 ZINC001582365975 1075942432 /nfs/dbraw/zinc/94/24/32/1075942432.db2.gz AGEVUENNQLNEQK-NSHDSACASA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCOCC1 ZINC001582366000 1075942395 /nfs/dbraw/zinc/94/23/95/1075942395.db2.gz AJXHZIURHFRRKQ-JTQLQIEISA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCOCC1 ZINC001582366001 1075942440 /nfs/dbraw/zinc/94/24/40/1075942440.db2.gz AJXHZIURHFRRKQ-SNVBAGLBSA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582366545 1075942675 /nfs/dbraw/zinc/94/26/75/1075942675.db2.gz IDRRFSMARNCKOD-GFCCVEGCSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582366546 1075942742 /nfs/dbraw/zinc/94/27/42/1075942742.db2.gz IDRRFSMARNCKOD-LBPRGKRZSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCOCC1 ZINC001582366630 1075942832 /nfs/dbraw/zinc/94/28/32/1075942832.db2.gz JOOZSJYCLWIRPN-LLVKDONJSA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCOCC1 ZINC001582366631 1075942851 /nfs/dbraw/zinc/94/28/51/1075942851.db2.gz JOOZSJYCLWIRPN-NSHDSACASA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582366662 1075942837 /nfs/dbraw/zinc/94/28/37/1075942837.db2.gz KGIPXYZWKYYFQS-GXSJLCMTSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582366663 1075943257 /nfs/dbraw/zinc/94/32/57/1075943257.db2.gz KGIPXYZWKYYFQS-KOLCDFICSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582366664 1075943311 /nfs/dbraw/zinc/94/33/11/1075943311.db2.gz KGIPXYZWKYYFQS-MWLCHTKSSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582366665 1075943286 /nfs/dbraw/zinc/94/32/86/1075943286.db2.gz KGIPXYZWKYYFQS-ONGXEEELSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC1 ZINC001582367050 1075943270 /nfs/dbraw/zinc/94/32/70/1075943270.db2.gz NDHILDOFTHEUCJ-GFCCVEGCSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC1 ZINC001582367051 1075943267 /nfs/dbraw/zinc/94/32/67/1075943267.db2.gz NDHILDOFTHEUCJ-LBPRGKRZSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(NC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582367672 1075943514 /nfs/dbraw/zinc/94/35/14/1075943514.db2.gz RHDAEFDEMRTRCY-NEPJUHHUSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582367673 1075943546 /nfs/dbraw/zinc/94/35/46/1075943546.db2.gz RHDAEFDEMRTRCY-NWDGAFQWSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582367674 1075943524 /nfs/dbraw/zinc/94/35/24/1075943524.db2.gz RHDAEFDEMRTRCY-RYUDHWBXSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582367675 1075943504 /nfs/dbraw/zinc/94/35/04/1075943504.db2.gz RHDAEFDEMRTRCY-VXGBXAGGSA-N 1 0 388.432 -1.257 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582367708 1075943679 /nfs/dbraw/zinc/94/36/79/1075943679.db2.gz SJUKNSKJGHFVAR-GXSJLCMTSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582367709 1075943560 /nfs/dbraw/zinc/94/35/60/1075943560.db2.gz SJUKNSKJGHFVAR-KOLCDFICSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582367710 1075943621 /nfs/dbraw/zinc/94/36/21/1075943621.db2.gz SJUKNSKJGHFVAR-MWLCHTKSSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582367711 1075943494 /nfs/dbraw/zinc/94/34/94/1075943494.db2.gz SJUKNSKJGHFVAR-ONGXEEELSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1COCCO1 ZINC001582367716 1075943639 /nfs/dbraw/zinc/94/36/39/1075943639.db2.gz SMCVHAONEDRWPI-GXTWGEPZSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1COCCO1 ZINC001582367717 1075943659 /nfs/dbraw/zinc/94/36/59/1075943659.db2.gz SMCVHAONEDRWPI-JSGCOSHPSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1COCCO1 ZINC001582367718 1075943610 /nfs/dbraw/zinc/94/36/10/1075943610.db2.gz SMCVHAONEDRWPI-OCCSQVGLSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1COCCO1 ZINC001582367719 1075943543 /nfs/dbraw/zinc/94/35/43/1075943543.db2.gz SMCVHAONEDRWPI-TZMCWYRMSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582368010 1075944070 /nfs/dbraw/zinc/94/40/70/1075944070.db2.gz VDBFUEWCKMBZEK-NEPJUHHUSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582368011 1075943964 /nfs/dbraw/zinc/94/39/64/1075943964.db2.gz VDBFUEWCKMBZEK-NWDGAFQWSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582368012 1075943889 /nfs/dbraw/zinc/94/38/89/1075943889.db2.gz VDBFUEWCKMBZEK-RYUDHWBXSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582368013 1075943981 /nfs/dbraw/zinc/94/39/81/1075943981.db2.gz VDBFUEWCKMBZEK-VXGBXAGGSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC001582368026 1075943876 /nfs/dbraw/zinc/94/38/76/1075943876.db2.gz VMBAQUJTSPYCJO-LLVKDONJSA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC001582368027 1075944106 /nfs/dbraw/zinc/94/41/06/1075944106.db2.gz VMBAQUJTSPYCJO-NSHDSACASA-N 1 0 378.393 -2.266 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582368368 1075944146 /nfs/dbraw/zinc/94/41/46/1075944146.db2.gz WNKFLDRWBSQSQU-GHMZBOCLSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582368369 1075944061 /nfs/dbraw/zinc/94/40/61/1075944061.db2.gz WNKFLDRWBSQSQU-MNOVXSKESA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582368370 1075944082 /nfs/dbraw/zinc/94/40/82/1075944082.db2.gz WNKFLDRWBSQSQU-QWRGUYRKSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582368371 1075943999 /nfs/dbraw/zinc/94/39/99/1075943999.db2.gz WNKFLDRWBSQSQU-WDEREUQCSA-N 1 0 375.393 -1.867 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582368445 1075944133 /nfs/dbraw/zinc/94/41/33/1075944133.db2.gz XOEFVGNBXWSZTL-NXEZZACHSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582368446 1075944049 /nfs/dbraw/zinc/94/40/49/1075944049.db2.gz XOEFVGNBXWSZTL-UWVGGRQHSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582368447 1075943911 /nfs/dbraw/zinc/94/39/11/1075943911.db2.gz XOEFVGNBXWSZTL-VHSXEESVSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582368448 1075944094 /nfs/dbraw/zinc/94/40/94/1075944094.db2.gz XOEFVGNBXWSZTL-ZJUUUORDSA-N 1 0 383.434 -1.690 20 0 GAADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCCCC1 ZINC001582368502 1075943936 /nfs/dbraw/zinc/94/39/36/1075943936.db2.gz YLPRFTXIQICZLT-GFCCVEGCSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCCCC1 ZINC001582368505 1075944448 /nfs/dbraw/zinc/94/44/48/1075944448.db2.gz YLPRFTXIQICZLT-LBPRGKRZSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CS(=O)(=O)C1 ZINC001582369685 1075944368 /nfs/dbraw/zinc/94/43/68/1075944368.db2.gz KQCCPKTUYWDRKU-CYBMUJFWSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CS(=O)(=O)C1 ZINC001582369687 1075944488 /nfs/dbraw/zinc/94/44/88/1075944488.db2.gz KQCCPKTUYWDRKU-ZDUSSCGKSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1COCCO1 ZINC001582369944 1075944426 /nfs/dbraw/zinc/94/44/26/1075944426.db2.gz MBYJTUFLNSBNCE-BXUZGUMPSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1COCCO1 ZINC001582369945 1075944457 /nfs/dbraw/zinc/94/44/57/1075944457.db2.gz MBYJTUFLNSBNCE-FZMZJTMJSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1COCCO1 ZINC001582369946 1075944421 /nfs/dbraw/zinc/94/44/21/1075944421.db2.gz MBYJTUFLNSBNCE-RISCZKNCSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1COCCO1 ZINC001582369947 1075944351 /nfs/dbraw/zinc/94/43/51/1075944351.db2.gz MBYJTUFLNSBNCE-SMDDNHRTSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COCCO1 ZINC001582369974 1075944372 /nfs/dbraw/zinc/94/43/72/1075944372.db2.gz MNONIINOWPZFLS-GXTWGEPZSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COCCO1 ZINC001582369975 1075944451 /nfs/dbraw/zinc/94/44/51/1075944451.db2.gz MNONIINOWPZFLS-JSGCOSHPSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COCCO1 ZINC001582369976 1075944409 /nfs/dbraw/zinc/94/44/09/1075944409.db2.gz MNONIINOWPZFLS-OCCSQVGLSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COCCO1 ZINC001582369977 1075944414 /nfs/dbraw/zinc/94/44/14/1075944414.db2.gz MNONIINOWPZFLS-TZMCWYRMSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1COCCO1 ZINC001582369978 1075944473 /nfs/dbraw/zinc/94/44/73/1075944473.db2.gz MOGHBPVUXYFEMB-GXTWGEPZSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1COCCO1 ZINC001582369979 1075944464 /nfs/dbraw/zinc/94/44/64/1075944464.db2.gz MOGHBPVUXYFEMB-JSGCOSHPSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1COCCO1 ZINC001582369980 1075944379 /nfs/dbraw/zinc/94/43/79/1075944379.db2.gz MOGHBPVUXYFEMB-OCCSQVGLSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1COCCO1 ZINC001582369981 1075944358 /nfs/dbraw/zinc/94/43/58/1075944358.db2.gz MOGHBPVUXYFEMB-TZMCWYRMSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1c[nH]c(=O)cn1 ZINC001582370172 1075944387 /nfs/dbraw/zinc/94/43/87/1075944387.db2.gz OOELTURUQXYOBE-LLVKDONJSA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1c[nH]c(=O)cn1 ZINC001582370173 1075944803 /nfs/dbraw/zinc/94/48/03/1075944803.db2.gz OOELTURUQXYOBE-NSHDSACASA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1c[nH]c(=O)cn1 ZINC001582370598 1075944747 /nfs/dbraw/zinc/94/47/47/1075944747.db2.gz XHSWOIIKGIEXQP-JTQLQIEISA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1c[nH]c(=O)cn1 ZINC001582370599 1075945022 /nfs/dbraw/zinc/94/50/22/1075945022.db2.gz XHSWOIIKGIEXQP-SNVBAGLBSA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1c[nH]c(=O)cn1 ZINC001582370604 1075944756 /nfs/dbraw/zinc/94/47/56/1075944756.db2.gz XLSRSQJUJGLPMR-LLVKDONJSA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1c[nH]c(=O)cn1 ZINC001582370605 1075944814 /nfs/dbraw/zinc/94/48/14/1075944814.db2.gz XLSRSQJUJGLPMR-NSHDSACASA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1COCCO1 ZINC001582371266 1075944718 /nfs/dbraw/zinc/94/47/18/1075944718.db2.gz FAETYLJTOILQDJ-BXUZGUMPSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1COCCO1 ZINC001582371267 1075944902 /nfs/dbraw/zinc/94/49/02/1075944902.db2.gz FAETYLJTOILQDJ-FZMZJTMJSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1COCCO1 ZINC001582371268 1075944734 /nfs/dbraw/zinc/94/47/34/1075944734.db2.gz FAETYLJTOILQDJ-RISCZKNCSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1COCCO1 ZINC001582371269 1075944871 /nfs/dbraw/zinc/94/48/71/1075944871.db2.gz FAETYLJTOILQDJ-SMDDNHRTSA-N 1 0 380.380 -1.012 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CS(=O)(=O)C1 ZINC001582371554 1075944769 /nfs/dbraw/zinc/94/47/69/1075944769.db2.gz HCQBNYOSQNTSCT-CYBMUJFWSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CS(=O)(=O)C1 ZINC001582371555 1075944976 /nfs/dbraw/zinc/94/49/76/1075944976.db2.gz HCQBNYOSQNTSCT-ZDUSSCGKSA-N 1 0 380.430 -1.522 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CS(=O)(=O)C1 ZINC001582371582 1075944830 /nfs/dbraw/zinc/94/48/30/1075944830.db2.gz HNILBEJVUBBGQF-SECBINFHSA-N 1 0 386.459 -1.461 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CS(=O)(=O)C1 ZINC001582371584 1075944792 /nfs/dbraw/zinc/94/47/92/1075944792.db2.gz HNILBEJVUBBGQF-VIFPVBQESA-N 1 0 386.459 -1.461 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1c[nH]c(=O)cn1 ZINC001582372375 1075945227 /nfs/dbraw/zinc/94/52/27/1075945227.db2.gz LLACOYHFMUODBG-JTQLQIEISA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1c[nH]c(=O)cn1 ZINC001582372377 1075945359 /nfs/dbraw/zinc/94/53/59/1075945359.db2.gz LLACOYHFMUODBG-SNVBAGLBSA-N 1 0 388.363 -1.030 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1c[nH]c(=O)cn1 ZINC001582373792 1075945384 /nfs/dbraw/zinc/94/53/84/1075945384.db2.gz VLCCRKAQYJYJDI-MRVPVSSYSA-N 1 0 376.402 -1.108 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1c[nH]c(=O)cn1 ZINC001582373793 1075945340 /nfs/dbraw/zinc/94/53/40/1075945340.db2.gz VLCCRKAQYJYJDI-QMMMGPOBSA-N 1 0 376.402 -1.108 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cnn2cccnc12 ZINC001582376210 1075945821 /nfs/dbraw/zinc/94/58/21/1075945821.db2.gz BRTXTSIKMHOWTM-JTQLQIEISA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cnn2cccnc12 ZINC001582376211 1075945576 /nfs/dbraw/zinc/94/55/76/1075945576.db2.gz BRTXTSIKMHOWTM-SNVBAGLBSA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cc2n(n1)CCCO2 ZINC001582376572 1075945702 /nfs/dbraw/zinc/94/57/02/1075945702.db2.gz GCSSGGBELDIBCM-JTQLQIEISA-N 1 0 385.388 -1.135 20 0 GAADRO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cc2n(n1)CCCO2 ZINC001582376573 1075945674 /nfs/dbraw/zinc/94/56/74/1075945674.db2.gz GCSSGGBELDIBCM-SNVBAGLBSA-N 1 0 385.388 -1.135 20 0 GAADRO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCS1(=O)=O ZINC001582376602 1075945594 /nfs/dbraw/zinc/94/55/94/1075945594.db2.gz GPTTWMZTNWMFMZ-BXKDBHETSA-N 1 0 381.418 -1.850 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCS1(=O)=O ZINC001582376603 1075945812 /nfs/dbraw/zinc/94/58/12/1075945812.db2.gz GPTTWMZTNWMFMZ-CABZTGNLSA-N 1 0 381.418 -1.850 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCS1(=O)=O ZINC001582376604 1075945743 /nfs/dbraw/zinc/94/57/43/1075945743.db2.gz GPTTWMZTNWMFMZ-JOYOIKCWSA-N 1 0 381.418 -1.850 20 0 GAADRO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCS1(=O)=O ZINC001582376605 1075945663 /nfs/dbraw/zinc/94/56/63/1075945663.db2.gz GPTTWMZTNWMFMZ-SKDRFNHKSA-N 1 0 381.418 -1.850 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cnc2n1CCOC2 ZINC001582376841 1075946348 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GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1noc2c1COCC2 ZINC001582377753 1075947214 /nfs/dbraw/zinc/94/72/14/1075947214.db2.gz IFPITIBKQUZHSH-VIFPVBQESA-N 1 0 386.372 -1.053 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cn2c(n1)COCC2 ZINC001582377966 1075947124 /nfs/dbraw/zinc/94/71/24/1075947124.db2.gz UEODSADSJMZXAJ-JTQLQIEISA-N 1 0 385.388 -1.387 20 0 GAADRO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cn2c(n1)COCC2 ZINC001582377968 1075947188 /nfs/dbraw/zinc/94/71/88/1075947188.db2.gz UEODSADSJMZXAJ-SNVBAGLBSA-N 1 0 385.388 -1.387 20 0 GAADRO O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[C@H]1CCS(=O)(=O)N1 ZINC001582396018 1075949063 /nfs/dbraw/zinc/94/90/63/1075949063.db2.gz KHAXJNCFISDUCG-GFCCVEGCSA-N 1 0 392.445 -1.174 20 0 GAADRO O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582396019 1075949180 /nfs/dbraw/zinc/94/91/80/1075949180.db2.gz KHAXJNCFISDUCG-LBPRGKRZSA-N 1 0 392.445 -1.174 20 0 GAADRO O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001582396940 1075948989 /nfs/dbraw/zinc/94/89/89/1075948989.db2.gz XXKVVNPVBAQPTC-LLVKDONJSA-N 1 0 378.418 -1.564 20 0 GAADRO O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001582396941 1075948956 /nfs/dbraw/zinc/94/89/56/1075948956.db2.gz XXKVVNPVBAQPTC-NSHDSACASA-N 1 0 378.418 -1.564 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405245 1075950088 /nfs/dbraw/zinc/95/00/88/1075950088.db2.gz GYXVEDJQJAZQQJ-KRWDZBQOSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405246 1075949952 /nfs/dbraw/zinc/94/99/52/1075949952.db2.gz GYXVEDJQJAZQQJ-QGZVFWFLSA-N 1 0 388.432 -1.016 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405769 1075950898 /nfs/dbraw/zinc/95/08/98/1075950898.db2.gz PVEZEAKCVBLNOR-KRWDZBQOSA-N 1 0 388.432 -1.016 20 0 GAADRO 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399.411 -1.419 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582765455 1076004650 /nfs/dbraw/zinc/00/46/50/1076004650.db2.gz CWVVZMXODRFUFD-LERXQTSPSA-N 1 0 388.432 -1.114 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582765456 1076004656 /nfs/dbraw/zinc/00/46/56/1076004656.db2.gz CWVVZMXODRFUFD-ZLKJLUDKSA-N 1 0 388.432 -1.114 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765517 1076004716 /nfs/dbraw/zinc/00/47/16/1076004716.db2.gz GBROURBVAZTYSU-CMPLNLGQSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765518 1076004708 /nfs/dbraw/zinc/00/47/08/1076004708.db2.gz GBROURBVAZTYSU-JQWIXIFHSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765519 1076004702 /nfs/dbraw/zinc/00/47/02/1076004702.db2.gz GBROURBVAZTYSU-PWSUYJOCSA-N 1 0 376.421 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O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765804 1076005192 /nfs/dbraw/zinc/00/51/92/1076005192.db2.gz OAZQZGAGFQVNTM-CMPLNLGQSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765805 1076005095 /nfs/dbraw/zinc/00/50/95/1076005095.db2.gz OAZQZGAGFQVNTM-JQWIXIFHSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765806 1076005206 /nfs/dbraw/zinc/00/52/06/1076005206.db2.gz OAZQZGAGFQVNTM-PWSUYJOCSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765807 1076005238 /nfs/dbraw/zinc/00/52/38/1076005238.db2.gz OAZQZGAGFQVNTM-ZYHUDNBSSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582765822 1076005001 /nfs/dbraw/zinc/00/50/01/1076005001.db2.gz OHYDGIOUHXRDNG-GHMZBOCLSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582765823 1076005021 /nfs/dbraw/zinc/00/50/21/1076005021.db2.gz OHYDGIOUHXRDNG-MNOVXSKESA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582765824 1076005176 /nfs/dbraw/zinc/00/51/76/1076005176.db2.gz OHYDGIOUHXRDNG-QWRGUYRKSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582765825 1076005127 /nfs/dbraw/zinc/00/51/27/1076005127.db2.gz OHYDGIOUHXRDNG-WDEREUQCSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582765836 1076004981 /nfs/dbraw/zinc/00/49/81/1076004981.db2.gz OVEUZXMHMHNLNM-BDJLRTHQSA-N 1 0 388.388 -1.833 20 0 GAADRO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582765837 1076005228 /nfs/dbraw/zinc/00/52/28/1076005228.db2.gz OVEUZXMHMHNLNM-BZNIZROVSA-N 1 0 388.388 -1.833 20 0 GAADRO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582765838 1076005083 /nfs/dbraw/zinc/00/50/83/1076005083.db2.gz OVEUZXMHMHNLNM-MEDUHNTESA-N 1 0 388.388 -1.833 20 0 GAADRO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582765839 1076005113 /nfs/dbraw/zinc/00/51/13/1076005113.db2.gz OVEUZXMHMHNLNM-ZBEGNZNMSA-N 1 0 388.388 -1.833 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765979 1076005468 /nfs/dbraw/zinc/00/54/68/1076005468.db2.gz UKQTYKHKGAVVDE-GDLCADMTSA-N 1 0 388.432 -1.114 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765980 1076005575 /nfs/dbraw/zinc/00/55/75/1076005575.db2.gz UKQTYKHKGAVVDE-HONMWMINSA-N 1 0 388.432 -1.114 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765981 1076005595 /nfs/dbraw/zinc/00/55/95/1076005595.db2.gz UKQTYKHKGAVVDE-LERXQTSPSA-N 1 0 388.432 -1.114 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582765982 1076005411 /nfs/dbraw/zinc/00/54/11/1076005411.db2.gz UKQTYKHKGAVVDE-ZLKJLUDKSA-N 1 0 388.432 -1.114 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582766007 1076006051 /nfs/dbraw/zinc/00/60/51/1076006051.db2.gz UWTQWGCUNMGRFN-GDLCADMTSA-N 1 0 388.432 -1.114 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582766008 1076005920 /nfs/dbraw/zinc/00/59/20/1076005920.db2.gz UWTQWGCUNMGRFN-HONMWMINSA-N 1 0 388.432 -1.114 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582766077 1076005905 /nfs/dbraw/zinc/00/59/05/1076005905.db2.gz XRGKCEPPEHNTHK-GHMZBOCLSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582766078 1076006008 /nfs/dbraw/zinc/00/60/08/1076006008.db2.gz XRGKCEPPEHNTHK-MNOVXSKESA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582766079 1076006018 /nfs/dbraw/zinc/00/60/18/1076006018.db2.gz XRGKCEPPEHNTHK-QWRGUYRKSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582766080 1076006027 /nfs/dbraw/zinc/00/60/27/1076006027.db2.gz XRGKCEPPEHNTHK-WDEREUQCSA-N 1 0 376.421 -1.209 20 0 GAADRO O=C(C[C@H]1CCCC(=O)N1)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582767310 1076006883 /nfs/dbraw/zinc/00/68/83/1076006883.db2.gz WMPSXOPFOKFPKV-GFCCVEGCSA-N 1 0 388.432 -1.025 20 0 GAADRO O=C(C[C@@H]1CCCC(=O)N1)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582767311 1076006774 /nfs/dbraw/zinc/00/67/74/1076006774.db2.gz WMPSXOPFOKFPKV-LBPRGKRZSA-N 1 0 388.432 -1.025 20 0 GAADRO O=C(CN1CCCC1=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582767919 1076007310 /nfs/dbraw/zinc/00/73/10/1076007310.db2.gz XTOJYFDBLLRUTC-GFCCVEGCSA-N 1 0 386.416 -1.055 20 0 GAADRO O=C(CN1CCCC1=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582767920 1076007369 /nfs/dbraw/zinc/00/73/69/1076007369.db2.gz XTOJYFDBLLRUTC-LBPRGKRZSA-N 1 0 386.416 -1.055 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768065 1076007130 /nfs/dbraw/zinc/00/71/30/1076007130.db2.gz FNUBXYUEWYQFAQ-OLZOCXBDSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768066 1076007148 /nfs/dbraw/zinc/00/71/48/1076007148.db2.gz FNUBXYUEWYQFAQ-STQMWFEESA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768212 1076007772 /nfs/dbraw/zinc/00/77/72/1076007772.db2.gz LWTNTPLDDXOVPS-OLZOCXBDSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768213 1076007832 /nfs/dbraw/zinc/00/78/32/1076007832.db2.gz LWTNTPLDDXOVPS-STQMWFEESA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768357 1076007790 /nfs/dbraw/zinc/00/77/90/1076007790.db2.gz SUOLCSYQWLUUDH-NEPJUHHUSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001582768358 1076007748 /nfs/dbraw/zinc/00/77/48/1076007748.db2.gz SUOLCSYQWLUUDH-RYUDHWBXSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C([C@H]1CCCC(=O)N1)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582768364 1076007706 /nfs/dbraw/zinc/00/77/06/1076007706.db2.gz TZMJXOAOALKZPL-BXUZGUMPSA-N 1 0 386.416 -1.008 20 0 GAADRO O=C([C@H]1CCCC(=O)N1)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582768365 1076007694 /nfs/dbraw/zinc/00/76/94/1076007694.db2.gz TZMJXOAOALKZPL-SMDDNHRTSA-N 1 0 386.416 -1.008 20 0 GAADRO O=C(CN1CCC(=O)NC1=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582769947 1076009902 /nfs/dbraw/zinc/00/99/02/1076009902.db2.gz RSZARHSEIYEACB-JTQLQIEISA-N 1 0 385.388 -1.362 20 0 GAADRO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582769948 1076009833 /nfs/dbraw/zinc/00/98/33/1076009833.db2.gz RSZARHSEIYEACB-SNVBAGLBSA-N 1 0 385.388 -1.362 20 0 GAADRO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582770065 1076010208 /nfs/dbraw/zinc/01/02/08/1076010208.db2.gz YOIBIYFTYUZPHH-AOOOYVTPSA-N 1 0 385.388 -1.315 20 0 GAADRO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582770066 1076010160 /nfs/dbraw/zinc/01/01/60/1076010160.db2.gz YOIBIYFTYUZPHH-MGCOHNPYSA-N 1 0 385.388 -1.315 20 0 GAADRO O=C([C@@H]1CCC(=O)N1)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582770087 1076010285 /nfs/dbraw/zinc/01/02/85/1076010285.db2.gz ZGMPQLWBXKZGFN-ZDUSSCGKSA-N 1 0 386.416 -1.272 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001582770506 1076010319 /nfs/dbraw/zinc/01/03/19/1076010319.db2.gz AKTQHMUXYOMMPI-GWCFXTLKSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001582770507 1076010112 /nfs/dbraw/zinc/01/01/12/1076010112.db2.gz AKTQHMUXYOMMPI-MFKMUULPSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001582770526 1076010777 /nfs/dbraw/zinc/01/07/77/1076010777.db2.gz BHRUFEOBTSMVFX-AAEUAGOBSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001582770527 1076010723 /nfs/dbraw/zinc/01/07/23/1076010723.db2.gz BHRUFEOBTSMVFX-YPMHNXCESA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCC(=O)N1 ZINC001582770743 1076010640 /nfs/dbraw/zinc/01/06/40/1076010640.db2.gz KBSBSIBOBHAHEP-AAEUAGOBSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCC(=O)N1 ZINC001582770744 1076010730 /nfs/dbraw/zinc/01/07/30/1076010730.db2.gz KBSBSIBOBHAHEP-YPMHNXCESA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC(=O)N1 ZINC001582770770 1076011043 /nfs/dbraw/zinc/01/10/43/1076011043.db2.gz KVIQJJDAQNPXCN-GWCFXTLKSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC(=O)N1 ZINC001582770771 1076010903 /nfs/dbraw/zinc/01/09/03/1076010903.db2.gz KVIQJJDAQNPXCN-MFKMUULPSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001582771005 1076011594 /nfs/dbraw/zinc/01/15/94/1076011594.db2.gz QSUNBGYAJAIPGL-AAEUAGOBSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001582771006 1076011518 /nfs/dbraw/zinc/01/15/18/1076011518.db2.gz QSUNBGYAJAIPGL-YPMHNXCESA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001582771028 1076011443 /nfs/dbraw/zinc/01/14/43/1076011443.db2.gz RAWWGYQKUFQPRC-AAEUAGOBSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001582771029 1076011601 /nfs/dbraw/zinc/01/16/01/1076011601.db2.gz RAWWGYQKUFQPRC-YPMHNXCESA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001582771066 1076011535 /nfs/dbraw/zinc/01/15/35/1076011535.db2.gz SGPNZQBHWMJIIA-GWCFXTLKSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001582771067 1076011431 /nfs/dbraw/zinc/01/14/31/1076011431.db2.gz SGPNZQBHWMJIIA-MFKMUULPSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC(=O)N1 ZINC001582771131 1076011394 /nfs/dbraw/zinc/01/13/94/1076011394.db2.gz VPXJWRSRSLFQST-GWCFXTLKSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC(=O)N1 ZINC001582771132 1076012012 /nfs/dbraw/zinc/01/20/12/1076012012.db2.gz VPXJWRSRSLFQST-MFKMUULPSA-N 1 0 377.380 -1.149 20 0 GAADRO 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O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCC(=O)N1 ZINC001582773875 1076015523 /nfs/dbraw/zinc/01/55/23/1076015523.db2.gz VPXJWRSRSLFQST-ZWNOBZJWSA-N 1 0 377.380 -1.149 20 0 GAADRO O=C(C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)N1CCNC(=O)C1 ZINC001582774797 1076016588 /nfs/dbraw/zinc/01/65/88/1076016588.db2.gz DLBVCKITHQHSFE-UHFFFAOYSA-N 1 0 387.404 -1.995 20 0 GAADRO O=C(C[NH2+]CCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCNC(=O)C1 ZINC001582774874 1076016420 /nfs/dbraw/zinc/01/64/20/1076016420.db2.gz FJYXNAUJAQJOKT-UHFFFAOYSA-N 1 0 375.393 -2.137 20 0 GAADRO O=C(C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCNC(=O)C1 ZINC001582774915 1076016597 /nfs/dbraw/zinc/01/65/97/1076016597.db2.gz HVIVWCXVXJTKSG-LLVKDONJSA-N 1 0 387.404 -2.043 20 0 GAADRO O=C(C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCNC(=O)C1 ZINC001582774916 1076016575 /nfs/dbraw/zinc/01/65/75/1076016575.db2.gz HVIVWCXVXJTKSG-NSHDSACASA-N 1 0 387.404 -2.043 20 0 GAADRO 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ZINC001582775964 1076021292 /nfs/dbraw/zinc/02/12/92/1076021292.db2.gz SBUKTNXRXYXVHH-UHFFFAOYSA-N 1 0 385.432 -1.434 20 0 GAADRO O=C(CN1CCNC(=O)C1)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582775979 1076021603 /nfs/dbraw/zinc/02/16/03/1076021603.db2.gz SPSAJPSELRMHFI-HAQNSBGRSA-N 1 0 385.432 -1.578 20 0 GAADRO O=C(CN1CCNC(=O)C1)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582775980 1076021817 /nfs/dbraw/zinc/02/18/17/1076021817.db2.gz SPSAJPSELRMHFI-TXEJJXNPSA-N 1 0 385.432 -1.578 20 0 GAADRO O=C(CN1CCNC(=O)C1)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582775988 1076021734 /nfs/dbraw/zinc/02/17/34/1076021734.db2.gz TZHSZZCAJDGRSZ-UHFFFAOYSA-N 1 0 384.444 -1.154 20 0 GAADRO O=C(CN1CCNC(=O)C1)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582776001 1076021558 /nfs/dbraw/zinc/02/15/58/1076021558.db2.gz UQWFPWQCAQUUBK-CYBMUJFWSA-N 1 0 388.432 -2.135 20 0 GAADRO O=C(CN1CCNC(=O)C1)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582776002 1076021814 /nfs/dbraw/zinc/02/18/14/1076021814.db2.gz UQWFPWQCAQUUBK-ZDUSSCGKSA-N 1 0 388.432 -2.135 20 0 GAADRO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582776009 1076021586 /nfs/dbraw/zinc/02/15/86/1076021586.db2.gz VDHBUFGMVPIPLV-AWEZNQCLSA-N 1 0 384.444 -1.011 20 0 GAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582776010 1076021745 /nfs/dbraw/zinc/02/17/45/1076021745.db2.gz VDHBUFGMVPIPLV-CQSZACIVSA-N 1 0 384.444 -1.011 20 0 GAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582776017 1076022100 /nfs/dbraw/zinc/02/21/00/1076022100.db2.gz VHWFOMLFBOBIIV-GFCCVEGCSA-N 1 0 385.432 -1.482 20 0 GAADRO O=C(CN1CCNC(=O)C1)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582776018 1076022212 /nfs/dbraw/zinc/02/22/12/1076022212.db2.gz VHWFOMLFBOBIIV-LBPRGKRZSA-N 1 0 385.432 -1.482 20 0 GAADRO O=C(CN1CCNC(=O)C1)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582776032 1076022181 /nfs/dbraw/zinc/02/21/81/1076022181.db2.gz VVIMFIFZFOZPTK-CYBMUJFWSA-N 1 0 388.432 -2.135 20 0 GAADRO O=C(CN1CCNC(=O)C1)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582776033 1076022232 /nfs/dbraw/zinc/02/22/32/1076022232.db2.gz VVIMFIFZFOZPTK-ZDUSSCGKSA-N 1 0 388.432 -2.135 20 0 GAADRO O=C(CN1CCNC(=O)C1)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001582776048 1076022162 /nfs/dbraw/zinc/02/21/62/1076022162.db2.gz WIZRHWAMRFLMGB-AWEZNQCLSA-N 1 0 385.432 -1.578 20 0 GAADRO O=C(CN1CCNC(=O)C1)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001582776049 1076022131 /nfs/dbraw/zinc/02/21/31/1076022131.db2.gz WIZRHWAMRFLMGB-CQSZACIVSA-N 1 0 385.432 -1.578 20 0 GAADRO O=C(NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776379 1076023012 /nfs/dbraw/zinc/02/30/12/1076023012.db2.gz DOWFSWONECIEHZ-NSHDSACASA-N 1 0 385.388 -1.055 20 0 GAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582776416 1076022824 /nfs/dbraw/zinc/02/28/24/1076022824.db2.gz FMENTZHKDZQWKE-CABZTGNLSA-N 1 0 385.388 -1.315 20 0 GAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582776418 1076023005 /nfs/dbraw/zinc/02/30/05/1076023005.db2.gz FMENTZHKDZQWKE-SKDRFNHKSA-N 1 0 385.388 -1.315 20 0 GAADRO O=C(NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776567 1076023037 /nfs/dbraw/zinc/02/30/37/1076023037.db2.gz HRVPOWBMHUTCPL-NSHDSACASA-N 1 0 376.352 -1.190 20 0 GAADRO O=C(NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776662 1076022814 /nfs/dbraw/zinc/02/28/14/1076022814.db2.gz JVNALIFHLKUKFA-NWDGAFQWSA-N 1 0 385.388 -1.412 20 0 GAADRO O=C(NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776663 1076022943 /nfs/dbraw/zinc/02/29/43/1076022943.db2.gz JVNALIFHLKUKFA-RYUDHWBXSA-N 1 0 385.388 -1.412 20 0 GAADRO O=C(N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776696 1076022994 /nfs/dbraw/zinc/02/29/94/1076022994.db2.gz KWTMKCZVKBSQOH-NWDGAFQWSA-N 1 0 385.388 -1.412 20 0 GAADRO O=C(N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776697 1076022927 /nfs/dbraw/zinc/02/29/27/1076022927.db2.gz KWTMKCZVKBSQOH-RYUDHWBXSA-N 1 0 385.388 -1.412 20 0 GAADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582776743 1076023174 /nfs/dbraw/zinc/02/31/74/1076023174.db2.gz NFGPURMVHDFIRL-LBPRGKRZSA-N 1 0 385.388 -1.315 20 0 GAADRO O=C(N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776815 1076023335 /nfs/dbraw/zinc/02/33/35/1076023335.db2.gz QKMOUSVSIXRFTA-AUTRQRHGSA-N 1 0 385.388 -1.412 20 0 GAADRO O=C(NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776816 1076023348 /nfs/dbraw/zinc/02/33/48/1076023348.db2.gz QKMOUSVSIXRFTA-KWPJZBAWSA-N 1 0 385.388 -1.412 20 0 GAADRO O=C(NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776865 1076023211 /nfs/dbraw/zinc/02/32/11/1076023211.db2.gz SVLPCZDKYMNFQU-KWPJZBAWSA-N 1 0 385.388 -1.412 20 0 GAADRO O=C(NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776866 1076023420 /nfs/dbraw/zinc/02/34/20/1076023420.db2.gz SVLPCZDKYMNFQU-SBMIAAHKSA-N 1 0 385.388 -1.412 20 0 GAADRO O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001582776876 1076023704 /nfs/dbraw/zinc/02/37/04/1076023704.db2.gz UKLSWCXEGIKLJP-NSHDSACASA-N 1 0 385.388 -1.268 20 0 GAADRO O=C(CN1CCOCC1=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582777128 1076024235 /nfs/dbraw/zinc/02/42/35/1076024235.db2.gz HXLPWXBLLPUEQO-GFCCVEGCSA-N 1 0 386.416 -1.055 20 0 GAADRO O=C(CN1CCOCC1=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582777129 1076024193 /nfs/dbraw/zinc/02/41/93/1076024193.db2.gz HXLPWXBLLPUEQO-LBPRGKRZSA-N 1 0 386.416 -1.055 20 0 GAADRO O=C(NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1COC(=O)N1 ZINC001582778032 1076025319 /nfs/dbraw/zinc/02/53/19/1076025319.db2.gz FATXGZNUYFDNSM-LLVKDONJSA-N 1 0 388.388 -1.182 20 0 GAADRO O=C(NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1COC(=O)N1 ZINC001582778033 1076025396 /nfs/dbraw/zinc/02/53/96/1076025396.db2.gz FATXGZNUYFDNSM-NSHDSACASA-N 1 0 388.388 -1.182 20 0 GAADRO O=C([C@H]1COC(=O)N1)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582778200 1076025947 /nfs/dbraw/zinc/02/59/47/1076025947.db2.gz GLJRIHLBXBHXIC-GFCCVEGCSA-N 1 0 388.388 -1.443 20 0 GAADRO O=C([C@@H]1COC(=O)N1)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582778201 1076025992 /nfs/dbraw/zinc/02/59/92/1076025992.db2.gz GLJRIHLBXBHXIC-LBPRGKRZSA-N 1 0 388.388 -1.443 20 0 GAADRO O=C(NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)[C@H]1COC(=O)N1 ZINC001582779002 1076027217 /nfs/dbraw/zinc/02/72/17/1076027217.db2.gz UMTDBXTZGZOWEN-GFCCVEGCSA-N 1 0 388.388 -1.131 20 0 GAADRO O=C(NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)[C@@H]1COC(=O)N1 ZINC001582779003 1076027258 /nfs/dbraw/zinc/02/72/58/1076027258.db2.gz UMTDBXTZGZOWEN-LBPRGKRZSA-N 1 0 388.388 -1.131 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1COC(=O)N1 ZINC001582779842 1076028099 /nfs/dbraw/zinc/02/80/99/1076028099.db2.gz FCOVKCYFBMXWGM-CMPLNLGQSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1COC(=O)N1 ZINC001582779843 1076028553 /nfs/dbraw/zinc/02/85/53/1076028553.db2.gz FCOVKCYFBMXWGM-JQWIXIFHSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1COC(=O)N1 ZINC001582779844 1076028426 /nfs/dbraw/zinc/02/84/26/1076028426.db2.gz FCOVKCYFBMXWGM-PWSUYJOCSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1COC(=O)N1 ZINC001582779845 1076028516 /nfs/dbraw/zinc/02/85/16/1076028516.db2.gz FCOVKCYFBMXWGM-ZYHUDNBSSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1COC(=O)N1 ZINC001582779904 1076028453 /nfs/dbraw/zinc/02/84/53/1076028453.db2.gz GJBFDPDLYPSKTF-CMPLNLGQSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1COC(=O)N1 ZINC001582779905 1076028423 /nfs/dbraw/zinc/02/84/23/1076028423.db2.gz GJBFDPDLYPSKTF-JQWIXIFHSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1COC(=O)N1 ZINC001582779906 1076028420 /nfs/dbraw/zinc/02/84/20/1076028420.db2.gz GJBFDPDLYPSKTF-PWSUYJOCSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1COC(=O)N1 ZINC001582779907 1076028598 /nfs/dbraw/zinc/02/85/98/1076028598.db2.gz GJBFDPDLYPSKTF-ZYHUDNBSSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1COC(=O)N1 ZINC001582780042 1076029050 /nfs/dbraw/zinc/02/90/50/1076029050.db2.gz IEEHTZIIHQMVFW-BXKDBHETSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1COC(=O)N1 ZINC001582780043 1076028748 /nfs/dbraw/zinc/02/87/48/1076028748.db2.gz IEEHTZIIHQMVFW-CABZTGNLSA-N 1 0 379.352 -1.319 20 0 GAADRO 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O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1COC(=O)N1 ZINC001582780415 1076029904 /nfs/dbraw/zinc/02/99/04/1076029904.db2.gz OGEFUGFXVURGRM-SKDRFNHKSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)[C@H]1COC(=O)N1 ZINC001582780480 1076029964 /nfs/dbraw/zinc/02/99/64/1076029964.db2.gz PEJIPBGLIVBIAJ-GFCCVEGCSA-N 1 0 388.388 -1.131 20 0 GAADRO O=C(NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)[C@@H]1COC(=O)N1 ZINC001582780481 1076029865 /nfs/dbraw/zinc/02/98/65/1076029865.db2.gz PEJIPBGLIVBIAJ-LBPRGKRZSA-N 1 0 388.388 -1.131 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COC(=O)N1 ZINC001582780492 1076029854 /nfs/dbraw/zinc/02/98/54/1076029854.db2.gz PKJGKDZXSNQHKM-CMPLNLGQSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COC(=O)N1 ZINC001582780493 1076030244 /nfs/dbraw/zinc/03/02/44/1076030244.db2.gz PKJGKDZXSNQHKM-JQWIXIFHSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COC(=O)N1 ZINC001582780494 1076030398 /nfs/dbraw/zinc/03/03/98/1076030398.db2.gz PKJGKDZXSNQHKM-PWSUYJOCSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COC(=O)N1 ZINC001582780495 1076030388 /nfs/dbraw/zinc/03/03/88/1076030388.db2.gz PKJGKDZXSNQHKM-ZYHUDNBSSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1COC(=O)N1 ZINC001582780784 1076030631 /nfs/dbraw/zinc/03/06/31/1076030631.db2.gz UYJGWXOSVIIOCC-BXKDBHETSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1COC(=O)N1 ZINC001582780785 1076030821 /nfs/dbraw/zinc/03/08/21/1076030821.db2.gz UYJGWXOSVIIOCC-CABZTGNLSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1COC(=O)N1 ZINC001582780786 1076030589 /nfs/dbraw/zinc/03/05/89/1076030589.db2.gz UYJGWXOSVIIOCC-JOYOIKCWSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1COC(=O)N1 ZINC001582780787 1076030831 /nfs/dbraw/zinc/03/08/31/1076030831.db2.gz UYJGWXOSVIIOCC-SKDRFNHKSA-N 1 0 379.352 -1.319 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582781485 1076032495 /nfs/dbraw/zinc/03/24/95/1076032495.db2.gz FPVKQMCGVRBDJK-KBPBESRZSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582781486 1076032316 /nfs/dbraw/zinc/03/23/16/1076032316.db2.gz FPVKQMCGVRBDJK-KGLIPLIRSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582781487 1076032327 /nfs/dbraw/zinc/03/23/27/1076032327.db2.gz FPVKQMCGVRBDJK-UONOGXRCSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582781488 1076032482 /nfs/dbraw/zinc/03/24/82/1076032482.db2.gz FPVKQMCGVRBDJK-ZIAGYGMSSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582782107 1076034634 /nfs/dbraw/zinc/03/46/34/1076034634.db2.gz OJWRBNWAYYXGDI-BLLLJJGKSA-N 1 0 387.404 -1.870 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582782108 1076034727 /nfs/dbraw/zinc/03/47/27/1076034727.db2.gz OJWRBNWAYYXGDI-LRDDRELGSA-N 1 0 387.404 -1.870 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582782109 1076034621 /nfs/dbraw/zinc/03/46/21/1076034621.db2.gz OJWRBNWAYYXGDI-MLGOLLRUSA-N 1 0 387.404 -1.870 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582782110 1076034794 /nfs/dbraw/zinc/03/47/94/1076034794.db2.gz OJWRBNWAYYXGDI-WBMJQRKESA-N 1 0 387.404 -1.870 20 0 GAADRO O=C(NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CNC(=O)N1 ZINC001582782113 1076034738 /nfs/dbraw/zinc/03/47/38/1076034738.db2.gz OLOXIAPSCRGLAU-LLVKDONJSA-N 1 0 387.404 -1.609 20 0 GAADRO O=C(NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CNC(=O)N1 ZINC001582782114 1076034712 /nfs/dbraw/zinc/03/47/12/1076034712.db2.gz OLOXIAPSCRGLAU-NSHDSACASA-N 1 0 387.404 -1.609 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582782514 1076036198 /nfs/dbraw/zinc/03/61/98/1076036198.db2.gz TWLGHVWHRCWBJT-GXSJLCMTSA-N 1 0 392.445 -1.073 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582782515 1076036329 /nfs/dbraw/zinc/03/63/29/1076036329.db2.gz TWLGHVWHRCWBJT-KOLCDFICSA-N 1 0 392.445 -1.073 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582782516 1076036213 /nfs/dbraw/zinc/03/62/13/1076036213.db2.gz TWLGHVWHRCWBJT-MWLCHTKSSA-N 1 0 392.445 -1.073 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582782518 1076036080 /nfs/dbraw/zinc/03/60/80/1076036080.db2.gz TWLGHVWHRCWBJT-ONGXEEELSA-N 1 0 392.445 -1.073 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582782795 1076037553 /nfs/dbraw/zinc/03/75/53/1076037553.db2.gz WOPXTNOOMGVSCX-KBPBESRZSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582782796 1076037565 /nfs/dbraw/zinc/03/75/65/1076037565.db2.gz WOPXTNOOMGVSCX-KGLIPLIRSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582782797 1076037540 /nfs/dbraw/zinc/03/75/40/1076037540.db2.gz WOPXTNOOMGVSCX-UONOGXRCSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582782798 1076037409 /nfs/dbraw/zinc/03/74/09/1076037409.db2.gz WOPXTNOOMGVSCX-ZIAGYGMSSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582782869 1076037430 /nfs/dbraw/zinc/03/74/30/1076037430.db2.gz XYVJWEKHCFVBSP-GXTWGEPZSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582782870 1076037317 /nfs/dbraw/zinc/03/73/17/1076037317.db2.gz XYVJWEKHCFVBSP-JSGCOSHPSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582782872 1076037730 /nfs/dbraw/zinc/03/77/30/1076037730.db2.gz XYVJWEKHCFVBSP-OCCSQVGLSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582782873 1076038064 /nfs/dbraw/zinc/03/80/64/1076038064.db2.gz XYVJWEKHCFVBSP-TZMCWYRMSA-N 1 0 386.416 -1.135 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CNC(=O)N1 ZINC001582783556 1076038648 /nfs/dbraw/zinc/03/86/48/1076038648.db2.gz AGXIMWNTWSSBDK-CMPLNLGQSA-N 1 0 378.368 -1.746 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CNC(=O)N1 ZINC001582783557 1076038654 /nfs/dbraw/zinc/03/86/54/1076038654.db2.gz AGXIMWNTWSSBDK-JQWIXIFHSA-N 1 0 378.368 -1.746 20 0 GAADRO 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C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001589862619 1076076623 /nfs/dbraw/zinc/07/66/23/1076076623.db2.gz YGFAXSGBHYJKPH-VIFPVBQESA-N 1 0 375.393 -1.155 20 0 GAADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001589870079 1076076725 /nfs/dbraw/zinc/07/67/25/1076076725.db2.gz MLSVTLJLJAUTNF-SECBINFHSA-N 1 0 375.393 -1.298 20 0 GAADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001589870080 1076076790 /nfs/dbraw/zinc/07/67/90/1076076790.db2.gz MLSVTLJLJAUTNF-VIFPVBQESA-N 1 0 375.393 -1.298 20 0 GAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)N(C)C ZINC001589922735 1076078391 /nfs/dbraw/zinc/07/83/91/1076078391.db2.gz BDWOGWJPJWWOMD-JTQLQIEISA-N 1 0 391.436 -1.503 20 0 GAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)N(C)C ZINC001589922736 1076078346 /nfs/dbraw/zinc/07/83/46/1076078346.db2.gz BDWOGWJPJWWOMD-SNVBAGLBSA-N 1 0 391.436 -1.503 20 0 GAADRO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589923523 1076079099 /nfs/dbraw/zinc/07/90/99/1076079099.db2.gz VHGDMPKQMABLPF-NXEZZACHSA-N 1 0 387.404 -1.117 20 0 GAADRO C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589923537 1076079127 /nfs/dbraw/zinc/07/91/27/1076079127.db2.gz VHGDMPKQMABLPF-UWVGGRQHSA-N 1 0 387.404 -1.117 20 0 GAADRO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589923539 1076079345 /nfs/dbraw/zinc/07/93/45/1076079345.db2.gz VHGDMPKQMABLPF-VHSXEESVSA-N 1 0 387.404 -1.117 20 0 GAADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001589923540 1076079322 /nfs/dbraw/zinc/07/93/22/1076079322.db2.gz VHGDMPKQMABLPF-ZJUUUORDSA-N 1 0 387.404 -1.117 20 0 GAADRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001589923552 1076079138 /nfs/dbraw/zinc/07/91/38/1076079138.db2.gz VLZBUSHOEFHNAC-SECBINFHSA-N 1 0 377.409 -1.893 20 0 GAADRO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001589923557 1076079334 /nfs/dbraw/zinc/07/93/34/1076079334.db2.gz VLZBUSHOEFHNAC-VIFPVBQESA-N 1 0 377.409 -1.893 20 0 GAADRO C[C@H](NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001589923707 1076079113 /nfs/dbraw/zinc/07/91/13/1076079113.db2.gz XFASSLGLHAZAMO-JTQLQIEISA-N 1 0 391.436 -1.503 20 0 GAADRO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001589923708 1076079149 /nfs/dbraw/zinc/07/91/49/1076079149.db2.gz XFASSLGLHAZAMO-SNVBAGLBSA-N 1 0 391.436 -1.503 20 0 GAADRO C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001589941651 1076079571 /nfs/dbraw/zinc/07/95/71/1076079571.db2.gz YQFFVXJPTUEVHF-SECBINFHSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001589941655 1076079635 /nfs/dbraw/zinc/07/96/35/1076079635.db2.gz YQFFVXJPTUEVHF-VIFPVBQESA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001589943247 1076079612 /nfs/dbraw/zinc/07/96/12/1076079612.db2.gz PSQSEOJCUUWLGA-SECBINFHSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001589943248 1076079687 /nfs/dbraw/zinc/07/96/87/1076079687.db2.gz PSQSEOJCUUWLGA-VIFPVBQESA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001589960770 1076079786 /nfs/dbraw/zinc/07/97/86/1076079786.db2.gz HDULKGMRZLDYBK-BDAKNGLRSA-N 1 0 375.393 -1.157 20 0 GAADRO C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960772 1076079556 /nfs/dbraw/zinc/07/95/56/1076079556.db2.gz HDULKGMRZLDYBK-DTWKUNHWSA-N 1 0 375.393 -1.157 20 0 GAADRO C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960774 1076079735 /nfs/dbraw/zinc/07/97/35/1076079735.db2.gz HDULKGMRZLDYBK-IUCAKERBSA-N 1 0 375.393 -1.157 20 0 GAADRO C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960776 1076079643 /nfs/dbraw/zinc/07/96/43/1076079643.db2.gz HDULKGMRZLDYBK-RKDXNWHRSA-N 1 0 375.393 -1.157 20 0 GAADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001589960878 1076079719 /nfs/dbraw/zinc/07/97/19/1076079719.db2.gz JOODVYWETQQUAS-BDAKNGLRSA-N 1 0 375.393 -1.157 20 0 GAADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960879 1076079695 /nfs/dbraw/zinc/07/96/95/1076079695.db2.gz JOODVYWETQQUAS-DTWKUNHWSA-N 1 0 375.393 -1.157 20 0 GAADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960880 1076079837 /nfs/dbraw/zinc/07/98/37/1076079837.db2.gz JOODVYWETQQUAS-IUCAKERBSA-N 1 0 375.393 -1.157 20 0 GAADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001589960881 1076079750 /nfs/dbraw/zinc/07/97/50/1076079750.db2.gz JOODVYWETQQUAS-RKDXNWHRSA-N 1 0 375.393 -1.157 20 0 GAADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001589973186 1076079972 /nfs/dbraw/zinc/07/99/72/1076079972.db2.gz CKNKEDUYKSKEQI-DUFXMDAXSA-N 1 0 398.431 -1.000 20 0 GAADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001589973187 1076080191 /nfs/dbraw/zinc/08/01/91/1076080191.db2.gz CKNKEDUYKSKEQI-LJWDBELGSA-N 1 0 398.431 -1.000 20 0 GAADRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001589976403 1076080932 /nfs/dbraw/zinc/08/09/32/1076080932.db2.gz KFDQLOYVIBMCQM-GBIKHYSHSA-N 1 0 394.461 -1.120 20 0 GAADRO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001589976406 1076081004 /nfs/dbraw/zinc/08/10/04/1076081004.db2.gz KFDQLOYVIBMCQM-GIPNMCIBSA-N 1 0 394.461 -1.120 20 0 GAADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589986688 1076081914 /nfs/dbraw/zinc/08/19/14/1076081914.db2.gz PPRTYKGEOJDJLS-GWCFXTLKSA-N 1 0 386.416 -1.023 20 0 GAADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589986689 1076081950 /nfs/dbraw/zinc/08/19/50/1076081950.db2.gz PPRTYKGEOJDJLS-GXFFZTMASA-N 1 0 386.416 -1.023 20 0 GAADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589986690 1076081921 /nfs/dbraw/zinc/08/19/21/1076081921.db2.gz PPRTYKGEOJDJLS-MFKMUULPSA-N 1 0 386.416 -1.023 20 0 GAADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001589986691 1076081887 /nfs/dbraw/zinc/08/18/87/1076081887.db2.gz PPRTYKGEOJDJLS-ZWNOBZJWSA-N 1 0 386.416 -1.023 20 0 GAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001590114260 1076084260 /nfs/dbraw/zinc/08/42/60/1076084260.db2.gz MQSHEIWFGQWVLF-UHFFFAOYSA-N 1 0 375.393 -1.155 20 0 GAADRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1=O ZINC001590114366 1076084502 /nfs/dbraw/zinc/08/45/02/1076084502.db2.gz SFDFTONSYVDWNR-UHFFFAOYSA-N 1 0 375.393 -1.155 20 0 GAADRO C[C@]1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001590145091 1076085245 /nfs/dbraw/zinc/08/52/45/1076085245.db2.gz BYEDRTOXWVHOAX-INIZCTEOSA-N 1 0 387.404 -1.059 20 0 GAADRO C[C@@]1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001590145097 1076085264 /nfs/dbraw/zinc/08/52/64/1076085264.db2.gz BYEDRTOXWVHOAX-MRXNPFEDSA-N 1 0 387.404 -1.059 20 0 GAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 ZINC001590162912 1076085773 /nfs/dbraw/zinc/08/57/73/1076085773.db2.gz FKSFWSCAQOREPR-JTQLQIEISA-N 1 0 387.404 -1.221 20 0 GAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 ZINC001590162914 1076085715 /nfs/dbraw/zinc/08/57/15/1076085715.db2.gz FKSFWSCAQOREPR-SNVBAGLBSA-N 1 0 387.404 -1.221 20 0 GAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001590163340 1076085817 /nfs/dbraw/zinc/08/58/17/1076085817.db2.gz IALOCTJFOHOBGJ-JTQLQIEISA-N 1 0 387.404 -1.221 20 0 GAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001590163343 1076085860 /nfs/dbraw/zinc/08/58/60/1076085860.db2.gz IALOCTJFOHOBGJ-SNVBAGLBSA-N 1 0 387.404 -1.221 20 0 GAADRO C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590172768 1076086092 /nfs/dbraw/zinc/08/60/92/1076086092.db2.gz FXKBMVCDRVLMBZ-GXSJLCMTSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590172769 1076086325 /nfs/dbraw/zinc/08/63/25/1076086325.db2.gz FXKBMVCDRVLMBZ-KOLCDFICSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590172770 1076086119 /nfs/dbraw/zinc/08/61/19/1076086119.db2.gz FXKBMVCDRVLMBZ-MWLCHTKSSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590172771 1076086008 /nfs/dbraw/zinc/08/60/08/1076086008.db2.gz FXKBMVCDRVLMBZ-ONGXEEELSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001590173330 1076086306 /nfs/dbraw/zinc/08/63/06/1076086306.db2.gz OPSBNWNLOIKBGG-NXEZZACHSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001590173331 1076086344 /nfs/dbraw/zinc/08/63/44/1076086344.db2.gz OPSBNWNLOIKBGG-UWVGGRQHSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001590173332 1076086375 /nfs/dbraw/zinc/08/63/75/1076086375.db2.gz OPSBNWNLOIKBGG-VHSXEESVSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001590173333 1076086105 /nfs/dbraw/zinc/08/61/05/1076086105.db2.gz OPSBNWNLOIKBGG-ZJUUUORDSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590173515 1076086358 /nfs/dbraw/zinc/08/63/58/1076086358.db2.gz RYMCILYQWOOTJU-GXSJLCMTSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590173519 1076086166 /nfs/dbraw/zinc/08/61/66/1076086166.db2.gz RYMCILYQWOOTJU-KOLCDFICSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590173521 1076086151 /nfs/dbraw/zinc/08/61/51/1076086151.db2.gz RYMCILYQWOOTJU-MWLCHTKSSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590173523 1076086032 /nfs/dbraw/zinc/08/60/32/1076086032.db2.gz RYMCILYQWOOTJU-ONGXEEELSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001590175054 1076086636 /nfs/dbraw/zinc/08/66/36/1076086636.db2.gz IVPKZDAOKIPDFR-AAEUAGOBSA-N 1 0 385.432 -1.483 20 0 GAADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001590175055 1076086600 /nfs/dbraw/zinc/08/66/00/1076086600.db2.gz IVPKZDAOKIPDFR-DGCLKSJQSA-N 1 0 385.432 -1.483 20 0 GAADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001590175056 1076086590 /nfs/dbraw/zinc/08/65/90/1076086590.db2.gz IVPKZDAOKIPDFR-WCQYABFASA-N 1 0 385.432 -1.483 20 0 GAADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001590175057 1076086478 /nfs/dbraw/zinc/08/64/78/1076086478.db2.gz IVPKZDAOKIPDFR-YPMHNXCESA-N 1 0 385.432 -1.483 20 0 GAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590203772 1076086933 /nfs/dbraw/zinc/08/69/33/1076086933.db2.gz BTXBNPQTJDNAOJ-GXSJLCMTSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590203773 1076087048 /nfs/dbraw/zinc/08/70/48/1076087048.db2.gz BTXBNPQTJDNAOJ-KOLCDFICSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590203774 1076086922 /nfs/dbraw/zinc/08/69/22/1076086922.db2.gz BTXBNPQTJDNAOJ-MWLCHTKSSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001590203775 1076086895 /nfs/dbraw/zinc/08/68/95/1076086895.db2.gz BTXBNPQTJDNAOJ-ONGXEEELSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590203959 1076086927 /nfs/dbraw/zinc/08/69/27/1076086927.db2.gz CUPCEXYUKHCOJI-GXSJLCMTSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590203963 1076086917 /nfs/dbraw/zinc/08/69/17/1076086917.db2.gz CUPCEXYUKHCOJI-KOLCDFICSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590203966 1076087053 /nfs/dbraw/zinc/08/70/53/1076087053.db2.gz CUPCEXYUKHCOJI-MWLCHTKSSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590203968 1076087059 /nfs/dbraw/zinc/08/70/59/1076087059.db2.gz CUPCEXYUKHCOJI-ONGXEEELSA-N 1 0 382.450 -1.063 20 0 GAADRO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590204553 1076087068 /nfs/dbraw/zinc/08/70/68/1076087068.db2.gz NXOJOTFKSUISKI-GXSJLCMTSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590204554 1076087003 /nfs/dbraw/zinc/08/70/03/1076087003.db2.gz NXOJOTFKSUISKI-KOLCDFICSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590204555 1076087387 /nfs/dbraw/zinc/08/73/87/1076087387.db2.gz NXOJOTFKSUISKI-MWLCHTKSSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590204556 1076087354 /nfs/dbraw/zinc/08/73/54/1076087354.db2.gz NXOJOTFKSUISKI-ONGXEEELSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)Cn1ncn(C)c1=O ZINC001590210794 1076087427 /nfs/dbraw/zinc/08/74/27/1076087427.db2.gz VRSBUVKVJXSYFA-GHMZBOCLSA-N 1 0 384.404 -1.320 20 0 GAADRO C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)Cn1ncn(C)c1=O ZINC001590210795 1076087408 /nfs/dbraw/zinc/08/74/08/1076087408.db2.gz VRSBUVKVJXSYFA-MNOVXSKESA-N 1 0 384.404 -1.320 20 0 GAADRO C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)Cn1ncn(C)c1=O ZINC001590210796 1076087453 /nfs/dbraw/zinc/08/74/53/1076087453.db2.gz VRSBUVKVJXSYFA-QWRGUYRKSA-N 1 0 384.404 -1.320 20 0 GAADRO C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)Cn1ncn(C)c1=O ZINC001590210797 1076087414 /nfs/dbraw/zinc/08/74/14/1076087414.db2.gz VRSBUVKVJXSYFA-WDEREUQCSA-N 1 0 384.404 -1.320 20 0 GAADRO CC1CCN(C(=O)C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001590266160 1076087938 /nfs/dbraw/zinc/08/79/38/1076087938.db2.gz LRQZRDPLMGRGJG-GFCCVEGCSA-N 1 0 388.432 -1.169 20 0 GAADRO CC1CCN(C(=O)C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001590266161 1076087645 /nfs/dbraw/zinc/08/76/45/1076087645.db2.gz LRQZRDPLMGRGJG-LBPRGKRZSA-N 1 0 388.432 -1.169 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CC[NH2+]1 ZINC001590282481 1076088245 /nfs/dbraw/zinc/08/82/45/1076088245.db2.gz KEPODXSFDHRCOL-GFCCVEGCSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CC[NH2+]1 ZINC001590282483 1076088390 /nfs/dbraw/zinc/08/83/90/1076088390.db2.gz KEPODXSFDHRCOL-LBPRGKRZSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293598 1076090169 /nfs/dbraw/zinc/09/01/69/1076090169.db2.gz IIYZMKYJUSJIBA-BXKDBHETSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293599 1076090200 /nfs/dbraw/zinc/09/02/00/1076090200.db2.gz IIYZMKYJUSJIBA-CABZTGNLSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293600 1076089996 /nfs/dbraw/zinc/08/99/96/1076089996.db2.gz IIYZMKYJUSJIBA-JOYOIKCWSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590293601 1076089973 /nfs/dbraw/zinc/08/99/73/1076089973.db2.gz IIYZMKYJUSJIBA-SKDRFNHKSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295186 1076090294 /nfs/dbraw/zinc/09/02/94/1076090294.db2.gz LREUOHMUOPRABD-BXKDBHETSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295187 1076090236 /nfs/dbraw/zinc/09/02/36/1076090236.db2.gz LREUOHMUOPRABD-CABZTGNLSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295188 1076090072 /nfs/dbraw/zinc/09/00/72/1076090072.db2.gz LREUOHMUOPRABD-JOYOIKCWSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001590295189 1076089954 /nfs/dbraw/zinc/08/99/54/1076089954.db2.gz LREUOHMUOPRABD-SKDRFNHKSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295688 1076090216 /nfs/dbraw/zinc/09/02/16/1076090216.db2.gz XWZKCONSVNGEKU-BXKDBHETSA-N 1 0 382.450 -1.206 20 0 GAADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295690 1076090095 /nfs/dbraw/zinc/09/00/95/1076090095.db2.gz XWZKCONSVNGEKU-CABZTGNLSA-N 1 0 382.450 -1.206 20 0 GAADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295691 1076090137 /nfs/dbraw/zinc/09/01/37/1076090137.db2.gz XWZKCONSVNGEKU-JOYOIKCWSA-N 1 0 382.450 -1.206 20 0 GAADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001590295693 1076090731 /nfs/dbraw/zinc/09/07/31/1076090731.db2.gz XWZKCONSVNGEKU-SKDRFNHKSA-N 1 0 382.450 -1.206 20 0 GAADRO C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001590299149 1076090527 /nfs/dbraw/zinc/09/05/27/1076090527.db2.gz WRMSTCDKXZOCEO-BXKDBHETSA-N 1 0 382.450 -1.206 20 0 GAADRO C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001590299150 1076090477 /nfs/dbraw/zinc/09/04/77/1076090477.db2.gz WRMSTCDKXZOCEO-CABZTGNLSA-N 1 0 382.450 -1.206 20 0 GAADRO C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001590299151 1076090752 /nfs/dbraw/zinc/09/07/52/1076090752.db2.gz WRMSTCDKXZOCEO-JOYOIKCWSA-N 1 0 382.450 -1.206 20 0 GAADRO C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001590299152 1076090483 /nfs/dbraw/zinc/09/04/83/1076090483.db2.gz WRMSTCDKXZOCEO-SKDRFNHKSA-N 1 0 382.450 -1.206 20 0 GAADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC001590318139 1076090905 /nfs/dbraw/zinc/09/09/05/1076090905.db2.gz PWLKWZKXYYTBBR-LLVKDONJSA-N 1 0 386.420 -1.874 20 0 GAADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC001590318140 1076091096 /nfs/dbraw/zinc/09/10/96/1076091096.db2.gz PWLKWZKXYYTBBR-NSHDSACASA-N 1 0 386.420 -1.874 20 0 GAADRO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)[NH+](C)C ZINC001590370152 1076091476 /nfs/dbraw/zinc/09/14/76/1076091476.db2.gz YJCBGGKTNWVEEP-JHJVBQTASA-N 1 0 376.421 -1.164 20 0 GAADRO CC[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590441330 1076091905 /nfs/dbraw/zinc/09/19/05/1076091905.db2.gz UPBWRTSVXZFVLD-JTQLQIEISA-N 1 0 387.404 -1.116 20 0 GAADRO CC[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001590441331 1076091837 /nfs/dbraw/zinc/09/18/37/1076091837.db2.gz UPBWRTSVXZFVLD-SNVBAGLBSA-N 1 0 387.404 -1.116 20 0 GAADRO CC[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001590443111 1076091949 /nfs/dbraw/zinc/09/19/49/1076091949.db2.gz URJPAEALJFUENT-SECBINFHSA-N 1 0 375.393 -1.155 20 0 GAADRO CC[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001590443112 1076091913 /nfs/dbraw/zinc/09/19/13/1076091913.db2.gz URJPAEALJFUENT-VIFPVBQESA-N 1 0 375.393 -1.155 20 0 GAADRO CC[C@]1(C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)CCNC1=O ZINC001590484446 1076091896 /nfs/dbraw/zinc/09/18/96/1076091896.db2.gz RUQVWZAQJXOIPD-KRWDZBQOSA-N 1 0 388.432 -1.167 20 0 GAADRO CC[C@@]1(C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)CCNC1=O ZINC001590484447 1076091814 /nfs/dbraw/zinc/09/18/14/1076091814.db2.gz RUQVWZAQJXOIPD-QGZVFWFLSA-N 1 0 388.432 -1.167 20 0 GAADRO CC[C@@]1(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCNC1=O ZINC001590486855 1076092027 /nfs/dbraw/zinc/09/20/27/1076092027.db2.gz CNBNKPUUOSCETG-APPDUMDISA-N 1 0 388.432 -1.203 20 0 GAADRO CC[C@]1(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCNC1=O ZINC001590486876 1076091867 /nfs/dbraw/zinc/09/18/67/1076091867.db2.gz CNBNKPUUOSCETG-DIFFPNOSSA-N 1 0 388.432 -1.203 20 0 GAADRO CC[C@]1(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCNC1=O ZINC001590486878 1076091826 /nfs/dbraw/zinc/09/18/26/1076091826.db2.gz CNBNKPUUOSCETG-GTNSWQLSSA-N 1 0 388.432 -1.203 20 0 GAADRO CC[C@@]1(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCNC1=O ZINC001590486880 1076092013 /nfs/dbraw/zinc/09/20/13/1076092013.db2.gz CNBNKPUUOSCETG-PIGZYNQJSA-N 1 0 388.432 -1.203 20 0 GAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001590701066 1076094139 /nfs/dbraw/zinc/09/41/39/1076094139.db2.gz UXZJGDQONGSJBA-UHFFFAOYSA-N 1 0 390.452 -1.636 20 0 GAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC001590701160 1076094121 /nfs/dbraw/zinc/09/41/21/1076094121.db2.gz YUWMHRGNNQUAHA-LLVKDONJSA-N 1 0 388.436 -1.499 20 0 GAADRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC001590701161 1076094352 /nfs/dbraw/zinc/09/43/52/1076094352.db2.gz YUWMHRGNNQUAHA-NSHDSACASA-N 1 0 388.436 -1.499 20 0 GAADRO CCN(CC[NH2+]CC(=O)N1CCNC(=O)C1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001590709230 1076094296 /nfs/dbraw/zinc/09/42/96/1076094296.db2.gz NYKXMHCEPVANMK-UHFFFAOYSA-N 1 0 389.420 -1.795 20 0 GAADRO 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AUHRMLFNNTYNDD-UHFFFAOYSA-N 1 0 376.425 -1.124 20 0 GAADRO CNC(=O)NCC(=O)N(C)CCOCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591210441 1076139715 /nfs/dbraw/zinc/13/97/15/1076139715.db2.gz CGXYRRRWBJRNOG-UHFFFAOYSA-N 1 0 377.409 -1.501 20 0 GAADRO CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591210449 1076139666 /nfs/dbraw/zinc/13/96/66/1076139666.db2.gz HCBUXQOYLOMJKW-UHFFFAOYSA-N 1 0 376.421 -1.294 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001591214684 1076140167 /nfs/dbraw/zinc/14/01/67/1076140167.db2.gz BZAHBVXWHQFISW-GFCCVEGCSA-N 1 0 387.448 -1.118 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001591214686 1076140226 /nfs/dbraw/zinc/14/02/26/1076140226.db2.gz BZAHBVXWHQFISW-LBPRGKRZSA-N 1 0 387.448 -1.118 20 0 GAADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)C1 ZINC001591215290 1076139977 /nfs/dbraw/zinc/13/99/77/1076139977.db2.gz ILQSXRQUYQTLHA-GFCCVEGCSA-N 1 0 385.432 -1.269 20 0 GAADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)C1 ZINC001591215291 1076140115 /nfs/dbraw/zinc/14/01/15/1076140115.db2.gz ILQSXRQUYQTLHA-LBPRGKRZSA-N 1 0 385.432 -1.269 20 0 GAADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001591216141 1076140149 /nfs/dbraw/zinc/14/01/49/1076140149.db2.gz PTQMEXQBMQESFQ-GFCCVEGCSA-N 1 0 385.432 -1.269 20 0 GAADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001591216142 1076140241 /nfs/dbraw/zinc/14/02/41/1076140241.db2.gz PTQMEXQBMQESFQ-LBPRGKRZSA-N 1 0 385.432 -1.269 20 0 GAADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001591216145 1076140018 /nfs/dbraw/zinc/14/00/18/1076140018.db2.gz PWFQNQDGZWYSIU-GFCCVEGCSA-N 1 0 387.448 -1.118 20 0 GAADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001591216146 1076140008 /nfs/dbraw/zinc/14/00/08/1076140008.db2.gz PWFQNQDGZWYSIU-LBPRGKRZSA-N 1 0 387.448 -1.118 20 0 GAADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001591216177 1076140048 /nfs/dbraw/zinc/14/00/48/1076140048.db2.gz QVCHWQLTTZUYHA-JTQLQIEISA-N 1 0 390.452 -1.719 20 0 GAADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001591216178 1076140088 /nfs/dbraw/zinc/14/00/88/1076140088.db2.gz QVCHWQLTTZUYHA-SNVBAGLBSA-N 1 0 390.452 -1.719 20 0 GAADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCn2ncn(C)c2=O)c1-c1nn[nH]n1 ZINC001591216763 1076140032 /nfs/dbraw/zinc/14/00/32/1076140032.db2.gz FPBARZAAWCYUJE-UHFFFAOYSA-N 1 0 375.397 -1.334 20 0 GAADRO C[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC001591217123 1076140708 /nfs/dbraw/zinc/14/07/08/1076140708.db2.gz YTBXRKDJZWANRR-UHFFFAOYSA-N 1 0 376.396 -1.010 20 0 GAADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1-c1nn[nH]n1 ZINC001591217137 1076140598 /nfs/dbraw/zinc/14/05/98/1076140598.db2.gz ZJFSAHJMRCTIBV-UHFFFAOYSA-N 1 0 388.392 -1.609 20 0 GAADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001591217527 1076140647 /nfs/dbraw/zinc/14/06/47/1076140647.db2.gz IMBKSCJXAZNUCU-CYBMUJFWSA-N 1 0 399.459 -1.022 20 0 GAADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001591217528 1076140695 /nfs/dbraw/zinc/14/06/95/1076140695.db2.gz IMBKSCJXAZNUCU-ZDUSSCGKSA-N 1 0 399.459 -1.022 20 0 GAADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001591217975 1076140732 /nfs/dbraw/zinc/14/07/32/1076140732.db2.gz IYDBAOBTTKDTII-UHFFFAOYSA-N 1 0 387.448 -1.022 20 0 GAADRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(OC)CS(=O)(=O)C2)c1-c1nn[nH]n1 ZINC001591218607 1076140687 /nfs/dbraw/zinc/14/06/87/1076140687.db2.gz VVAYOZMVNKJHTK-UHFFFAOYSA-N 1 0 384.422 -1.506 20 0 GAADRO C[NH2+]CCOCCNC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001591218911 1076140620 /nfs/dbraw/zinc/14/06/20/1076140620.db2.gz LEEZZMZSEQHONE-UHFFFAOYSA-N 1 0 392.468 -1.024 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591219354 1076140968 /nfs/dbraw/zinc/14/09/68/1076140968.db2.gz DVHSNQOKHOVECH-JTQLQIEISA-N 1 0 382.450 -1.070 20 0 GAADRO CNS(=O)(=O)CC(=O)N[C@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591219358 1076141203 /nfs/dbraw/zinc/14/12/03/1076141203.db2.gz DVHSNQOKHOVECH-SNVBAGLBSA-N 1 0 382.450 -1.070 20 0 GAADRO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001591219377 1076140978 /nfs/dbraw/zinc/14/09/78/1076140978.db2.gz FSEWSASANIDKLG-NOZJJQNGSA-N 1 0 394.461 -1.200 20 0 GAADRO CNS(=O)(=O)CC(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001591219624 1076141527 /nfs/dbraw/zinc/14/15/27/1076141527.db2.gz QQXOVOARYNXLAW-UHFFFAOYSA-N 1 0 382.450 -1.198 20 0 GAADRO CNS(=O)(=O)NCC(=O)NCC=CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591219942 1076142019 /nfs/dbraw/zinc/14/20/19/1076142019.db2.gz FLTCQXRAQDGUHL-IHWYPQMZSA-N 1 0 381.422 -2.178 20 0 GAADRO CNS(=O)(=O)NCC(=O)NCC=CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591219943 1076142106 /nfs/dbraw/zinc/14/21/06/1076142106.db2.gz FLTCQXRAQDGUHL-NSCUHMNNSA-N 1 0 381.422 -2.178 20 0 GAADRO CNS(=O)(=O)NCC(=O)NCCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591220009 1076142114 /nfs/dbraw/zinc/14/21/14/1076142114.db2.gz IJQNADWQYAXUGP-UHFFFAOYSA-N 1 0 383.438 -1.742 20 0 GAADRO CNS(=O)(=O)NCC(=O)NCCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001591220083 1076142610 /nfs/dbraw/zinc/14/26/10/1076142610.db2.gz LJKVCRPQSRSNIS-UHFFFAOYSA-N 1 0 383.438 -2.036 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591220285 1076142650 /nfs/dbraw/zinc/14/26/50/1076142650.db2.gz WTDVXRFKZRPLKY-UHFFFAOYSA-N 1 0 388.479 -1.470 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591220316 1076142579 /nfs/dbraw/zinc/14/25/79/1076142579.db2.gz XGAAJVCGASMCHC-UHFFFAOYSA-N 1 0 382.450 -1.532 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591220455 1076142915 /nfs/dbraw/zinc/14/29/15/1076142915.db2.gz SLEHXKWFAFQOFE-UHFFFAOYSA-N 1 0 383.438 -2.002 20 0 GAADRO COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001591285986 1076147291 /nfs/dbraw/zinc/14/72/91/1076147291.db2.gz PBBFIFJSUFDPHG-HNNXBMFYSA-N 1 0 396.429 -1.002 20 0 GAADRO COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001591285987 1076147464 /nfs/dbraw/zinc/14/74/64/1076147464.db2.gz PBBFIFJSUFDPHG-OAHLLOKOSA-N 1 0 396.429 -1.002 20 0 GAADRO COCC(=O)N[C@H](C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001591367575 1076149788 /nfs/dbraw/zinc/14/97/88/1076149788.db2.gz UQLQWUZWXIFWSV-AWEZNQCLSA-N 1 0 376.421 -1.001 20 0 GAADRO COC[C@@H](O)C[NH+]1CCN(CCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001591380457 1076150199 /nfs/dbraw/zinc/15/01/99/1076150199.db2.gz DAKWEEJVQOBADS-AWEZNQCLSA-N 1 0 392.464 -1.060 20 0 GAADRO COC[C@H](O)C[NH+]1CCN(CCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001591380459 1076150254 /nfs/dbraw/zinc/15/02/54/1076150254.db2.gz DAKWEEJVQOBADS-CQSZACIVSA-N 1 0 392.464 -1.060 20 0 GAADRO COC[C@@H](O)C[NH+]1CCN(CCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001591381069 1076150209 /nfs/dbraw/zinc/15/02/09/1076150209.db2.gz TWVREIVILSAHTF-ZDUSSCGKSA-N 1 0 392.464 -1.060 20 0 GAADRO COCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001591420782 1076151770 /nfs/dbraw/zinc/15/17/70/1076151770.db2.gz PMNJXNGTSSYMPX-UHFFFAOYSA-N 1 0 397.461 -1.161 20 0 GAADRO COCC[N@H+](C)C[C@H](O)CN1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001591420887 1076151683 /nfs/dbraw/zinc/15/16/83/1076151683.db2.gz KZWSVVJVQMDHCB-AWEZNQCLSA-N 1 0 393.496 -1.030 20 0 GAADRO COCC[N@H+](C)C[C@@H](O)CN1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 ZINC001591420891 1076151744 /nfs/dbraw/zinc/15/17/44/1076151744.db2.gz KZWSVVJVQMDHCB-CQSZACIVSA-N 1 0 393.496 -1.030 20 0 GAADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(-c2nn[nH]n2)cs1 ZINC001591424284 1076152830 /nfs/dbraw/zinc/15/28/30/1076152830.db2.gz VJBVRYOCYKBPJQ-UHFFFAOYSA-N 1 0 382.450 -1.024 20 0 GAADRO COCC[NH2+]CCNC(=O)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591430371 1076153238 /nfs/dbraw/zinc/15/32/38/1076153238.db2.gz BZSYWAVCPONKJL-UHFFFAOYSA-N 1 0 389.416 -1.192 20 0 GAADRO COCC[NH2+]CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591430903 1076153196 /nfs/dbraw/zinc/15/31/96/1076153196.db2.gz OPKXUGNKDQZEPS-UHFFFAOYSA-N 1 0 383.434 -1.503 20 0 GAADRO COCCOCC(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591435971 1076154648 /nfs/dbraw/zinc/15/46/48/1076154648.db2.gz GHXZKINZAMHBRC-GFCCVEGCSA-N 1 0 377.405 -1.014 20 0 GAADRO COCCOCC(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591435972 1076155198 /nfs/dbraw/zinc/15/51/98/1076155198.db2.gz GHXZKINZAMHBRC-LBPRGKRZSA-N 1 0 377.405 -1.014 20 0 GAADRO COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591437223 1076155234 /nfs/dbraw/zinc/15/52/34/1076155234.db2.gz SMOMFXPYQFRFSI-CXTNEJHOSA-N 1 0 391.432 -1.121 20 0 GAADRO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591437230 1076155421 /nfs/dbraw/zinc/15/54/21/1076155421.db2.gz SMOMFXPYQFRFSI-RMRHIDDWSA-N 1 0 391.432 -1.121 20 0 GAADRO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001591437623 1076155647 /nfs/dbraw/zinc/15/56/47/1076155647.db2.gz UUPRSIMPSIWAFP-BNOWGMLFSA-N 1 0 395.420 -2.006 20 0 GAADRO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001591437624 1076155619 /nfs/dbraw/zinc/15/56/19/1076155619.db2.gz UUPRSIMPSIWAFP-YUTCNCBUSA-N 1 0 395.420 -2.006 20 0 GAADRO COCCS(=O)(=O)CC(=O)NCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001591446715 1076156152 /nfs/dbraw/zinc/15/61/52/1076156152.db2.gz WHZSFUZLVPSVEH-UHFFFAOYSA-N 1 0 383.434 -1.419 20 0 GAADRO COC[C@@H](O)C[NH+]1CCN(CCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001591452318 1076156476 /nfs/dbraw/zinc/15/64/76/1076156476.db2.gz HFXLLGOLWDLYDO-AWEZNQCLSA-N 1 0 392.464 -1.060 20 0 GAADRO CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001591469502 1076157177 /nfs/dbraw/zinc/15/71/77/1076157177.db2.gz DHTKZFSTXRRIHW-DMDPSCGWSA-N 1 0 387.404 -1.429 20 0 GAADRO CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001591469504 1076157099 /nfs/dbraw/zinc/15/70/99/1076157099.db2.gz DHTKZFSTXRRIHW-NQBHXWOUSA-N 1 0 387.404 -1.429 20 0 GAADRO CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001591469632 1076157153 /nfs/dbraw/zinc/15/71/53/1076157153.db2.gz LCZPTVSXVLRGHR-ZIAGYGMSSA-N 1 0 384.404 -1.131 20 0 GAADRO CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)CCn1cnnn1 ZINC001591470030 1076157219 /nfs/dbraw/zinc/15/72/19/1076157219.db2.gz WXCBUTOHBKLFPA-TZMCWYRMSA-N 1 0 399.419 -1.033 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001591557619 1076160601 /nfs/dbraw/zinc/16/06/01/1076160601.db2.gz QLXWDBRZWGBZAF-GFCCVEGCSA-N 1 0 377.405 -1.388 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001591557622 1076160636 /nfs/dbraw/zinc/16/06/36/1076160636.db2.gz QLXWDBRZWGBZAF-LBPRGKRZSA-N 1 0 377.405 -1.388 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001591558769 1076160468 /nfs/dbraw/zinc/16/04/68/1076160468.db2.gz QVXXRYHVTRQDCC-GFCCVEGCSA-N 1 0 391.432 -1.047 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001591558773 1076160646 /nfs/dbraw/zinc/16/06/46/1076160646.db2.gz QVXXRYHVTRQDCC-LBPRGKRZSA-N 1 0 391.432 -1.047 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001591558837 1076160538 /nfs/dbraw/zinc/16/05/38/1076160538.db2.gz YYTDOUDGCPZWDQ-CHWSQXEVSA-N 1 0 389.416 -1.422 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001591558838 1076160441 /nfs/dbraw/zinc/16/04/41/1076160441.db2.gz YYTDOUDGCPZWDQ-OLZOCXBDSA-N 1 0 389.416 -1.422 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001591558839 1076160427 /nfs/dbraw/zinc/16/04/27/1076160427.db2.gz YYTDOUDGCPZWDQ-QWHCGFSZSA-N 1 0 389.416 -1.422 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001591558840 1076160526 /nfs/dbraw/zinc/16/05/26/1076160526.db2.gz YYTDOUDGCPZWDQ-STQMWFEESA-N 1 0 389.416 -1.422 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001591558847 1076160630 /nfs/dbraw/zinc/16/06/30/1076160630.db2.gz ZWVWIYPXPFYJJO-GFCCVEGCSA-N 1 0 389.416 -1.293 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001591558848 1076160571 /nfs/dbraw/zinc/16/05/71/1076160571.db2.gz ZWVWIYPXPFYJJO-LBPRGKRZSA-N 1 0 389.416 -1.293 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001591561695 1076160476 /nfs/dbraw/zinc/16/04/76/1076160476.db2.gz MEDPOQYDFJWODZ-UHFFFAOYSA-N 1 0 388.388 -1.367 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001591561951 1076160554 /nfs/dbraw/zinc/16/05/54/1076160554.db2.gz RXEMYKUEHJFEPL-UHFFFAOYSA-N 1 0 389.416 -1.060 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001591562274 1076161114 /nfs/dbraw/zinc/16/11/14/1076161114.db2.gz WZGUZBPRFBCBIH-UHFFFAOYSA-N 1 0 387.404 -1.324 20 0 GAADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001591562395 1076161136 /nfs/dbraw/zinc/16/11/36/1076161136.db2.gz IGCDJDXFRWRNBG-UHFFFAOYSA-N 1 0 389.416 -1.196 20 0 GAADRO COc1ccc(C[N@H+](C)CCOCCNC(=O)C(N)=O)cc1-c1nn[nH]n1 ZINC001591587060 1076161012 /nfs/dbraw/zinc/16/10/12/1076161012.db2.gz NZTQGORYALGDHB-UHFFFAOYSA-N 1 0 377.405 -1.075 20 0 GAADRO COc1ccc(C[NH+]2CCC(CO)(NC(=O)C(N)=O)CC2)cc1-c1nn[nH]n1 ZINC001591588505 1076161036 /nfs/dbraw/zinc/16/10/36/1076161036.db2.gz SRKVTNXZYVQIPM-UHFFFAOYSA-N 1 0 389.416 -1.196 20 0 GAADRO COc1ccc(C[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)cc1-c1nn[nH]n1 ZINC001591589623 1076161684 /nfs/dbraw/zinc/16/16/84/1076161684.db2.gz LUVUODIJNHJGRU-INIZCTEOSA-N 1 0 375.389 -1.586 20 0 GAADRO COc1ccc(C[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)cc1-c1nn[nH]n1 ZINC001591589627 1076161557 /nfs/dbraw/zinc/16/15/57/1076161557.db2.gz LUVUODIJNHJGRU-MRXNPFEDSA-N 1 0 375.389 -1.586 20 0 GAADRO COc1ccc(C[N@@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)cc1-c1nn[nH]n1 ZINC001591589872 1076161636 /nfs/dbraw/zinc/16/16/36/1076161636.db2.gz PMMDHUVAYYYFMS-KRWDZBQOSA-N 1 0 389.416 -1.196 20 0 GAADRO COc1ccc(C[N@@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)cc1-c1nn[nH]n1 ZINC001591589875 1076161390 /nfs/dbraw/zinc/16/13/90/1076161390.db2.gz PMMDHUVAYYYFMS-QGZVFWFLSA-N 1 0 389.416 -1.196 20 0 GAADRO COc1ccc(C[NH2+][C@@]2(CO)CCCN(C(=O)C(N)=O)C2)cc1-c1nn[nH]n1 ZINC001591597149 1076161468 /nfs/dbraw/zinc/16/14/68/1076161468.db2.gz HLNQDJKDXPEDFR-KRWDZBQOSA-N 1 0 389.416 -1.196 20 0 GAADRO COc1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)C(N)=O)C2)cc1-c1nn[nH]n1 ZINC001591597150 1076161658 /nfs/dbraw/zinc/16/16/58/1076161658.db2.gz HLNQDJKDXPEDFR-QGZVFWFLSA-N 1 0 389.416 -1.196 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O)cc1-c1nn[nH]n1 ZINC001591597761 1076161430 /nfs/dbraw/zinc/16/14/30/1076161430.db2.gz NWZTWSIOSTYMBK-LLVKDONJSA-N 1 0 391.432 -1.047 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O)cc1-c1nn[nH]n1 ZINC001591597762 1076162101 /nfs/dbraw/zinc/16/21/01/1076162101.db2.gz NWZTWSIOSTYMBK-NSHDSACASA-N 1 0 391.432 -1.047 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C2(C(N)=O)CC2)cc1-c1nn[nH]n1 ZINC001591597996 1076161961 /nfs/dbraw/zinc/16/19/61/1076161961.db2.gz YYQMBXMJILIDDB-LLVKDONJSA-N 1 0 389.416 -1.293 20 0 GAADRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C2(C(N)=O)CC2)cc1-c1nn[nH]n1 ZINC001591597997 1076161897 /nfs/dbraw/zinc/16/18/97/1076161897.db2.gz YYQMBXMJILIDDB-NSHDSACASA-N 1 0 389.416 -1.293 20 0 GAADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1-c1nn[nH]n1 ZINC001591598031 1076162085 /nfs/dbraw/zinc/16/20/85/1076162085.db2.gz FKSKXQQDZBEIPW-LLVKDONJSA-N 1 0 375.389 -1.322 20 0 GAADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)cc1-c1nn[nH]n1 ZINC001591598032 1076161949 /nfs/dbraw/zinc/16/19/49/1076161949.db2.gz FKSKXQQDZBEIPW-NSHDSACASA-N 1 0 375.389 -1.322 20 0 GAADRO COc1ccc(C[NH2+]CCOCCN(C)C(=O)C(N)=O)cc1-c1nn[nH]n1 ZINC001591599578 1076162038 /nfs/dbraw/zinc/16/20/38/1076162038.db2.gz NEEIUWOQBDUKCD-UHFFFAOYSA-N 1 0 377.405 -1.075 20 0 GAADRO CS(=O)(=O)CC(=O)N(CCO)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591672978 1076162651 /nfs/dbraw/zinc/16/26/51/1076162651.db2.gz BWJDZZRJNDURBI-UHFFFAOYSA-N 1 0 382.446 -1.178 20 0 GAADRO CS(=O)(=O)NCCC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591678362 1076164650 /nfs/dbraw/zinc/16/46/50/1076164650.db2.gz RZRWGHYKJIUKQK-IHWYPQMZSA-N 1 0 380.434 -1.293 20 0 GAADRO CS(=O)(=O)NCCC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591678363 1076164594 /nfs/dbraw/zinc/16/45/94/1076164594.db2.gz RZRWGHYKJIUKQK-NSCUHMNNSA-N 1 0 380.434 -1.293 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001591679447 1076165007 /nfs/dbraw/zinc/16/50/07/1076165007.db2.gz CQURIIONXBMIBA-MGCOHNPYSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001591679539 1076164979 /nfs/dbraw/zinc/16/49/79/1076164979.db2.gz LGYRRYOWCICYTI-HOMQSWHASA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001591679540 1076165040 /nfs/dbraw/zinc/16/50/40/1076165040.db2.gz LGYRRYOWCICYTI-UHFFFAOYSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001591679546 1076165077 /nfs/dbraw/zinc/16/50/77/1076165077.db2.gz LQSDRKLPAWDUCN-SNVBAGLBSA-N 1 0 382.450 -1.062 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001591679605 1076165133 /nfs/dbraw/zinc/16/51/33/1076165133.db2.gz PTKDXWYHYGJAOG-GFCCVEGCSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001591679606 1076165081 /nfs/dbraw/zinc/16/50/81/1076165081.db2.gz PTKDXWYHYGJAOG-LBPRGKRZSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001591679630 1076165062 /nfs/dbraw/zinc/16/50/62/1076165062.db2.gz RCZKPCAHBBSQHN-NSHDSACASA-N 1 0 382.450 -1.062 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001591679667 1076165069 /nfs/dbraw/zinc/16/50/69/1076165069.db2.gz UGINDLOYZBKPCZ-UHFFFAOYSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001591679674 1076165030 /nfs/dbraw/zinc/16/50/30/1076165030.db2.gz UVRBPSBJJZDLPO-GFCCVEGCSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001591679675 1076165122 /nfs/dbraw/zinc/16/51/22/1076165122.db2.gz UVRBPSBJJZDLPO-LBPRGKRZSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 ZINC001591679692 1076165003 /nfs/dbraw/zinc/16/50/03/1076165003.db2.gz WSYAQHLUHCQTLQ-UHFFFAOYSA-N 1 0 382.450 -1.014 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001591679702 1076164989 /nfs/dbraw/zinc/16/49/89/1076164989.db2.gz XDQWPGBCYTUKPC-GFCCVEGCSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001591679703 1076165142 /nfs/dbraw/zinc/16/51/42/1076165142.db2.gz XDQWPGBCYTUKPC-LBPRGKRZSA-N 1 0 382.450 -1.158 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001591679720 1076165610 /nfs/dbraw/zinc/16/56/10/1076165610.db2.gz YEXALTCCUDISQQ-LLVKDONJSA-N 1 0 382.450 -1.062 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001591679729 1076165509 /nfs/dbraw/zinc/16/55/09/1076165509.db2.gz ZAFXMJIWYSHZJT-NSHDSACASA-N 1 0 382.450 -1.062 20 0 GAADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001591679742 1076165542 /nfs/dbraw/zinc/16/55/42/1076165542.db2.gz ZTNDUWAIZZBRJO-MGCOHNPYSA-N 1 0 382.450 -1.158 20 0 GAADRO C[C@@H](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001591721553 1076166446 /nfs/dbraw/zinc/16/64/46/1076166446.db2.gz BZWKXEFSRAYCQF-VIFPVBQESA-N 1 0 375.393 -1.155 20 0 GAADRO C[C@@H](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001591721668 1076166360 /nfs/dbraw/zinc/16/63/60/1076166360.db2.gz SSIGTRFKXRSXEC-VIFPVBQESA-N 1 0 375.393 -1.155 20 0 GAADRO C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001591723684 1076166464 /nfs/dbraw/zinc/16/64/64/1076166464.db2.gz JHADZKSXPUGNMH-VIFPVBQESA-N 1 0 375.393 -1.155 20 0 GAADRO C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001591723742 1076166377 /nfs/dbraw/zinc/16/63/77/1076166377.db2.gz RQOVJJITVDCSDM-VIFPVBQESA-N 1 0 375.393 -1.155 20 0 GAADRO C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001591723782 1076166369 /nfs/dbraw/zinc/16/63/69/1076166369.db2.gz XQPOUNCTEXLJSJ-JTQLQIEISA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001591725252 1076166438 /nfs/dbraw/zinc/16/64/38/1076166438.db2.gz HEBDHYQLCUSOOD-QMMMGPOBSA-N 1 0 387.360 -1.979 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)CC[NH2+]1 ZINC001591736042 1076166895 /nfs/dbraw/zinc/16/68/95/1076166895.db2.gz JPJFJMLYFWPXFU-GFCCVEGCSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)CC[NH2+]1 ZINC001591736115 1076166832 /nfs/dbraw/zinc/16/68/32/1076166832.db2.gz OIJQYDSPFAOOBS-GFCCVEGCSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3-c3nn[nH]n3)CC2)CC[NH2+]1 ZINC001591736131 1076167010 /nfs/dbraw/zinc/16/70/10/1076167010.db2.gz PLXUPMGOPRNNMM-GFCCVEGCSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591738290 1076167406 /nfs/dbraw/zinc/16/74/06/1076167406.db2.gz NYXIAQCWUCWPCX-CHWSQXEVSA-N 1 0 399.459 -1.378 20 0 GAADRO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591738293 1076167382 /nfs/dbraw/zinc/16/73/82/1076167382.db2.gz OCRBMSAVDLRJKB-ZWNOBZJWSA-N 1 0 399.415 -1.164 20 0 GAADRO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591738779 1076167443 /nfs/dbraw/zinc/16/74/43/1076167443.db2.gz HABAMBLMXOTSCG-ZWNOBZJWSA-N 1 0 397.399 -1.095 20 0 GAADRO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591743206 1076167785 /nfs/dbraw/zinc/16/77/85/1076167785.db2.gz WQIWMQATRGYBJH-BXKDBHETSA-N 1 0 387.404 -1.203 20 0 GAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001591749682 1076169046 /nfs/dbraw/zinc/16/90/46/1076169046.db2.gz FEONRVBGJALVMU-GFCCVEGCSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001591749898 1076169004 /nfs/dbraw/zinc/16/90/04/1076169004.db2.gz MFRURIGICSDWOY-GFCCVEGCSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 ZINC001591750058 1076169100 /nfs/dbraw/zinc/16/91/00/1076169100.db2.gz RTGBLPHCWFOZQW-GFCCVEGCSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001591753453 1076168928 /nfs/dbraw/zinc/16/89/28/1076168928.db2.gz BIOWUFNADQKYPZ-WCQYABFASA-N 1 0 385.432 -1.223 20 0 GAADRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001591755620 1076169855 /nfs/dbraw/zinc/16/98/55/1076169855.db2.gz JPTGTHHSGKWSSP-KOLCDFICSA-N 1 0 387.404 -1.061 20 0 GAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC001591760628 1076170093 /nfs/dbraw/zinc/17/00/93/1076170093.db2.gz RBRLLYNVMJFWRJ-MFKMUULPSA-N 1 0 386.416 -1.058 20 0 GAADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC001591760629 1076170100 /nfs/dbraw/zinc/17/01/00/1076170100.db2.gz RBRLLYNVMJFWRJ-ZWNOBZJWSA-N 1 0 386.416 -1.058 20 0 GAADRO C[C@H](C[NH2+]C[C@H](O)CN1C(=O)CCC1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591761820 1076170367 /nfs/dbraw/zinc/17/03/67/1076170367.db2.gz KBTCQJOZWADOFL-KOLCDFICSA-N 1 0 390.404 -1.587 20 0 GAADRO C[C@H](C[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591761822 1076170417 /nfs/dbraw/zinc/17/04/17/1076170417.db2.gz KBTCQJOZWADOFL-MWLCHTKSSA-N 1 0 390.404 -1.587 20 0 GAADRO C[C@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001591761899 1076170345 /nfs/dbraw/zinc/17/03/45/1076170345.db2.gz PCYFRSIURJTFEG-SNVBAGLBSA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001591762241 1076170375 /nfs/dbraw/zinc/17/03/75/1076170375.db2.gz RQOVJJITVDCSDM-SECBINFHSA-N 1 0 375.393 -1.155 20 0 GAADRO C[C@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001591762320 1076170477 /nfs/dbraw/zinc/17/04/77/1076170477.db2.gz XQPOUNCTEXLJSJ-SNVBAGLBSA-N 1 0 382.450 -1.062 20 0 GAADRO C[C@H](NC(N)=O)C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591768783 1076170392 /nfs/dbraw/zinc/17/03/92/1076170392.db2.gz FTDZAUTWTZDNFF-NSHDSACASA-N 1 0 376.421 -1.166 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC[NH2+]1 ZINC001591772353 1076170331 /nfs/dbraw/zinc/17/03/31/1076170331.db2.gz TZZIPGMGHVJSGJ-LBPRGKRZSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CC[NH2+]1 ZINC001591772404 1076170338 /nfs/dbraw/zinc/17/03/38/1076170338.db2.gz XHAQELDOMBWOMY-LBPRGKRZSA-N 1 0 385.432 -1.269 20 0 GAADRO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001591890077 1076174315 /nfs/dbraw/zinc/17/43/15/1076174315.db2.gz FXTSVESQVLPHEV-CHWSQXEVSA-N 1 0 385.432 -1.273 20 0 GAADRO Cc1cc(N(C)CCCNC(=O)CN2CCNC(=O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996609 1076176997 /nfs/dbraw/zinc/17/69/97/1076176997.db2.gz XGASBFRXHQZGTE-UHFFFAOYSA-N 1 0 387.448 -1.056 20 0 GAADRO 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NC(=O)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001592714232 1076198187 /nfs/dbraw/zinc/19/81/87/1076198187.db2.gz JSWRXDMMAABTPY-MRXNPFEDSA-N 1 0 377.380 -1.066 20 0 GAADRO NC(=O)C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001592714236 1076198069 /nfs/dbraw/zinc/19/80/69/1076198069.db2.gz JWWBFYMHFSPBMT-WDEREUQCSA-N 1 0 392.401 -2.439 20 0 GAADRO NC(=O)C(=O)NC1(CO)CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001592714331 1076198484 /nfs/dbraw/zinc/19/84/84/1076198484.db2.gz LFLCXALRSHYFII-UHFFFAOYSA-N 1 0 377.380 -1.066 20 0 GAADRO NC(=O)C(=O)NC1(CO)CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001592715566 1076198522 /nfs/dbraw/zinc/19/85/22/1076198522.db2.gz XSWMYLMLYPGWJV-UHFFFAOYSA-N 1 0 377.380 -1.066 20 0 GAADRO NC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001592718305 1076199376 /nfs/dbraw/zinc/19/93/76/1076199376.db2.gz KARLLKICOHTOBB-JTQLQIEISA-N 1 0 377.380 -1.162 20 0 GAADRO NC(=O)C1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001592718306 1076199511 /nfs/dbraw/zinc/19/95/11/1076199511.db2.gz KARLLKICOHTOBB-SNVBAGLBSA-N 1 0 377.380 -1.162 20 0 GAADRO NC(=O)C1(C(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001592718490 1076199356 /nfs/dbraw/zinc/19/93/56/1076199356.db2.gz QFADSPYKPOSOSW-LLVKDONJSA-N 1 0 377.380 -1.162 20 0 GAADRO NC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001592718491 1076199507 /nfs/dbraw/zinc/19/95/07/1076199507.db2.gz QFADSPYKPOSOSW-NSHDSACASA-N 1 0 377.380 -1.162 20 0 GAADRO NC(=O)[C@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001592724580 1076200520 /nfs/dbraw/zinc/20/05/20/1076200520.db2.gz UEEQZEYSQKTHNZ-HZSPNIEDSA-N 1 0 398.427 -1.119 20 0 GAADRO NC(=O)[C@@H]1C[NH+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001592724582 1076200416 /nfs/dbraw/zinc/20/04/16/1076200416.db2.gz UEEQZEYSQKTHNZ-MCIONIFRSA-N 1 0 398.427 -1.119 20 0 GAADRO NC(=O)[C@@H]1C[NH+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001592724584 1076200413 /nfs/dbraw/zinc/20/04/13/1076200413.db2.gz UEEQZEYSQKTHNZ-MGPQQGTHSA-N 1 0 398.427 -1.119 20 0 GAADRO NC(=O)[C@H]1C[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C(N)=O ZINC001592724586 1076200320 /nfs/dbraw/zinc/20/03/20/1076200320.db2.gz UEEQZEYSQKTHNZ-MJBXVCDLSA-N 1 0 398.427 -1.119 20 0 GAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)nn1 ZINC001592729653 1076201869 /nfs/dbraw/zinc/20/18/69/1076201869.db2.gz GUEZCWQUFXCBEE-UHFFFAOYSA-N 1 0 388.367 -1.398 20 0 GAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)nn1 ZINC001592730683 1076201857 /nfs/dbraw/zinc/20/18/57/1076201857.db2.gz RKOXQISLZNFSIX-UHFFFAOYSA-N 1 0 376.406 -1.475 20 0 GAADRO NC(=O)Cn1cc(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)nn1 ZINC001592730705 1076201697 /nfs/dbraw/zinc/20/16/97/1076201697.db2.gz SYYOGIYKBUEGMV-UHFFFAOYSA-N 1 0 390.433 -1.085 20 0 GAADRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)nn1 ZINC001592730711 1076202192 /nfs/dbraw/zinc/20/21/92/1076202192.db2.gz TVTFNMVLIHCPHH-UHFFFAOYSA-N 1 0 388.367 -1.398 20 0 GAADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001592733071 1076203008 /nfs/dbraw/zinc/20/30/08/1076203008.db2.gz VDPMEFAZLVYDND-MNOVXSKESA-N 1 0 379.446 -1.040 20 0 GAADRO NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1cccnc1-c1nnn[n-]1 ZINC001592733318 1076202946 /nfs/dbraw/zinc/20/29/46/1076202946.db2.gz TVGKSQLQBVUYGN-JTQLQIEISA-N 1 0 380.434 -1.120 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)O1 ZINC001592733478 1076202998 /nfs/dbraw/zinc/20/29/98/1076202998.db2.gz XVZDFWGMGGIIFA-DVVUODLYSA-N 1 0 395.445 -1.472 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)O1 ZINC001592733480 1076203066 /nfs/dbraw/zinc/20/30/66/1076203066.db2.gz XVZDFWGMGGIIFA-INTQDDNPSA-N 1 0 395.445 -1.472 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)O1 ZINC001592733544 1076203071 /nfs/dbraw/zinc/20/30/71/1076203071.db2.gz ZXWOVPHFYXHQDK-DVVUODLYSA-N 1 0 395.445 -1.472 20 0 GAADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)O1 ZINC001592733547 1076202985 /nfs/dbraw/zinc/20/29/85/1076202985.db2.gz ZXWOVPHFYXHQDK-INTQDDNPSA-N 1 0 395.445 -1.472 20 0 GAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001592738473 1076203454 /nfs/dbraw/zinc/20/34/54/1076203454.db2.gz QECFQIDMBYEZTH-UHFFFAOYSA-N 1 0 384.404 -1.147 20 0 GAADRO NC(=O)c1ncn(CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001592738908 1076203616 /nfs/dbraw/zinc/20/36/16/1076203616.db2.gz YKJDKZLLUABRBA-UHFFFAOYSA-N 1 0 388.367 -1.398 20 0 GAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001592739006 1076203326 /nfs/dbraw/zinc/20/33/26/1076203326.db2.gz ZCTYGMUNCGZCAJ-UHFFFAOYSA-N 1 0 384.404 -1.147 20 0 GAADRO NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001592739007 1076203566 /nfs/dbraw/zinc/20/35/66/1076203566.db2.gz ZDGDMBJENVUJOO-UHFFFAOYSA-N 1 0 390.433 -1.085 20 0 GAADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)C1CC1 ZINC001592739131 1076203538 /nfs/dbraw/zinc/20/35/38/1076203538.db2.gz IWRBWSJGPAWKEL-CYBMUJFWSA-N 1 0 385.432 -1.236 20 0 GAADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)C1CC1 ZINC001592739132 1076203403 /nfs/dbraw/zinc/20/34/03/1076203403.db2.gz IWRBWSJGPAWKEL-ZDUSSCGKSA-N 1 0 385.432 -1.236 20 0 GAADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001592739381 1076203437 /nfs/dbraw/zinc/20/34/37/1076203437.db2.gz AULSUZIDHAWRMN-CYBMUJFWSA-N 1 0 385.432 -1.236 20 0 GAADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001592739382 1076203629 /nfs/dbraw/zinc/20/36/29/1076203629.db2.gz AULSUZIDHAWRMN-ZDUSSCGKSA-N 1 0 385.432 -1.236 20 0 GAADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001592739513 1076203380 /nfs/dbraw/zinc/20/33/80/1076203380.db2.gz OWNDCCOTEOAZLF-CYBMUJFWSA-N 1 0 385.432 -1.236 20 0 GAADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001592739514 1076203550 /nfs/dbraw/zinc/20/35/50/1076203550.db2.gz OWNDCCOTEOAZLF-ZDUSSCGKSA-N 1 0 385.432 -1.236 20 0 GAADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001592742463 1076203928 /nfs/dbraw/zinc/20/39/28/1076203928.db2.gz DIARFETZDHOGPC-UHFFFAOYSA-N 1 0 397.443 -1.140 20 0 GAADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001592742925 1076203906 /nfs/dbraw/zinc/20/39/06/1076203906.db2.gz WKYJHDFBFFMPCP-CYBMUJFWSA-N 1 0 385.432 -1.236 20 0 GAADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001592742926 1076203863 /nfs/dbraw/zinc/20/38/63/1076203863.db2.gz WKYJHDFBFFMPCP-ZDUSSCGKSA-N 1 0 385.432 -1.236 20 0 GAADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001592745644 1076203816 /nfs/dbraw/zinc/20/38/16/1076203816.db2.gz UZVWCVFWLOWCBV-UHFFFAOYSA-N 1 0 397.443 -1.140 20 0 GAADRO [NH3+]C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001592745868 1076203802 /nfs/dbraw/zinc/20/38/02/1076203802.db2.gz SSMHGYSRJGDNEK-GFCCVEGCSA-N 1 0 395.445 -1.279 20 0 GAADRO [NH3+]C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001592745870 1076204038 /nfs/dbraw/zinc/20/40/38/1076204038.db2.gz SSMHGYSRJGDNEK-LBPRGKRZSA-N 1 0 395.445 -1.279 20 0 GAADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC[C@H]1F ZINC001592747962 1076204255 /nfs/dbraw/zinc/20/42/55/1076204255.db2.gz GFICQRJFJLEMAU-GHMZBOCLSA-N 1 0 377.384 -1.313 20 0 GAADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 ZINC001592748391 1076204797 /nfs/dbraw/zinc/20/47/97/1076204797.db2.gz MNTVXPWTGNWRJT-CYBMUJFWSA-N 1 0 385.432 -1.140 20 0 GAADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001592748769 1076204756 /nfs/dbraw/zinc/20/47/56/1076204756.db2.gz RBDKCQUWHLEHFU-GFCCVEGCSA-N 1 0 385.432 -1.140 20 0 GAADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3-c3nn[nH]n3)CC2)C1 ZINC001592748985 1076204929 /nfs/dbraw/zinc/20/49/29/1076204929.db2.gz WMQBENPXKYTUPR-GFCCVEGCSA-N 1 0 385.432 -1.140 20 0 GAADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001592766321 1076205321 /nfs/dbraw/zinc/20/53/21/1076205321.db2.gz DLCOOCYNIFGNQK-UHFFFAOYSA-N 1 0 385.432 -1.268 20 0 GAADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001592766658 1076205236 /nfs/dbraw/zinc/20/52/36/1076205236.db2.gz IGBIIOFBWWWXPK-QWHCGFSZSA-N 1 0 383.412 -1.014 20 0 GAADRO O=C(C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001592766707 1076205312 /nfs/dbraw/zinc/20/53/12/1076205312.db2.gz IZMLZJJUFZMMCG-RYUDHWBXSA-N 1 0 383.416 -1.517 20 0 GAADRO O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001592767090 1076205286 /nfs/dbraw/zinc/20/52/86/1076205286.db2.gz NDQMFUNHQZZWEP-HZSPNIEDSA-N 1 0 398.427 -1.081 20 0 GAADRO O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001592767091 1076205643 /nfs/dbraw/zinc/20/56/43/1076205643.db2.gz NDQMFUNHQZZWEP-MJBXVCDLSA-N 1 0 398.427 -1.081 20 0 GAADRO O=C(C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001592767200 1076205564 /nfs/dbraw/zinc/20/55/64/1076205564.db2.gz PZXFGHNHNCSMON-OCCSQVGLSA-N 1 0 397.443 -1.269 20 0 GAADRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001592767235 1076205621 /nfs/dbraw/zinc/20/56/21/1076205621.db2.gz RAFLSJQVPMBNRL-AVGNSLFASA-N 1 0 384.400 -1.186 20 0 GAADRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001592767236 1076205657 /nfs/dbraw/zinc/20/56/57/1076205657.db2.gz RAFLSJQVPMBNRL-RWMBFGLXSA-N 1 0 384.400 -1.186 20 0 GAADRO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001592767459 1076205610 /nfs/dbraw/zinc/20/56/10/1076205610.db2.gz BHJFQDCDOXEABG-BETUJISGSA-N 1 0 397.443 -1.127 20 0 GAADRO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 ZINC001592768048 1076206006 /nfs/dbraw/zinc/20/60/06/1076206006.db2.gz XWAPBSVHBDLZLE-BETUJISGSA-N 1 0 397.443 -1.127 20 0 GAADRO O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001592773234 1076205946 /nfs/dbraw/zinc/20/59/46/1076205946.db2.gz PKJNNDLSRFCFIH-CYBMUJFWSA-N 1 0 397.443 -1.269 20 0 GAADRO O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001592773235 1076206182 /nfs/dbraw/zinc/20/61/82/1076206182.db2.gz PKJNNDLSRFCFIH-ZDUSSCGKSA-N 1 0 397.443 -1.269 20 0 GAADRO O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001592773246 1076206509 /nfs/dbraw/zinc/20/65/09/1076206509.db2.gz QFIBMQRAKHOYQA-GFCCVEGCSA-N 1 0 397.443 -1.269 20 0 GAADRO O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001592773247 1076206471 /nfs/dbraw/zinc/20/64/71/1076206471.db2.gz QFIBMQRAKHOYQA-LBPRGKRZSA-N 1 0 397.443 -1.269 20 0 GAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592787284 1076206906 /nfs/dbraw/zinc/20/69/06/1076206906.db2.gz NGAHSOZIKJWBOT-JTQLQIEISA-N 1 0 377.430 -1.011 20 0 GAADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592787286 1076206794 /nfs/dbraw/zinc/20/67/94/1076206794.db2.gz NGAHSOZIKJWBOT-SNVBAGLBSA-N 1 0 377.430 -1.011 20 0 GAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592810460 1076207445 /nfs/dbraw/zinc/20/74/45/1076207445.db2.gz JSISXFLJHZLGNG-CHWSQXEVSA-N 1 0 387.400 -1.514 20 0 GAADRO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592810461 1076207372 /nfs/dbraw/zinc/20/73/72/1076207372.db2.gz JSISXFLJHZLGNG-OLZOCXBDSA-N 1 0 387.400 -1.514 20 0 GAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592810462 1076207208 /nfs/dbraw/zinc/20/72/08/1076207208.db2.gz JSISXFLJHZLGNG-QWHCGFSZSA-N 1 0 387.400 -1.514 20 0 GAADRO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592810463 1076207482 /nfs/dbraw/zinc/20/74/82/1076207482.db2.gz JSISXFLJHZLGNG-STQMWFEESA-N 1 0 387.400 -1.514 20 0 GAADRO O=C(CCN1C(=O)CCC1=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592841232 1076208758 /nfs/dbraw/zinc/20/87/58/1076208758.db2.gz GMDAZXCXCZWEIV-JTQLQIEISA-N 1 0 388.388 -1.888 20 0 GAADRO O=C(CCN1C(=O)CCC1=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592841233 1076208909 /nfs/dbraw/zinc/20/89/09/1076208909.db2.gz GMDAZXCXCZWEIV-SNVBAGLBSA-N 1 0 388.388 -1.888 20 0 GAADRO O=C(CCN1C(=O)CCC1=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592841248 1076208932 /nfs/dbraw/zinc/20/89/32/1076208932.db2.gz HJRUOWTZUVWZEE-JTQLQIEISA-N 1 0 388.388 -1.888 20 0 GAADRO O=C(CCN1C(=O)CCC1=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592841249 1076208855 /nfs/dbraw/zinc/20/88/55/1076208855.db2.gz HJRUOWTZUVWZEE-SNVBAGLBSA-N 1 0 388.388 -1.888 20 0 GAADRO O=C(CC[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1)N1CCOCC1 ZINC001592842872 1076209274 /nfs/dbraw/zinc/20/92/74/1076209274.db2.gz YWPOMLBPSQVFMJ-UHFFFAOYSA-N 1 0 395.445 -1.126 20 0 GAADRO O=C(CN1C(=O)CCC1=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592862354 1076210404 /nfs/dbraw/zinc/21/04/04/1076210404.db2.gz OIGTUSNSZVZGAV-UHFFFAOYSA-N 1 0 388.388 -1.935 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001592862387 1076210852 /nfs/dbraw/zinc/21/08/52/1076210852.db2.gz AFTZHGQAADLAFD-UHFFFAOYSA-N 1 0 384.400 -1.034 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592862551 1076211501 /nfs/dbraw/zinc/21/15/01/1076211501.db2.gz GWLDKQUWDMNMKB-WDEREUQCSA-N 1 0 399.415 -1.068 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592863010 1076211631 /nfs/dbraw/zinc/21/16/31/1076211631.db2.gz HGBSKGBPUYXTMM-GFCCVEGCSA-N 1 0 388.388 -2.015 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592863014 1076211678 /nfs/dbraw/zinc/21/16/78/1076211678.db2.gz HGBSKGBPUYXTMM-LBPRGKRZSA-N 1 0 388.388 -2.015 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001592863053 1076211966 /nfs/dbraw/zinc/21/19/66/1076211966.db2.gz HQCSETLMDVHEPW-GFCCVEGCSA-N 1 0 385.388 -1.458 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001592863057 1076211899 /nfs/dbraw/zinc/21/18/99/1076211899.db2.gz HQCSETLMDVHEPW-LBPRGKRZSA-N 1 0 385.388 -1.458 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592863092 1076211956 /nfs/dbraw/zinc/21/19/56/1076211956.db2.gz JCXKBKWZGPLBHB-UHFFFAOYSA-N 1 0 384.400 -1.034 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001592863101 1076212065 /nfs/dbraw/zinc/21/20/65/1076212065.db2.gz JNHXDXXIFFDPCG-UHFFFAOYSA-N 1 0 384.400 -1.034 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592863197 1076212321 /nfs/dbraw/zinc/21/23/21/1076212321.db2.gz LWHPXEMQGPZKMM-GFCCVEGCSA-N 1 0 388.388 -2.015 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592863430 1076212540 /nfs/dbraw/zinc/21/25/40/1076212540.db2.gz LWHPXEMQGPZKMM-LBPRGKRZSA-N 1 0 388.388 -2.015 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592863457 1076212521 /nfs/dbraw/zinc/21/25/21/1076212521.db2.gz NWWJUKPJBPRIDG-AOOOYVTPSA-N 1 0 385.388 -1.458 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592863458 1076212362 /nfs/dbraw/zinc/21/23/62/1076212362.db2.gz NWWJUKPJBPRIDG-UHFFFAOYSA-N 1 0 385.388 -1.458 20 0 GAADRO O=C(CN1C(=O)CNC1=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001592863526 1076212376 /nfs/dbraw/zinc/21/23/76/1076212376.db2.gz RPYFGEGXRQEBKY-UHFFFAOYSA-N 1 0 385.388 -1.362 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592863537 1076212756 /nfs/dbraw/zinc/21/27/56/1076212756.db2.gz RVPOYGCHZPRYMK-UHFFFAOYSA-N 1 0 385.388 -1.458 20 0 GAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592863540 1076212745 /nfs/dbraw/zinc/21/27/45/1076212745.db2.gz RWSXWLYIFIXIMT-JTQLQIEISA-N 1 0 385.388 -1.362 20 0 GAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592863541 1076212916 /nfs/dbraw/zinc/21/29/16/1076212916.db2.gz RWSXWLYIFIXIMT-SNVBAGLBSA-N 1 0 385.388 -1.362 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592863567 1076212869 /nfs/dbraw/zinc/21/28/69/1076212869.db2.gz TUGSTVQOAHSXQH-GFCCVEGCSA-N 1 0 388.388 -2.015 20 0 GAADRO O=C(CN1C(=O)CNC1=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592863568 1076212885 /nfs/dbraw/zinc/21/28/85/1076212885.db2.gz TUGSTVQOAHSXQH-LBPRGKRZSA-N 1 0 388.388 -2.015 20 0 GAADRO O=C(CN1CCOCC1=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592868684 1076214295 /nfs/dbraw/zinc/21/42/95/1076214295.db2.gz ROWKSKSEYHQUIG-HAQNSBGRSA-N 1 0 386.416 -1.151 20 0 GAADRO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001592869152 1076214263 /nfs/dbraw/zinc/21/42/63/1076214263.db2.gz PVFFJMPLUGZFCF-UHFFFAOYSA-N 1 0 376.396 -1.357 20 0 GAADRO O=C(CN1CCS(=O)(=O)CC1)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592869812 1076214610 /nfs/dbraw/zinc/21/46/10/1076214610.db2.gz IBRNYUMOAAWSPZ-UHFFFAOYSA-N 1 0 380.434 -2.058 20 0 GAADRO O=C(C[NH2+]CCN(CCO)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCOCC1 ZINC001592872514 1076215135 /nfs/dbraw/zinc/21/51/35/1076215135.db2.gz FCXOHQXIQQBIIV-UHFFFAOYSA-N 1 0 392.420 -1.922 20 0 GAADRO O=C(C[NH2+]CCN(CCO)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCOCC1 ZINC001592872714 1076215072 /nfs/dbraw/zinc/21/50/72/1076215072.db2.gz GVNRGLHVSDLIBM-UHFFFAOYSA-N 1 0 392.420 -1.922 20 0 GAADRO O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC001592872789 1076215125 /nfs/dbraw/zinc/21/51/25/1076215125.db2.gz ITGWHTOYFSWREO-UHFFFAOYSA-N 1 0 393.429 -1.654 20 0 GAADRO O=C(C[NH2+]CCN(CCO)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCCC1 ZINC001592873156 1076215155 /nfs/dbraw/zinc/21/51/55/1076215155.db2.gz KYNVYBZUMDNHLE-UHFFFAOYSA-N 1 0 376.421 -1.159 20 0 GAADRO O=C(C[NH2+]CCN(CCO)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCCC1 ZINC001592873183 1076215170 /nfs/dbraw/zinc/21/51/70/1076215170.db2.gz LMTDEGMCLPKQED-UHFFFAOYSA-N 1 0 376.421 -1.159 20 0 GAADRO O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001592875450 1076215425 /nfs/dbraw/zinc/21/54/25/1076215425.db2.gz MCQCJKXKZGTIQB-GFCCVEGCSA-N 1 0 395.445 -1.672 20 0 GAADRO O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)NCC[N@H+]1CC[C@H](O)C1 ZINC001592875451 1076215617 /nfs/dbraw/zinc/21/56/17/1076215617.db2.gz MCQCJKXKZGTIQB-LBPRGKRZSA-N 1 0 395.445 -1.672 20 0 GAADRO O=C(Cc1ccc(-c2nn[nH]n2)nc1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001592915441 1076217400 /nfs/dbraw/zinc/21/74/00/1076217400.db2.gz ONHNUYDXTPDWOF-UHFFFAOYSA-N 1 0 385.432 -1.026 20 0 GAADRO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001592937420 1076218893 /nfs/dbraw/zinc/21/88/93/1076218893.db2.gz ZVEGVBYHBNIOGZ-SNVBAGLBSA-N 1 0 383.372 -1.341 20 0 GAADRO O=C(Cn1cnnn1)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001592942079 1076219756 /nfs/dbraw/zinc/21/97/56/1076219756.db2.gz IXGRPJQAZMURJA-UHFFFAOYSA-N 1 0 390.383 -1.397 20 0 GAADRO O=C(Cn1cnnn1)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001592942149 1076219695 /nfs/dbraw/zinc/21/96/95/1076219695.db2.gz RYRFJAQXNBEFEQ-UHFFFAOYSA-N 1 0 390.383 -1.397 20 0 GAADRO O=C(Cn1cnnn1)N(CCO)CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001592942186 1076219867 /nfs/dbraw/zinc/21/98/67/1076219867.db2.gz VUJMTBXZASZCGW-UHFFFAOYSA-N 1 0 390.383 -1.397 20 0 GAADRO O=C(Cn1nc2ccccn2c1=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592942274 1076220157 /nfs/dbraw/zinc/22/01/57/1076220157.db2.gz DNHDJLWOOWXFFZ-UHFFFAOYSA-N 1 0 380.372 -1.279 20 0 GAADRO O=C(Cn1nc2n(c1=O)CCCC2)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592942645 1076220008 /nfs/dbraw/zinc/22/00/08/1076220008.db2.gz RYKHKJYTKDFYBT-UHFFFAOYSA-N 1 0 384.404 -1.394 20 0 GAADRO O=C(Cn1ncn2nccc2c1=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592942740 1076220023 /nfs/dbraw/zinc/22/00/23/1076220023.db2.gz WEDLJLHLDRWVPA-UHFFFAOYSA-N 1 0 381.360 -1.884 20 0 GAADRO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001592943557 1076220459 /nfs/dbraw/zinc/22/04/59/1076220459.db2.gz UTYKGTUUDRYULC-CYBMUJFWSA-N 1 0 384.404 -1.130 20 0 GAADRO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001592943562 1076220475 /nfs/dbraw/zinc/22/04/75/1076220475.db2.gz UTYKGTUUDRYULC-ZDUSSCGKSA-N 1 0 384.404 -1.130 20 0 GAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001592943591 1076220605 /nfs/dbraw/zinc/22/06/05/1076220605.db2.gz XMTRIXYRJWYKBZ-KBPBESRZSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001592943592 1076220574 /nfs/dbraw/zinc/22/05/74/1076220574.db2.gz XMTRIXYRJWYKBZ-KGLIPLIRSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001592943593 1076220611 /nfs/dbraw/zinc/22/06/11/1076220611.db2.gz XMTRIXYRJWYKBZ-UONOGXRCSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001592943594 1076220502 /nfs/dbraw/zinc/22/05/02/1076220502.db2.gz XMTRIXYRJWYKBZ-ZIAGYGMSSA-N 1 0 384.404 -1.395 20 0 GAADRO O=C(N[C@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001592953083 1076221137 /nfs/dbraw/zinc/22/11/37/1076221137.db2.gz VZNHUFTYCDJKBV-GFCCVEGCSA-N 1 0 387.404 -1.155 20 0 GAADRO O=C(N[C@@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001592953084 1076221125 /nfs/dbraw/zinc/22/11/25/1076221125.db2.gz VZNHUFTYCDJKBV-LBPRGKRZSA-N 1 0 387.404 -1.155 20 0 GAADRO O=C(N[C@@]1(CO)CCC[N@@H+](CCOCCO)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592958893 1076220859 /nfs/dbraw/zinc/22/08/59/1076220859.db2.gz KPHIHEWZJGKSMI-INIZCTEOSA-N 1 0 379.421 -1.240 20 0 GAADRO O=C(N[C@]1(CO)CCC[N@@H+](CCOCCO)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592958895 1076221158 /nfs/dbraw/zinc/22/11/58/1076221158.db2.gz KPHIHEWZJGKSMI-MRXNPFEDSA-N 1 0 379.421 -1.240 20 0 GAADRO O=C(N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(=O)N1CC[NH2+]CC1 ZINC001592980581 1076221152 /nfs/dbraw/zinc/22/11/52/1076221152.db2.gz HPJYKNBRTKHBDQ-AWEZNQCLSA-N 1 0 398.427 -1.090 20 0 GAADRO O=C(N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(=O)N1CC[NH2+]CC1 ZINC001592980585 1076221109 /nfs/dbraw/zinc/22/11/09/1076221109.db2.gz HPJYKNBRTKHBDQ-CQSZACIVSA-N 1 0 398.427 -1.090 20 0 GAADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001592982108 1076220823 /nfs/dbraw/zinc/22/08/23/1076220823.db2.gz BDMULFLYGMGVEL-GFCCVEGCSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001592982109 1076221024 /nfs/dbraw/zinc/22/10/24/1076221024.db2.gz BDMULFLYGMGVEL-LBPRGKRZSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001592983168 1076220918 /nfs/dbraw/zinc/22/09/18/1076220918.db2.gz RGSFVDFJMQYVAD-CYBMUJFWSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001592983169 1076221511 /nfs/dbraw/zinc/22/15/11/1076221511.db2.gz RGSFVDFJMQYVAD-ZDUSSCGKSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001592985909 1076221404 /nfs/dbraw/zinc/22/14/04/1076221404.db2.gz ALHLQDOLALCULV-LLVKDONJSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001592985910 1076221499 /nfs/dbraw/zinc/22/14/99/1076221499.db2.gz ALHLQDOLALCULV-NSHDSACASA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592985972 1076221462 /nfs/dbraw/zinc/22/14/62/1076221462.db2.gz GPPKRKOVMYEIOO-LLVKDONJSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592985973 1076221549 /nfs/dbraw/zinc/22/15/49/1076221549.db2.gz GPPKRKOVMYEIOO-NSHDSACASA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592986199 1076221453 /nfs/dbraw/zinc/22/14/53/1076221453.db2.gz OJHFOCBSYBZQQC-GXTWGEPZSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592986201 1076221393 /nfs/dbraw/zinc/22/13/93/1076221393.db2.gz OJHFOCBSYBZQQC-JSGCOSHPSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592986203 1076221370 /nfs/dbraw/zinc/22/13/70/1076221370.db2.gz OJHFOCBSYBZQQC-OCCSQVGLSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592986205 1076221344 /nfs/dbraw/zinc/22/13/44/1076221344.db2.gz OJHFOCBSYBZQQC-TZMCWYRMSA-N 1 0 388.432 -1.018 20 0 GAADRO O=C(N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001592989984 1076221418 /nfs/dbraw/zinc/22/14/18/1076221418.db2.gz SNOGFYHLNSUBKV-AAEUAGOBSA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001592989986 1076221473 /nfs/dbraw/zinc/22/14/73/1076221473.db2.gz SNOGFYHLNSUBKV-DGCLKSJQSA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001592989988 1076221440 /nfs/dbraw/zinc/22/14/40/1076221440.db2.gz SNOGFYHLNSUBKV-WCQYABFASA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001592989989 1076221522 /nfs/dbraw/zinc/22/15/22/1076221522.db2.gz SNOGFYHLNSUBKV-YPMHNXCESA-N 1 0 385.432 -1.192 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593006755 1076222435 /nfs/dbraw/zinc/22/24/35/1076222435.db2.gz RIXVPJBYUZHJIR-GFCCVEGCSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]CCCN1CCCC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593006756 1076222382 /nfs/dbraw/zinc/22/23/82/1076222382.db2.gz RIXVPJBYUZHJIR-LBPRGKRZSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn2ccncc12 ZINC001593007977 1076222709 /nfs/dbraw/zinc/22/27/09/1076222709.db2.gz KVPLKEDEPMVUQY-JTQLQIEISA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cnn2ccncc12 ZINC001593007978 1076222889 /nfs/dbraw/zinc/22/28/89/1076222889.db2.gz KVPLKEDEPMVUQY-SNVBAGLBSA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cccc2ncnn21 ZINC001593008109 1076222679 /nfs/dbraw/zinc/22/26/79/1076222679.db2.gz ZKXDXSZETZXZLF-JTQLQIEISA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cccc2ncnn21 ZINC001593008110 1076222740 /nfs/dbraw/zinc/22/27/40/1076222740.db2.gz ZKXDXSZETZXZLF-SNVBAGLBSA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)c1c[nH]c(-c2nn[nH]n2)c1 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OTWDMIZOOZJHNY-GFCCVEGCSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001593034262 1076225228 /nfs/dbraw/zinc/22/52/28/1076225228.db2.gz OTWDMIZOOZJHNY-LBPRGKRZSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(NC[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593035305 1076225130 /nfs/dbraw/zinc/22/51/30/1076225130.db2.gz HVYFGZSXFRJOFP-LLVKDONJSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(NC[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593035306 1076225695 /nfs/dbraw/zinc/22/56/95/1076225695.db2.gz HVYFGZSXFRJOFP-NSHDSACASA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593039603 1076225540 /nfs/dbraw/zinc/22/55/40/1076225540.db2.gz GXCHSLYBITXJER-JTQLQIEISA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593039604 1076225584 /nfs/dbraw/zinc/22/55/84/1076225584.db2.gz GXCHSLYBITXJER-SNVBAGLBSA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(NCC1C[NH+](CCCN2C(=O)CNC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593043702 1076225636 /nfs/dbraw/zinc/22/56/36/1076225636.db2.gz BDBJXPUTQGWQBB-UHFFFAOYSA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCN(c2ccsc2-c2nn[nH]n2)CC1 ZINC001593048035 1076226674 /nfs/dbraw/zinc/22/66/74/1076226674.db2.gz DOYYQOMRVQYPEW-UHFFFAOYSA-N 1 0 376.446 -1.088 20 0 GAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593048066 1076226524 /nfs/dbraw/zinc/22/65/24/1076226524.db2.gz FNQYWILGZIMYDN-GFCCVEGCSA-N 1 0 387.400 -1.439 20 0 GAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593048231 1076226412 /nfs/dbraw/zinc/22/64/12/1076226412.db2.gz FNQYWILGZIMYDN-LBPRGKRZSA-N 1 0 387.400 -1.439 20 0 GAADRO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593070438 1076226987 /nfs/dbraw/zinc/22/69/87/1076226987.db2.gz AANUEHQLAJYSCQ-LLVKDONJSA-N 1 0 390.404 -1.586 20 0 GAADRO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593070439 1076227069 /nfs/dbraw/zinc/22/70/69/1076227069.db2.gz AANUEHQLAJYSCQ-NSHDSACASA-N 1 0 390.404 -1.586 20 0 GAADRO O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593071253 1076227030 /nfs/dbraw/zinc/22/70/30/1076227030.db2.gz OJBRAUSFRUQMCW-UHFFFAOYSA-N 1 0 375.393 -1.154 20 0 GAADRO O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593071983 1076227419 /nfs/dbraw/zinc/22/74/19/1076227419.db2.gz TUMSGAKQZSQIQJ-LBPRGKRZSA-N 1 0 376.421 -1.112 20 0 GAADRO O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593072009 1076227615 /nfs/dbraw/zinc/22/76/15/1076227615.db2.gz UXFITGRKXISERP-UHFFFAOYSA-N 1 0 382.450 -1.060 20 0 GAADRO O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593072327 1076227328 /nfs/dbraw/zinc/22/73/28/1076227328.db2.gz ZNRYMBUNIRWUOR-UHFFFAOYSA-N 1 0 382.450 -1.060 20 0 GAADRO O=C(NCC[N@H+](CCN1C(=O)CNC1=O)C1CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593080398 1076227440 /nfs/dbraw/zinc/22/74/40/1076227440.db2.gz AMSBCZRUCZHHLV-UHFFFAOYSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593084929 1076227565 /nfs/dbraw/zinc/22/75/65/1076227565.db2.gz KYEJKIUNNBOCCH-JTQLQIEISA-N 1 0 376.377 -1.976 20 0 GAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593084932 1076227382 /nfs/dbraw/zinc/22/73/82/1076227382.db2.gz KYEJKIUNNBOCCH-SNVBAGLBSA-N 1 0 376.377 -1.976 20 0 GAADRO O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001593084978 1076227355 /nfs/dbraw/zinc/22/73/55/1076227355.db2.gz LOWGMVXNVKSUTE-LLVKDONJSA-N 1 0 376.421 -1.255 20 0 GAADRO O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001593084979 1076227555 /nfs/dbraw/zinc/22/75/55/1076227555.db2.gz LOWGMVXNVKSUTE-NSHDSACASA-N 1 0 376.421 -1.255 20 0 GAADRO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593085476 1076227580 /nfs/dbraw/zinc/22/75/80/1076227580.db2.gz RKNVKKNOPGXUBX-SECBINFHSA-N 1 0 376.377 -1.976 20 0 GAADRO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593085477 1076227830 /nfs/dbraw/zinc/22/78/30/1076227830.db2.gz RKNVKKNOPGXUBX-VIFPVBQESA-N 1 0 376.377 -1.976 20 0 GAADRO O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001593085607 1076227942 /nfs/dbraw/zinc/22/79/42/1076227942.db2.gz WKESYCUYBLWYTM-LLVKDONJSA-N 1 0 376.421 -1.255 20 0 GAADRO O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001593085608 1076227853 /nfs/dbraw/zinc/22/78/53/1076227853.db2.gz WKESYCUYBLWYTM-NSHDSACASA-N 1 0 376.421 -1.255 20 0 GAADRO O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001593085694 1076227881 /nfs/dbraw/zinc/22/78/81/1076227881.db2.gz ZVHSYGUCEKPXJP-LLVKDONJSA-N 1 0 376.421 -1.255 20 0 GAADRO O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001593085695 1076227810 /nfs/dbraw/zinc/22/78/10/1076227810.db2.gz ZVHSYGUCEKPXJP-NSHDSACASA-N 1 0 376.421 -1.255 20 0 GAADRO O=C(NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)N1 ZINC001593086041 1076228007 /nfs/dbraw/zinc/22/80/07/1076228007.db2.gz GZDNFZCFIKYHIE-GFCCVEGCSA-N 1 0 383.409 -1.097 20 0 GAADRO O=C(NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)N1 ZINC001593086042 1076227894 /nfs/dbraw/zinc/22/78/94/1076227894.db2.gz GZDNFZCFIKYHIE-LBPRGKRZSA-N 1 0 383.409 -1.097 20 0 GAADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001593086540 1076227996 /nfs/dbraw/zinc/22/79/96/1076227996.db2.gz YIYSMCYCFIPTHV-UHFFFAOYSA-N 1 0 376.396 -1.357 20 0 GAADRO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001593087093 1076227956 /nfs/dbraw/zinc/22/79/56/1076227956.db2.gz OESPJXPETPULFJ-LLVKDONJSA-N 1 0 375.393 -2.106 20 0 GAADRO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001593087094 1076227931 /nfs/dbraw/zinc/22/79/31/1076227931.db2.gz OESPJXPETPULFJ-NSHDSACASA-N 1 0 375.393 -2.106 20 0 GAADRO O=C(NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCS(=O)(=O)N1 ZINC001593087813 1076227841 /nfs/dbraw/zinc/22/78/41/1076227841.db2.gz UYPFLDQPYAZHHN-GFCCVEGCSA-N 1 0 383.409 -1.097 20 0 GAADRO O=C(NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCS(=O)(=O)N1 ZINC001593087816 1076228257 /nfs/dbraw/zinc/22/82/57/1076228257.db2.gz UYPFLDQPYAZHHN-LBPRGKRZSA-N 1 0 383.409 -1.097 20 0 GAADRO O=C(NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)N1 ZINC001593088209 1076228229 /nfs/dbraw/zinc/22/82/29/1076228229.db2.gz YSFBYFUCSFNKGD-GFCCVEGCSA-N 1 0 383.409 -1.097 20 0 GAADRO O=C(NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)N1 ZINC001593088212 1076228262 /nfs/dbraw/zinc/22/82/62/1076228262.db2.gz YSFBYFUCSFNKGD-LBPRGKRZSA-N 1 0 383.409 -1.097 20 0 GAADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001593095128 1076228874 /nfs/dbraw/zinc/22/88/74/1076228874.db2.gz XMTMUZGAUMHLOB-JTQLQIEISA-N 1 0 375.393 -2.106 20 0 GAADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001593095129 1076228675 /nfs/dbraw/zinc/22/86/75/1076228675.db2.gz XMTMUZGAUMHLOB-SNVBAGLBSA-N 1 0 375.393 -2.106 20 0 GAADRO O=C(NCCc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001593104317 1076229081 /nfs/dbraw/zinc/22/90/81/1076229081.db2.gz SCNZFHDROVAXBO-LSDHHAIUSA-N 1 0 385.428 -1.197 20 0 GAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593114552 1076230194 /nfs/dbraw/zinc/23/01/94/1076230194.db2.gz GOGQCDMBIWOAGQ-JGZJWPJOSA-N 1 0 387.404 -1.155 20 0 GAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593114657 1076230294 /nfs/dbraw/zinc/23/02/94/1076230294.db2.gz UCMKFEFSEUSKCX-AOOOYVTPSA-N 1 0 387.404 -1.155 20 0 GAADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593114676 1076229980 /nfs/dbraw/zinc/22/99/80/1076229980.db2.gz WNLCVHFJJQYIBX-JGZJWPJOSA-N 1 0 387.404 -1.155 20 0 GAADRO O=C(NCc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001593130145 1076230159 /nfs/dbraw/zinc/23/01/59/1076230159.db2.gz XQSYCZODHKESPT-NWDGAFQWSA-N 1 0 389.391 -1.101 20 0 GAADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001593175388 1076230801 /nfs/dbraw/zinc/23/08/01/1076230801.db2.gz JLTTWJGMKJVQHD-GFCCVEGCSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593176666 1076230780 /nfs/dbraw/zinc/23/07/80/1076230780.db2.gz NOUOWXPTXRYQLS-SNVBAGLBSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001593176715 1076230772 /nfs/dbraw/zinc/23/07/72/1076230772.db2.gz AJOCEVIEVNCGNQ-OAHLLOKOSA-N 1 0 384.444 -1.011 20 0 GAADRO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593177567 1076231290 /nfs/dbraw/zinc/23/12/90/1076231290.db2.gz QSRABOSLYKEVRW-GDLCADMTSA-N 1 0 387.404 -1.773 20 0 GAADRO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593177568 1076231232 /nfs/dbraw/zinc/23/12/32/1076231232.db2.gz QSRABOSLYKEVRW-HONMWMINSA-N 1 0 387.404 -1.773 20 0 GAADRO O=C(N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001593180421 1076236218 /nfs/dbraw/zinc/23/62/18/1076236218.db2.gz QJNCWYUTHQQVSP-JHJVBQTASA-N 1 0 385.432 -1.336 20 0 GAADRO O=C(N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001593180422 1076236053 /nfs/dbraw/zinc/23/60/53/1076236053.db2.gz QJNCWYUTHQQVSP-YNEHKIRRSA-N 1 0 385.432 -1.336 20 0 GAADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001593183201 1076236535 /nfs/dbraw/zinc/23/65/35/1076236535.db2.gz ZJCUODNIBRFRPI-ZDUSSCGKSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(N[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593189526 1076236685 /nfs/dbraw/zinc/23/66/85/1076236685.db2.gz JRAMTXGFDQKLLO-XYPYZODXSA-N 1 0 387.404 -1.013 20 0 GAADRO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593193195 1076236632 /nfs/dbraw/zinc/23/66/32/1076236632.db2.gz ASUSMMRKPBVAGO-IWIIMEHWSA-N 1 0 385.388 -1.593 20 0 GAADRO O=C(N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C1CS(=O)(=O)C1 ZINC001593193895 1076237154 /nfs/dbraw/zinc/23/71/54/1076237154.db2.gz FBBFQQQYUNYNGJ-PJXYFTJBSA-N 1 0 375.414 -1.143 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001593316140 1076237712 /nfs/dbraw/zinc/23/77/12/1076237712.db2.gz FXILRAWXPJWHGR-UHFFFAOYSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593317137 1076238093 /nfs/dbraw/zinc/23/80/93/1076238093.db2.gz ZAMBRLAQDBDCAV-LLVKDONJSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593317164 1076238141 /nfs/dbraw/zinc/23/81/41/1076238141.db2.gz RVHCGADPOSPKAA-JTQLQIEISA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593317165 1076237972 /nfs/dbraw/zinc/23/79/72/1076237972.db2.gz RVHCGADPOSPKAA-SNVBAGLBSA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593317197 1076238124 /nfs/dbraw/zinc/23/81/24/1076238124.db2.gz UHIRTYNTLIUBGZ-LLVKDONJSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593317198 1076238057 /nfs/dbraw/zinc/23/80/57/1076238057.db2.gz UHIRTYNTLIUBGZ-NSHDSACASA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593321515 1076238206 /nfs/dbraw/zinc/23/82/06/1076238206.db2.gz AOUSBXZHPXZQKF-LLVKDONJSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593321517 1076238034 /nfs/dbraw/zinc/23/80/34/1076238034.db2.gz AOUSBXZHPXZQKF-NSHDSACASA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001593321559 1076238156 /nfs/dbraw/zinc/23/81/56/1076238156.db2.gz DYALUIPZFUSCBR-UHFFFAOYSA-N 1 0 379.421 -1.240 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593321811 1076238217 /nfs/dbraw/zinc/23/82/17/1076238217.db2.gz JTWUFHDDKSJJPK-LLVKDONJSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593321812 1076238477 /nfs/dbraw/zinc/23/84/77/1076238477.db2.gz JTWUFHDDKSJJPK-NSHDSACASA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001593322552 1076238607 /nfs/dbraw/zinc/23/86/07/1076238607.db2.gz FAQTZXCKOSDTQB-INIZCTEOSA-N 1 0 379.421 -1.240 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@](CO)([NH2+]CCOCCO)C1 ZINC001593322553 1076238647 /nfs/dbraw/zinc/23/86/47/1076238647.db2.gz FAQTZXCKOSDTQB-MRXNPFEDSA-N 1 0 379.421 -1.240 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593332178 1076238597 /nfs/dbraw/zinc/23/85/97/1076238597.db2.gz ITDFEJNCFCYKKI-JTQLQIEISA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001593332180 1076238627 /nfs/dbraw/zinc/23/86/27/1076238627.db2.gz ITDFEJNCFCYKKI-SNVBAGLBSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001593332218 1076238537 /nfs/dbraw/zinc/23/85/37/1076238537.db2.gz JYLFFQCWVWVOSH-UHFFFAOYSA-N 1 0 379.421 -1.240 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593333087 1076238445 /nfs/dbraw/zinc/23/84/45/1076238445.db2.gz SWVQMRJQTUKEEO-JTQLQIEISA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001593333088 1076238689 /nfs/dbraw/zinc/23/86/89/1076238689.db2.gz SWVQMRJQTUKEEO-SNVBAGLBSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(C1CC(=O)NC(=O)C1)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001593377898 1076240000 /nfs/dbraw/zinc/24/00/00/1076240000.db2.gz LUWWXFYBJDPGBU-UHFFFAOYSA-N 1 0 388.388 -2.031 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC(=O)NC(=O)C1 ZINC001593381592 1076240792 /nfs/dbraw/zinc/24/07/92/1076240792.db2.gz KVTDQROZYBXJOC-GFCCVEGCSA-N 1 0 387.400 -1.514 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC(=O)NC(=O)C1 ZINC001593381593 1076240758 /nfs/dbraw/zinc/24/07/58/1076240758.db2.gz KVTDQROZYBXJOC-LBPRGKRZSA-N 1 0 387.400 -1.514 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001593381594 1076240844 /nfs/dbraw/zinc/24/08/44/1076240844.db2.gz KWIHNZQSVJJZKN-KGLIPLIRSA-N 1 0 399.411 -1.419 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001593381931 1076241207 /nfs/dbraw/zinc/24/12/07/1076241207.db2.gz PNOOSKYGPHWCET-KGLIPLIRSA-N 1 0 399.411 -1.419 20 0 GAADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001593381932 1076241222 /nfs/dbraw/zinc/24/12/22/1076241222.db2.gz PNOOSKYGPHWCET-ZIAGYGMSSA-N 1 0 399.411 -1.419 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC(=O)NC(=O)C1 ZINC001593382191 1076241189 /nfs/dbraw/zinc/24/11/89/1076241189.db2.gz VWIUGIZMUMUGFG-CYBMUJFWSA-N 1 0 387.400 -1.514 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC(=O)NC(=O)C1 ZINC001593382193 1076241236 /nfs/dbraw/zinc/24/12/36/1076241236.db2.gz VWIUGIZMUMUGFG-ZDUSSCGKSA-N 1 0 387.400 -1.514 20 0 GAADRO O=C(C[C@@H]1CC(=O)NC1=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001593383282 1076241773 /nfs/dbraw/zinc/24/17/73/1076241773.db2.gz RLYIBVNRCVLRJO-JTQLQIEISA-N 1 0 388.388 -2.031 20 0 GAADRO O=C(C[C@H]1CC(=O)NC1=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001593383283 1076241768 /nfs/dbraw/zinc/24/17/68/1076241768.db2.gz RLYIBVNRCVLRJO-SNVBAGLBSA-N 1 0 388.388 -2.031 20 0 GAADRO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593389580 1076243435 /nfs/dbraw/zinc/24/34/35/1076243435.db2.gz AGZJOXHUBDEKFL-ORXSELOVSA-N 1 0 384.400 -1.092 20 0 GAADRO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593389582 1076243292 /nfs/dbraw/zinc/24/32/92/1076243292.db2.gz AGZJOXHUBDEKFL-XHSYRHOGSA-N 1 0 384.400 -1.092 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001593389964 1076243866 /nfs/dbraw/zinc/24/38/66/1076243866.db2.gz FPSLBSBAYJPMII-GHMZBOCLSA-N 1 0 388.388 -1.569 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001593389965 1076243783 /nfs/dbraw/zinc/24/37/83/1076243783.db2.gz FPSLBSBAYJPMII-MNOVXSKESA-N 1 0 388.388 -1.569 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001593389966 1076243877 /nfs/dbraw/zinc/24/38/77/1076243877.db2.gz FPSLBSBAYJPMII-QWRGUYRKSA-N 1 0 388.388 -1.569 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001593389967 1076243729 /nfs/dbraw/zinc/24/37/29/1076243729.db2.gz FPSLBSBAYJPMII-WDEREUQCSA-N 1 0 388.388 -1.569 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001593391151 1076243795 /nfs/dbraw/zinc/24/37/95/1076243795.db2.gz RHECZDLZLCAOJB-JTQLQIEISA-N 1 0 376.377 -1.976 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001593391153 1076243888 /nfs/dbraw/zinc/24/38/88/1076243888.db2.gz RHECZDLZLCAOJB-SNVBAGLBSA-N 1 0 376.377 -1.976 20 0 GAADRO O=C(NCCOCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593391169 1076244241 /nfs/dbraw/zinc/24/42/41/1076244241.db2.gz RZOWKXZFBLEZGX-LLVKDONJSA-N 1 0 390.404 -1.274 20 0 GAADRO O=C(NCCOCCC[NH2+][C@H]1CCC(=O)NC1=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001593391170 1076244175 /nfs/dbraw/zinc/24/41/75/1076244175.db2.gz RZOWKXZFBLEZGX-NSHDSACASA-N 1 0 390.404 -1.274 20 0 GAADRO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593391653 1076244110 /nfs/dbraw/zinc/24/41/10/1076244110.db2.gz SZBOVRGGZLEWJS-BDJLRTHQSA-N 1 0 388.388 -1.833 20 0 GAADRO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593391654 1076244255 /nfs/dbraw/zinc/24/42/55/1076244255.db2.gz SZBOVRGGZLEWJS-BZNIZROVSA-N 1 0 388.388 -1.833 20 0 GAADRO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593391655 1076244273 /nfs/dbraw/zinc/24/42/73/1076244273.db2.gz SZBOVRGGZLEWJS-MEDUHNTESA-N 1 0 388.388 -1.833 20 0 GAADRO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001593391656 1076244148 /nfs/dbraw/zinc/24/41/48/1076244148.db2.gz SZBOVRGGZLEWJS-ZBEGNZNMSA-N 1 0 388.388 -1.833 20 0 GAADRO O=C(NCCOCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593391704 1076244124 /nfs/dbraw/zinc/24/41/24/1076244124.db2.gz VOSCPIJAWPZWPR-LLVKDONJSA-N 1 0 390.404 -1.274 20 0 GAADRO O=C(NCCOCCC[NH2+][C@H]1CCC(=O)NC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001593391705 1076244139 /nfs/dbraw/zinc/24/41/39/1076244139.db2.gz VOSCPIJAWPZWPR-NSHDSACASA-N 1 0 390.404 -1.274 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N(CCO)CC[NH2+]CCN1CCCC1=O ZINC001593392482 1076244154 /nfs/dbraw/zinc/24/41/54/1076244154.db2.gz ZITYBNAEQGUGSK-UHFFFAOYSA-N 1 0 376.421 -1.159 20 0 GAADRO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001593397631 1076245964 /nfs/dbraw/zinc/24/59/64/1076245964.db2.gz TTWLQPZEUJJGOR-OAHLLOKOSA-N 1 0 384.444 -1.011 20 0 GAADRO O=C(C[NH2+]CCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCNC(=O)C1 ZINC001593397857 1076246131 /nfs/dbraw/zinc/24/61/31/1076246131.db2.gz CATAQWRBXXGGFG-UHFFFAOYSA-N 1 0 375.393 -2.137 20 0 GAADRO O=C(C[NH2+]CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N1CCNC(=O)C1 ZINC001593397904 1076246100 /nfs/dbraw/zinc/24/61/00/1076246100.db2.gz FNOFZQMOVGVXSS-UHFFFAOYSA-N 1 0 375.393 -2.137 20 0 GAADRO O=C(C[NH2+]CC=CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCNC(=O)C1 ZINC001593398217 1076246394 /nfs/dbraw/zinc/24/63/94/1076246394.db2.gz LLSKUOUMJCHJOY-OWOJBTEDSA-N 1 0 387.404 -1.971 20 0 GAADRO O=C(C[NH2+]CC=CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCNC(=O)C1 ZINC001593398219 1076246475 /nfs/dbraw/zinc/24/64/75/1076246475.db2.gz LLSKUOUMJCHJOY-UPHRSURJSA-N 1 0 387.404 -1.971 20 0 GAADRO O=C(C[NH2+]C/C=C/CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCNC(=O)C1 ZINC001593398615 1076246335 /nfs/dbraw/zinc/24/63/35/1076246335.db2.gz ZVCUWARIVWKZJN-OWOJBTEDSA-N 1 0 387.404 -1.971 20 0 GAADRO O=C(C[NH2+]C/C=C\CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N1CCNC(=O)C1 ZINC001593398616 1076246318 /nfs/dbraw/zinc/24/63/18/1076246318.db2.gz ZVCUWARIVWKZJN-UPHRSURJSA-N 1 0 387.404 -1.971 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001593399125 1076246341 /nfs/dbraw/zinc/24/63/41/1076246341.db2.gz CBSISVNQAVVGFX-LLVKDONJSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001593399126 1076246365 /nfs/dbraw/zinc/24/63/65/1076246365.db2.gz CBSISVNQAVVGFX-NSHDSACASA-N 1 0 387.404 -1.059 20 0 GAADRO O=C1CNC(=O)N1CC[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001593399423 1076246882 /nfs/dbraw/zinc/24/68/82/1076246882.db2.gz HSHXQXCOLWSALS-UHFFFAOYSA-N 1 0 380.390 -1.823 20 0 GAADRO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001593399462 1076246722 /nfs/dbraw/zinc/24/67/22/1076246722.db2.gz KKXKCQFGVPTOKK-SNVBAGLBSA-N 1 0 385.388 -1.362 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001593399696 1076246903 /nfs/dbraw/zinc/24/69/03/1076246903.db2.gz OTHLQZRDVPMMLB-SNVBAGLBSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001593399811 1076246732 /nfs/dbraw/zinc/24/67/32/1076246732.db2.gz XMESVKHFZRLBDZ-GXFFZTMASA-N 1 0 399.415 -1.107 20 0 GAADRO O=C(NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CC(=O)NC(=O)N1 ZINC001593401076 1076247125 /nfs/dbraw/zinc/24/71/25/1076247125.db2.gz CFYHFAWGPXBQBE-NSHDSACASA-N 1 0 376.352 -1.190 20 0 GAADRO O=C(NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CC(=O)NC(=O)N1 ZINC001593401334 1076247582 /nfs/dbraw/zinc/24/75/82/1076247582.db2.gz MYZXOIIYROFUGO-NSHDSACASA-N 1 0 376.352 -1.190 20 0 GAADRO O=C(NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001593401608 1076247591 /nfs/dbraw/zinc/24/75/91/1076247591.db2.gz SVLPCZDKYMNFQU-AUTRQRHGSA-N 1 0 385.388 -1.412 20 0 GAADRO O=C(NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CC(=O)NC(=O)N1 ZINC001593401681 1076247487 /nfs/dbraw/zinc/24/74/87/1076247487.db2.gz XSOTVNRUAJURRB-NSHDSACASA-N 1 0 376.352 -1.190 20 0 GAADRO O=C([C@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001593402331 1076247548 /nfs/dbraw/zinc/24/75/48/1076247548.db2.gz CZQRWYSWDGIFGY-CYBMUJFWSA-N 1 0 375.389 -1.114 20 0 GAADRO O=C([C@@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001593402332 1076247798 /nfs/dbraw/zinc/24/77/98/1076247798.db2.gz CZQRWYSWDGIFGY-ZDUSSCGKSA-N 1 0 375.389 -1.114 20 0 GAADRO O=C([C@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001593402460 1076247795 /nfs/dbraw/zinc/24/77/95/1076247795.db2.gz GJWUVPDHACMGJG-CYBMUJFWSA-N 1 0 375.389 -1.114 20 0 GAADRO O=C([C@@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001593402461 1076247810 /nfs/dbraw/zinc/24/78/10/1076247810.db2.gz GJWUVPDHACMGJG-ZDUSSCGKSA-N 1 0 375.389 -1.114 20 0 GAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001593402815 1076247971 /nfs/dbraw/zinc/24/79/71/1076247971.db2.gz OMONBRJUPWIJLC-CABZTGNLSA-N 1 0 385.388 -1.315 20 0 GAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001593402818 1076247987 /nfs/dbraw/zinc/24/79/87/1076247987.db2.gz OMONBRJUPWIJLC-SKDRFNHKSA-N 1 0 385.388 -1.315 20 0 GAADRO O=C([C@@H]1COC(=O)N1)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403023 1076248299 /nfs/dbraw/zinc/24/82/99/1076248299.db2.gz SRCPAKDCROXOQN-BLLLJJGKSA-N 1 0 388.388 -1.443 20 0 GAADRO O=C([C@@H]1COC(=O)N1)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403024 1076248361 /nfs/dbraw/zinc/24/83/61/1076248361.db2.gz SRCPAKDCROXOQN-LRDDRELGSA-N 1 0 388.388 -1.443 20 0 GAADRO O=C([C@H]1COC(=O)N1)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403025 1076248431 /nfs/dbraw/zinc/24/84/31/1076248431.db2.gz SRCPAKDCROXOQN-MLGOLLRUSA-N 1 0 388.388 -1.443 20 0 GAADRO O=C([C@H]1COC(=O)N1)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403026 1076248387 /nfs/dbraw/zinc/24/83/87/1076248387.db2.gz SRCPAKDCROXOQN-WBMJQRKESA-N 1 0 388.388 -1.443 20 0 GAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001593403033 1076248350 /nfs/dbraw/zinc/24/83/50/1076248350.db2.gz TVAWVYGPFDWMCT-LBPRGKRZSA-N 1 0 385.388 -1.315 20 0 GAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403230 1076248313 /nfs/dbraw/zinc/24/83/13/1076248313.db2.gz YLOVIENHENMBKE-CABZTGNLSA-N 1 0 385.388 -1.315 20 0 GAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403245 1076248324 /nfs/dbraw/zinc/24/83/24/1076248324.db2.gz ZAXPYHYUCAGVLC-CABZTGNLSA-N 1 0 385.388 -1.458 20 0 GAADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403246 1076248681 /nfs/dbraw/zinc/24/86/81/1076248681.db2.gz ZAXPYHYUCAGVLC-SKDRFNHKSA-N 1 0 385.388 -1.458 20 0 GAADRO O=C([C@@H]1COC(=O)N1)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403305 1076248888 /nfs/dbraw/zinc/24/88/88/1076248888.db2.gz MATMSBCMGCNZJT-GWCFXTLKSA-N 1 0 388.388 -1.179 20 0 GAADRO O=C([C@H]1COC(=O)N1)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403306 1076248901 /nfs/dbraw/zinc/24/89/01/1076248901.db2.gz MATMSBCMGCNZJT-GXFFZTMASA-N 1 0 388.388 -1.179 20 0 GAADRO O=C([C@@H]1COC(=O)N1)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403307 1076248767 /nfs/dbraw/zinc/24/87/67/1076248767.db2.gz MATMSBCMGCNZJT-MFKMUULPSA-N 1 0 388.388 -1.179 20 0 GAADRO O=C([C@H]1COC(=O)N1)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403308 1076248847 /nfs/dbraw/zinc/24/88/47/1076248847.db2.gz MATMSBCMGCNZJT-ZWNOBZJWSA-N 1 0 388.388 -1.179 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403595 1076249262 /nfs/dbraw/zinc/24/92/62/1076249262.db2.gz KDXDTTGFHVJYII-GWCFXTLKSA-N 1 0 387.404 -1.606 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403596 1076249083 /nfs/dbraw/zinc/24/90/83/1076249083.db2.gz KDXDTTGFHVJYII-GXFFZTMASA-N 1 0 387.404 -1.606 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403597 1076249284 /nfs/dbraw/zinc/24/92/84/1076249284.db2.gz KDXDTTGFHVJYII-MFKMUULPSA-N 1 0 387.404 -1.606 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593403598 1076249201 /nfs/dbraw/zinc/24/92/01/1076249201.db2.gz KDXDTTGFHVJYII-ZWNOBZJWSA-N 1 0 387.404 -1.606 20 0 GAADRO O=C(NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)[C@@H]1CCNC1=O ZINC001593404015 1076249463 /nfs/dbraw/zinc/24/94/63/1076249463.db2.gz DMAKENYRWADCSJ-LLVKDONJSA-N 1 0 386.416 -1.103 20 0 GAADRO O=C(NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)[C@H]1CCNC1=O ZINC001593404018 1076250063 /nfs/dbraw/zinc/25/00/63/1076250063.db2.gz DMAKENYRWADCSJ-NSHDSACASA-N 1 0 386.416 -1.103 20 0 GAADRO O=C([C@@H]1CCNC1=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001593404160 1076250074 /nfs/dbraw/zinc/25/00/74/1076250074.db2.gz GQMCMQAYDKJLFT-LLVKDONJSA-N 1 0 379.446 -1.025 20 0 GAADRO O=C([C@H]1CCNC1=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001593404161 1076250103 /nfs/dbraw/zinc/25/01/03/1076250103.db2.gz GQMCMQAYDKJLFT-NSHDSACASA-N 1 0 379.446 -1.025 20 0 GAADRO O=C(NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCNC1=O ZINC001593404433 1076249967 /nfs/dbraw/zinc/24/99/67/1076249967.db2.gz IKGGUFPLWCSRLT-LLVKDONJSA-N 1 0 386.416 -1.155 20 0 GAADRO O=C(NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCNC1=O ZINC001593404434 1076249999 /nfs/dbraw/zinc/24/99/99/1076249999.db2.gz IKGGUFPLWCSRLT-NSHDSACASA-N 1 0 386.416 -1.155 20 0 GAADRO O=C([C@H]1CCNC1=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593405613 1076250851 /nfs/dbraw/zinc/25/08/51/1076250851.db2.gz QAMSPGUMLYOAGJ-NEPJUHHUSA-N 1 0 386.416 -1.151 20 0 GAADRO O=C([C@@H]1CCNC1=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593405614 1076250826 /nfs/dbraw/zinc/25/08/26/1076250826.db2.gz QAMSPGUMLYOAGJ-NWDGAFQWSA-N 1 0 386.416 -1.151 20 0 GAADRO O=C([C@H]1CCNC1=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593405615 1076250735 /nfs/dbraw/zinc/25/07/35/1076250735.db2.gz QAMSPGUMLYOAGJ-RYUDHWBXSA-N 1 0 386.416 -1.151 20 0 GAADRO O=C([C@@H]1CCNC1=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001593405617 1076250743 /nfs/dbraw/zinc/25/07/43/1076250743.db2.gz QAMSPGUMLYOAGJ-VXGBXAGGSA-N 1 0 386.416 -1.151 20 0 GAADRO O=C([C@@H]1CCNC1=O)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001593405977 1076251273 /nfs/dbraw/zinc/25/12/73/1076251273.db2.gz SCYPSTGUVSLAIZ-LLVKDONJSA-N 1 0 386.416 -1.415 20 0 GAADRO O=C([C@H]1CCNC1=O)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001593405978 1076251263 /nfs/dbraw/zinc/25/12/63/1076251263.db2.gz SCYPSTGUVSLAIZ-NSHDSACASA-N 1 0 386.416 -1.415 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCNC1=O ZINC001593406312 1076251285 /nfs/dbraw/zinc/25/12/85/1076251285.db2.gz BGSJFIINGLQDRN-GHMZBOCLSA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCNC1=O ZINC001593406314 1076251128 /nfs/dbraw/zinc/25/11/28/1076251128.db2.gz BGSJFIINGLQDRN-MNOVXSKESA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCNC1=O ZINC001593406316 1076251180 /nfs/dbraw/zinc/25/11/80/1076251180.db2.gz BGSJFIINGLQDRN-QWRGUYRKSA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCNC1=O ZINC001593406318 1076251134 /nfs/dbraw/zinc/25/11/34/1076251134.db2.gz BGSJFIINGLQDRN-WDEREUQCSA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NCCOCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CNC(=O)N1 ZINC001593407238 1076252026 /nfs/dbraw/zinc/25/20/26/1076252026.db2.gz ZJIDZOVYBUCVRX-GFCCVEGCSA-N 1 0 375.393 -1.700 20 0 GAADRO O=C(NCCOCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CNC(=O)N1 ZINC001593407239 1076251919 /nfs/dbraw/zinc/25/19/19/1076251919.db2.gz ZJIDZOVYBUCVRX-LBPRGKRZSA-N 1 0 375.393 -1.700 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCNC1=O ZINC001593408405 1076252566 /nfs/dbraw/zinc/25/25/66/1076252566.db2.gz KUPDNGKLLNZXNJ-GHMZBOCLSA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCNC1=O ZINC001593408407 1076252631 /nfs/dbraw/zinc/25/26/31/1076252631.db2.gz KUPDNGKLLNZXNJ-MNOVXSKESA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCNC1=O ZINC001593408409 1076252679 /nfs/dbraw/zinc/25/26/79/1076252679.db2.gz KUPDNGKLLNZXNJ-QWRGUYRKSA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCNC1=O ZINC001593408411 1076253025 /nfs/dbraw/zinc/25/30/25/1076253025.db2.gz KUPDNGKLLNZXNJ-WDEREUQCSA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCNC1=O ZINC001593409188 1076253771 /nfs/dbraw/zinc/25/37/71/1076253771.db2.gz UMUGPPSQXXLIHP-AAEUAGOBSA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCNC1=O ZINC001593409189 1076253911 /nfs/dbraw/zinc/25/39/11/1076253911.db2.gz UMUGPPSQXXLIHP-DGCLKSJQSA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCNC1=O ZINC001593409190 1076253829 /nfs/dbraw/zinc/25/38/29/1076253829.db2.gz UMUGPPSQXXLIHP-WCQYABFASA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCNC1=O ZINC001593409191 1076253823 /nfs/dbraw/zinc/25/38/23/1076253823.db2.gz UMUGPPSQXXLIHP-YPMHNXCESA-N 1 0 377.380 -1.291 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001593409863 1076254250 /nfs/dbraw/zinc/25/42/50/1076254250.db2.gz QNOCUTPBSWEDNF-GFCCVEGCSA-N 1 0 389.420 -1.349 20 0 GAADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001593409864 1076254152 /nfs/dbraw/zinc/25/41/52/1076254152.db2.gz QNOCUTPBSWEDNF-LBPRGKRZSA-N 1 0 389.420 -1.349 20 0 GAADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001593409902 1076254106 /nfs/dbraw/zinc/25/41/06/1076254106.db2.gz SASGCMHMCPKXLT-UHFFFAOYSA-N 1 0 377.409 -1.756 20 0 GAADRO O=C([C@@H]1CNC(=O)N1)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001593412641 1076254170 /nfs/dbraw/zinc/25/41/70/1076254170.db2.gz AJEYEZQVDUXRTD-JTQLQIEISA-N 1 0 380.434 -1.480 20 0 GAADRO O=C([C@H]1CNC(=O)N1)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001593412642 1076254223 /nfs/dbraw/zinc/25/42/23/1076254223.db2.gz AJEYEZQVDUXRTD-SNVBAGLBSA-N 1 0 380.434 -1.480 20 0 GAADRO O=S(=O)(CC[NH2+]CCCn1cc(CO)nn1)c1ccc(-c2nn[nH]n2)cn1 ZINC001593420932 1076254545 /nfs/dbraw/zinc/25/45/45/1076254545.db2.gz BFVXCCCGPHJIJG-UHFFFAOYSA-N 1 0 393.433 -1.201 20 0 GAADRO O=S(=O)(CC[NH2+][C@H](CO)CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593422086 1076254483 /nfs/dbraw/zinc/25/44/83/1076254483.db2.gz MBVRPKHARHOBPQ-AWEZNQCLSA-N 1 0 396.473 -1.077 20 0 GAADRO O=S(=O)(CC[NH2+][C@@H](CO)CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593422087 1076254429 /nfs/dbraw/zinc/25/44/29/1076254429.db2.gz MBVRPKHARHOBPQ-CQSZACIVSA-N 1 0 396.473 -1.077 20 0 GAADRO O=S(=O)(CC[NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(-c2nn[nH]n2)cn1 ZINC001593422598 1076254551 /nfs/dbraw/zinc/25/45/51/1076254551.db2.gz SPHIUQBDRYRQAX-LLVKDONJSA-N 1 0 379.406 -1.722 20 0 GAADRO O=S(=O)(CC[NH2+]C[C@H](O)Cn1ccnn1)c1ccc(-c2nn[nH]n2)cn1 ZINC001593422599 1076254492 /nfs/dbraw/zinc/25/44/92/1076254492.db2.gz SPHIUQBDRYRQAX-NSHDSACASA-N 1 0 379.406 -1.722 20 0 GAADRO O=S1(=O)C[C@H]([NH2+]Cc2ccncc2-c2nn[nH]n2)[C@@H](N2CCOCC2)C1 ZINC001593460917 1076254696 /nfs/dbraw/zinc/25/46/96/1076254696.db2.gz OZIWYOAZYRDXOK-KBPBESRZSA-N 1 0 379.446 -1.151 20 0 GAADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccncc2-c2nn[nH]n2)C1 ZINC001593460921 1076254953 /nfs/dbraw/zinc/25/49/53/1076254953.db2.gz OZIWYOAZYRDXOK-KGLIPLIRSA-N 1 0 379.446 -1.151 20 0 GAADRO O=S1(=O)C[C@H]([NH2+]Cc2ccncc2-c2nn[nH]n2)[C@H](N2CCOCC2)C1 ZINC001593460925 1076255217 /nfs/dbraw/zinc/25/52/17/1076255217.db2.gz OZIWYOAZYRDXOK-UONOGXRCSA-N 1 0 379.446 -1.151 20 0 GAADRO O=S1(=O)C[C@@H]([NH2+]Cc2ccncc2-c2nn[nH]n2)[C@H](N2CCOCC2)C1 ZINC001593460928 1076255178 /nfs/dbraw/zinc/25/51/78/1076255178.db2.gz OZIWYOAZYRDXOK-ZIAGYGMSSA-N 1 0 379.446 -1.151 20 0 GAADRO OC[C@]12COCCN1CC[N@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001593524897 1076255512 /nfs/dbraw/zinc/25/55/12/1076255512.db2.gz VUOFVDZPSBIXGR-KBXCAEBGSA-N 1 0 390.444 -1.015 20 0 GAADRO OC[C@@]12COCCN1CC[N@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001593524904 1076255545 /nfs/dbraw/zinc/25/55/45/1076255545.db2.gz VUOFVDZPSBIXGR-KDOFPFPSSA-N 1 0 390.444 -1.015 20 0 GAADRO OC[C@@]12COCCN1CC[N@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001593524906 1076255629 /nfs/dbraw/zinc/25/56/29/1076255629.db2.gz VUOFVDZPSBIXGR-KSSFIOAISA-N 1 0 390.444 -1.015 20 0 GAADRO OC[C@]12COCCN1CC[N@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C2 ZINC001593524909 1076255720 /nfs/dbraw/zinc/25/57/20/1076255720.db2.gz VUOFVDZPSBIXGR-RDTXWAMCSA-N 1 0 390.444 -1.015 20 0 GAADRO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001593721169 1076256008 /nfs/dbraw/zinc/25/60/08/1076256008.db2.gz GNRWCJXVIGGYKS-IXDOHACOSA-N 1 0 380.489 -1.165 20 0 GAADRO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001593721171 1076255964 /nfs/dbraw/zinc/25/59/64/1076255964.db2.gz GNRWCJXVIGGYKS-YESZJQIVSA-N 1 0 380.489 -1.165 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC([NH2+]C4CCOCC4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001596117590 1076259102 /nfs/dbraw/zinc/25/91/02/1076259102.db2.gz QBGZAKHUOHBAIO-BZUAXINKSA-N 1 0 377.445 -1.110 20 0 GAADRO NS(=O)(=O)N1CCC(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC001597302709 1076260614 /nfs/dbraw/zinc/26/06/14/1076260614.db2.gz FHHMMLKHIFGPIE-UHFFFAOYSA-N 1 0 390.506 -1.412 20 0 GAADRO NC(=O)c1cn(CCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(=O)[nH]c1=O ZINC001597520609 1076261214 /nfs/dbraw/zinc/26/12/14/1076261214.db2.gz FBLPALYHSYEHCV-GFCCVEGCSA-N 1 0 379.417 -1.381 20 0 GAADRO NC(=O)c1cn(CCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(=O)[nH]c1=O ZINC001597520610 1076261274 /nfs/dbraw/zinc/26/12/74/1076261274.db2.gz FBLPALYHSYEHCV-LBPRGKRZSA-N 1 0 379.417 -1.381 20 0 GAADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)CC1 ZINC001598130145 990567526 /nfs/dbraw/zinc/56/75/26/990567526.db2.gz QXUAXOFVCQYVJR-IYOUNJFTSA-N 1 0 381.477 -1.657 20 0 GAADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598225821 990919227 /nfs/dbraw/zinc/91/92/27/990919227.db2.gz YOVKBYJGZKZRGF-KRWDZBQOSA-N 1 0 383.449 -1.230 20 0 GAADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001598225822 990918961 /nfs/dbraw/zinc/91/89/61/990918961.db2.gz YOVKBYJGZKZRGF-QGZVFWFLSA-N 1 0 383.449 -1.230 20 0 GAADRO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C[C@H]1C[NH+](C)C ZINC001598246028 991000490 /nfs/dbraw/zinc/00/04/90/991000490.db2.gz AZWWFFKICPADQG-KBUPBQIOSA-N 1 0 384.477 -1.210 20 0 GAADRO Cn1c(=O)ccn(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1=O ZINC001598292071 1076262199 /nfs/dbraw/zinc/26/21/99/1076262199.db2.gz IQHGVTXHVKCAMN-UHFFFAOYSA-N 1 0 377.445 -1.121 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001598393604 1076262151 /nfs/dbraw/zinc/26/21/51/1076262151.db2.gz USQFZOBKJWAJGW-CYBMUJFWSA-N 1 0 378.481 -1.147 20 0 GAADRO CC(C)C[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)NCC[NH+](C)C ZINC001598406389 1076262182 /nfs/dbraw/zinc/26/21/82/1076262182.db2.gz AABMHSQPVSDDIA-RYUDHWBXSA-N 1 0 376.479 -1.892 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H](C(=O)[O-])O1 ZINC001599910947 984984341 /nfs/dbraw/zinc/98/43/41/984984341.db2.gz MICNANHCJDKQDY-YJNKXOJESA-N 1 0 384.477 -1.115 20 0 GAADRO CC(=O)N(C)CC(=O)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001602919861 1076273916 /nfs/dbraw/zinc/27/39/16/1076273916.db2.gz YNCBNCLBZKSHLV-KRWDZBQOSA-N 1 0 388.432 -1.073 20 0 GAADRO CC(=O)N(C)CC(=O)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001602919862 1076274024 /nfs/dbraw/zinc/27/40/24/1076274024.db2.gz YNCBNCLBZKSHLV-QGZVFWFLSA-N 1 0 388.432 -1.073 20 0 GAADRO CC(=O)N1CC(C(=O)N(CCO)CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001602921010 1076273927 /nfs/dbraw/zinc/27/39/27/1076273927.db2.gz MEDXCQJXEXGDLQ-UHFFFAOYSA-N 1 0 388.432 -1.297 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001602942363 1076275539 /nfs/dbraw/zinc/27/55/39/1076275539.db2.gz HJGLECPNRKJOKM-PHIMTYICSA-N 1 0 387.404 -2.005 20 0 GAADRO CC(=O)NCC(=O)NCCN1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001602942416 1076275530 /nfs/dbraw/zinc/27/55/30/1076275530.db2.gz LFESOFQFVDTLRM-UHFFFAOYSA-N 1 0 387.448 -1.056 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 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O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001606695729 1076386351 /nfs/dbraw/zinc/38/63/51/1076386351.db2.gz JJYXUKCMYFALQS-ZDUSSCGKSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC001606696108 1076386400 /nfs/dbraw/zinc/38/64/00/1076386400.db2.gz XPOINDWAHJHYAT-NXEZZACHSA-N 1 0 381.418 -1.993 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC001606696110 1076386359 /nfs/dbraw/zinc/38/63/59/1076386359.db2.gz XPOINDWAHJHYAT-UWVGGRQHSA-N 1 0 381.418 -1.993 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC001606696111 1076386402 /nfs/dbraw/zinc/38/64/02/1076386402.db2.gz XPOINDWAHJHYAT-VHSXEESVSA-N 1 0 381.418 -1.993 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC001606696112 1076386570 /nfs/dbraw/zinc/38/65/70/1076386570.db2.gz XPOINDWAHJHYAT-ZJUUUORDSA-N 1 0 381.418 -1.993 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCc2nncn2C1 ZINC001606696356 1076386685 /nfs/dbraw/zinc/38/66/85/1076386685.db2.gz YOHAZYYNGHATQI-GHMZBOCLSA-N 1 0 384.404 -1.573 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCc2nncn2C1 ZINC001606696357 1076386524 /nfs/dbraw/zinc/38/65/24/1076386524.db2.gz YOHAZYYNGHATQI-MNOVXSKESA-N 1 0 384.404 -1.573 20 0 GAADRO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCc2nncn2C1 ZINC001606696359 1076386539 /nfs/dbraw/zinc/38/65/39/1076386539.db2.gz YOHAZYYNGHATQI-QWRGUYRKSA-N 1 0 384.404 -1.573 20 0 GAADRO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCc2nncn2C1 ZINC001606696360 1076386694 /nfs/dbraw/zinc/38/66/94/1076386694.db2.gz YOHAZYYNGHATQI-WDEREUQCSA-N 1 0 384.404 -1.573 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccnc2ccnn21 ZINC001606702769 1076387150 /nfs/dbraw/zinc/38/71/50/1076387150.db2.gz AJFXXDWODBYXSS-JTQLQIEISA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccnc2ccnn21 ZINC001606702773 1076387084 /nfs/dbraw/zinc/38/70/84/1076387084.db2.gz AJFXXDWODBYXSS-SNVBAGLBSA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCc2nncn2C1 ZINC001606703589 1076387115 /nfs/dbraw/zinc/38/71/15/1076387115.db2.gz IPHNBBBLQKJKRI-GHMZBOCLSA-N 1 0 384.404 -1.573 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCc2nncn2C1 ZINC001606703590 1076387145 /nfs/dbraw/zinc/38/71/45/1076387145.db2.gz IPHNBBBLQKJKRI-MNOVXSKESA-N 1 0 384.404 -1.573 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCc2nncn2C1 ZINC001606703592 1076387141 /nfs/dbraw/zinc/38/71/41/1076387141.db2.gz IPHNBBBLQKJKRI-QWRGUYRKSA-N 1 0 384.404 -1.573 20 0 GAADRO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCc2nncn2C1 ZINC001606703593 1076387119 /nfs/dbraw/zinc/38/71/19/1076387119.db2.gz IPHNBBBLQKJKRI-WDEREUQCSA-N 1 0 384.404 -1.573 20 0 GAADRO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1nccn2ccnc12 ZINC001606704873 1076387494 /nfs/dbraw/zinc/38/74/94/1076387494.db2.gz WLWAONFPIRKRNT-JTQLQIEISA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1nccn2ccnc12 ZINC001606704874 1076387363 /nfs/dbraw/zinc/38/73/63/1076387363.db2.gz WLWAONFPIRKRNT-SNVBAGLBSA-N 1 0 380.372 -1.071 20 0 GAADRO O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001606719164 1076387888 /nfs/dbraw/zinc/38/78/88/1076387888.db2.gz GOGQCDMBIWOAGQ-UHFFFAOYSA-N 1 0 387.404 -1.155 20 0 GAADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001606731606 1076388297 /nfs/dbraw/zinc/38/82/97/1076388297.db2.gz NDIFNRUCXFRWGE-GFCCVEGCSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001606731607 1076388713 /nfs/dbraw/zinc/38/87/13/1076388713.db2.gz NDIFNRUCXFRWGE-LBPRGKRZSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(NC[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001606731927 1076388799 /nfs/dbraw/zinc/38/87/99/1076388799.db2.gz VMKUTPUZNYYLJE-LLVKDONJSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(NC[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001606731928 1076388584 /nfs/dbraw/zinc/38/85/84/1076388584.db2.gz VMKUTPUZNYYLJE-NSHDSACASA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001606731933 1076388568 /nfs/dbraw/zinc/38/85/68/1076388568.db2.gz VQKSOAAIPKJNMZ-CYBMUJFWSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001606731934 1076388741 /nfs/dbraw/zinc/38/87/41/1076388741.db2.gz VQKSOAAIPKJNMZ-ZDUSSCGKSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(NC[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001606731991 1076388665 /nfs/dbraw/zinc/38/86/65/1076388665.db2.gz XIUMDTRAWZMHLY-JTQLQIEISA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(NC[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001606731993 1076388531 /nfs/dbraw/zinc/38/85/31/1076388531.db2.gz XIUMDTRAWZMHLY-SNVBAGLBSA-N 1 0 387.404 -1.059 20 0 GAADRO O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001606736461 1076388635 /nfs/dbraw/zinc/38/86/35/1076388635.db2.gz KTWMSXQRDDAFIL-JTQLQIEISA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001606736463 1076388730 /nfs/dbraw/zinc/38/87/30/1076388730.db2.gz KTWMSXQRDDAFIL-SNVBAGLBSA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001606737201 1076388782 /nfs/dbraw/zinc/38/87/82/1076388782.db2.gz VPVAAOWGSXJSPR-JTQLQIEISA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001606737203 1076388753 /nfs/dbraw/zinc/38/87/53/1076388753.db2.gz VPVAAOWGSXJSPR-SNVBAGLBSA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(NCC1C[NH+](CCCN2C(=O)CNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001606743981 1076389010 /nfs/dbraw/zinc/38/90/10/1076389010.db2.gz WCYZZASRGJXCJW-UHFFFAOYSA-N 1 0 387.404 -1.202 20 0 GAADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 ZINC001606749098 1076389620 /nfs/dbraw/zinc/38/96/20/1076389620.db2.gz AYDIAZSAICDXIW-LLVKDONJSA-N 1 0 398.387 -1.510 20 0 GAADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 ZINC001606749099 1076389645 /nfs/dbraw/zinc/38/96/45/1076389645.db2.gz AYDIAZSAICDXIW-NSHDSACASA-N 1 0 398.387 -1.510 20 0 GAADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC001606750040 1076389467 /nfs/dbraw/zinc/38/94/67/1076389467.db2.gz UUJYHAZTGIARFR-UHFFFAOYSA-N 1 0 388.407 -1.010 20 0 GAADRO O=C(NCCN1CC[NH2+]CC1)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001606778836 1076390895 /nfs/dbraw/zinc/39/08/95/1076390895.db2.gz ILLGSCYETSOPJQ-UHFFFAOYSA-N 1 0 386.464 -1.002 20 0 GAADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001606779043 1076390663 /nfs/dbraw/zinc/39/06/63/1076390663.db2.gz WWYKASPRPOHDBV-HNNXBMFYSA-N 1 0 384.444 -1.529 20 0 GAADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001606779044 1076390702 /nfs/dbraw/zinc/39/07/02/1076390702.db2.gz WWYKASPRPOHDBV-OAHLLOKOSA-N 1 0 384.444 -1.529 20 0 GAADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001606779057 1076390736 /nfs/dbraw/zinc/39/07/36/1076390736.db2.gz XNCXOAWOMODZCL-UHFFFAOYSA-N 1 0 385.432 -1.222 20 0 GAADRO O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)C1(n2cnnn2)CCOCC1 ZINC001606780761 1076390833 /nfs/dbraw/zinc/39/08/33/1076390833.db2.gz MBSNMDQWRISCLD-UHFFFAOYSA-N 1 0 385.392 -1.596 20 0 GAADRO O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001606780972 1076390915 /nfs/dbraw/zinc/39/09/15/1076390915.db2.gz TVAWTQSGBXTBHL-JTQLQIEISA-N 1 0 382.388 -1.012 20 0 GAADRO O=C(NCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001606780973 1076390858 /nfs/dbraw/zinc/39/08/58/1076390858.db2.gz TVAWTQSGBXTBHL-SNVBAGLBSA-N 1 0 382.388 -1.012 20 0 GAADRO O=C(CNC(=O)C(=O)NCCc1ccc(-c2nn[nH]n2)cc1)N1CC[NH2+]CC1 ZINC001606795013 1076391352 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O=C([C@@H]1CCNC1=O)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001607053428 1076402449 /nfs/dbraw/zinc/40/24/49/1076402449.db2.gz OMFLACSLCPBFHI-DIFFPNOSSA-N 1 0 386.416 -1.415 20 0 GAADRO O=C([C@H]1CCNC1=O)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001607053429 1076402424 /nfs/dbraw/zinc/40/24/24/1076402424.db2.gz OMFLACSLCPBFHI-GTNSWQLSSA-N 1 0 386.416 -1.415 20 0 GAADRO O=C([C@@H]1CCNC1=O)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001607053431 1076402759 /nfs/dbraw/zinc/40/27/59/1076402759.db2.gz OMFLACSLCPBFHI-PIGZYNQJSA-N 1 0 386.416 -1.415 20 0 GAADRO O=S(=O)(CC[NH2+][C@H](CO)CN1CCOCC1)c1cccc(-c2nn[nH]n2)c1 ZINC001607057538 1076402747 /nfs/dbraw/zinc/40/27/47/1076402747.db2.gz KVJFSCXPQGXDEW-AWEZNQCLSA-N 1 0 396.473 -1.077 20 0 GAADRO O=S(=O)(CC[NH2+][C@@H](CO)CN1CCOCC1)c1cccc(-c2nn[nH]n2)c1 ZINC001607057539 1076403159 /nfs/dbraw/zinc/40/31/59/1076403159.db2.gz KVJFSCXPQGXDEW-CQSZACIVSA-N 1 0 396.473 -1.077 20 0 GAADRO O[C@H](C[NH2+]C[C@H](O)COc1ccccc1-c1nn[nH]n1)CN1CCOCC1 ZINC001607095882 1076403385 /nfs/dbraw/zinc/40/33/85/1076403385.db2.gz YWIWIZHZXTTZIJ-KGLIPLIRSA-N 1 0 378.433 -1.111 20 0 GAADRO O[C@H](C[NH2+]C[C@@H](O)CN1CCOCC1)COc1ccccc1-c1nn[nH]n1 ZINC001607095887 1076403514 /nfs/dbraw/zinc/40/35/14/1076403514.db2.gz YWIWIZHZXTTZIJ-ZIAGYGMSSA-N 1 0 378.433 -1.111 20 0 GAADRO OC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001607102416 1076403465 /nfs/dbraw/zinc/40/34/65/1076403465.db2.gz BMEDORHCFVFHAD-CABCVRRESA-N 1 0 378.433 -1.111 20 0 GAADRO OC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001607102418 1076403457 /nfs/dbraw/zinc/40/34/57/1076403457.db2.gz BMEDORHCFVFHAD-GJZGRUSLSA-N 1 0 378.433 -1.111 20 0 GAADRO OC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001607102420 1076403486 /nfs/dbraw/zinc/40/34/86/1076403486.db2.gz BMEDORHCFVFHAD-HUUCEWRRSA-N 1 0 378.433 -1.111 20 0 GAADRO OC[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 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1076413028 /nfs/dbraw/zinc/41/30/28/1076413028.db2.gz ZUFCJNBKOGDOSY-GWCFXTLKSA-N 1 0 395.445 -1.280 20 0 GAADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001609117849 1076412982 /nfs/dbraw/zinc/41/29/82/1076412982.db2.gz ZUFCJNBKOGDOSY-GXFFZTMASA-N 1 0 395.445 -1.280 20 0 GAADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001609117850 1076412952 /nfs/dbraw/zinc/41/29/52/1076412952.db2.gz ZUFCJNBKOGDOSY-MFKMUULPSA-N 1 0 395.445 -1.280 20 0 GAADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001609117851 1076412988 /nfs/dbraw/zinc/41/29/88/1076412988.db2.gz ZUFCJNBKOGDOSY-ZWNOBZJWSA-N 1 0 395.445 -1.280 20 0 GAADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)CC[NH2+]1 ZINC001609169589 1076413843 /nfs/dbraw/zinc/41/38/43/1076413843.db2.gz JPJFJMLYFWPXFU-LBPRGKRZSA-N 1 0 385.432 -1.269 20 0 GAADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001609176741 1076413837 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SSYZCDRYSBFZIF-UHFFFAOYSA-N 1 0 397.461 -1.161 20 0 GAADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001609289475 1076417467 /nfs/dbraw/zinc/41/74/67/1076417467.db2.gz HJQNQERTHZFPOI-UHFFFAOYSA-N 1 0 387.448 -1.022 20 0 GAADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001609289675 1076417388 /nfs/dbraw/zinc/41/73/88/1076417388.db2.gz QFRDQOLNCVDFTB-UHFFFAOYSA-N 1 0 387.448 -1.022 20 0 GAADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1-c1nn[nH]n1 ZINC001609289713 1076417397 /nfs/dbraw/zinc/41/73/97/1076417397.db2.gz AUKYOTYVYXWQAW-UHFFFAOYSA-N 1 0 388.392 -1.759 20 0 GAADRO C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC001609290112 1076417500 /nfs/dbraw/zinc/41/75/00/1076417500.db2.gz NFDSTBPFAUXHEN-CYBMUJFWSA-N 1 0 386.416 -1.186 20 0 GAADRO C[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC001609290113 1076417509 /nfs/dbraw/zinc/41/75/09/1076417509.db2.gz NFDSTBPFAUXHEN-ZDUSSCGKSA-N 1 0 386.416 -1.186 20 0 GAADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2snc(C)c2-c2nn[nH]n2)CC1 ZINC001609290250 1076417493 /nfs/dbraw/zinc/41/74/93/1076417493.db2.gz YGIBXVNTTRMXJN-UHFFFAOYSA-N 1 0 393.477 -1.042 20 0 GAADRO CNS(=O)(=O)NCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001609291068 1076417406 /nfs/dbraw/zinc/41/74/06/1076417406.db2.gz QDKZNVXQXIOJAQ-UHFFFAOYSA-N 1 0 396.477 -1.189 20 0 GAADRO COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC001609338479 1076419082 /nfs/dbraw/zinc/41/90/82/1076419082.db2.gz DLABPDGYDGJLCZ-UHFFFAOYSA-N 1 0 395.445 -1.072 20 0 GAADRO Cc1nn(C)c(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)c1-c1nn[nH]n1 ZINC001609459035 1076420882 /nfs/dbraw/zinc/42/08/82/1076420882.db2.gz WJUDMBIWKOPUEP-AWEZNQCLSA-N 1 0 391.480 -1.276 20 0 GAADRO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)c1-c1nn[nH]n1 ZINC001609459036 1076420867 /nfs/dbraw/zinc/42/08/67/1076420867.db2.gz WJUDMBIWKOPUEP-CQSZACIVSA-N 1 0 391.480 -1.276 20 0 GAADRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1-c1nn[nH]n1 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O=S1(=O)C[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)[C@H](N2CCOCC2)C1 ZINC001616209141 1076437792 /nfs/dbraw/zinc/43/77/92/1076437792.db2.gz ZWLZLWLFBNSWTQ-QLFBSQMISA-N 1 0 378.491 -1.634 20 0 GAADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)[C@H](N2CCOCC2)C1 ZINC001616209142 1076437741 /nfs/dbraw/zinc/43/77/41/1076437741.db2.gz ZWLZLWLFBNSWTQ-SOUVJXGZSA-N 1 0 378.491 -1.634 20 0 GAADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001616518723 1076438355 /nfs/dbraw/zinc/43/83/55/1076438355.db2.gz QODVWGBWNNVUDT-DTZQCDIJSA-N 1 0 378.477 -1.338 20 0 GAADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001616518827 1076438337 /nfs/dbraw/zinc/43/83/37/1076438337.db2.gz QODVWGBWNNVUDT-LCGIIJARSA-N 1 0 378.477 -1.338 20 0 GAADRO COC(=O)C[C@@]1([NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCOC1 ZINC001617064228 1076438833 /nfs/dbraw/zinc/43/88/33/1076438833.db2.gz SWHAQHDLAVNNIR-HNNXBMFYSA-N 1 0 377.463 -1.162 20 0 GAADRO COC(=O)C[C@]1([NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCOC1 ZINC001617064234 1076438804 /nfs/dbraw/zinc/43/88/04/1076438804.db2.gz SWHAQHDLAVNNIR-OAHLLOKOSA-N 1 0 377.463 -1.162 20 0 GAADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001617865929 1076439347 /nfs/dbraw/zinc/43/93/47/1076439347.db2.gz DXJXJCMDWVNJSD-AWEZNQCLSA-N 1 0 381.433 -1.035 20 0 GAADRO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001617865934 1076439419 /nfs/dbraw/zinc/43/94/19/1076439419.db2.gz DXJXJCMDWVNJSD-CQSZACIVSA-N 1 0 381.433 -1.035 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001617928825 1076439695 /nfs/dbraw/zinc/43/96/95/1076439695.db2.gz FDEVVAQVIDTULD-UHFFFAOYSA-N 1 0 383.405 -1.241 20 0 GAADRO COCC(COC)[NH+]1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC001618510011 1076441605 /nfs/dbraw/zinc/44/16/05/1076441605.db2.gz GNYJWLPLHMLIOM-UHFFFAOYSA-N 1 0 375.495 -1.023 20 0 GAADRO COCC[N@H+](C)CCCn1c(C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001619873532 1076443606 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JAVCURHNTSFDOW-NDBYEHHHSA-N 1 0 376.413 -1.150 20 0 GAADRO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001620418941 1076444260 /nfs/dbraw/zinc/44/42/60/1076444260.db2.gz JAVCURHNTSFDOW-XQHKEYJVSA-N 1 0 376.413 -1.150 20 0 GAADRO CN1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](CO)C1 ZINC001620433816 1076444271 /nfs/dbraw/zinc/44/42/71/1076444271.db2.gz BDHZBZGWXGUSFR-HNNXBMFYSA-N 1 0 384.502 -1.009 20 0 GAADRO CN1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](CO)C1 ZINC001620433817 1076444825 /nfs/dbraw/zinc/44/48/25/1076444825.db2.gz BDHZBZGWXGUSFR-OAHLLOKOSA-N 1 0 384.502 -1.009 20 0 GAADRO CS(=O)(=O)N1CC(CS(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001621729156 1076446524 /nfs/dbraw/zinc/44/65/24/1076446524.db2.gz ORHLJTLBURLKNU-CYBMUJFWSA-N 1 0 396.535 -1.615 20 0 GAADRO CS(=O)(=O)N1CC(CS(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001621729157 1076446536 /nfs/dbraw/zinc/44/65/36/1076446536.db2.gz ORHLJTLBURLKNU-ZDUSSCGKSA-N 1 0 396.535 -1.615 20 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Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001622632613 1076451344 /nfs/dbraw/zinc/45/13/44/1076451344.db2.gz RGHHEGSAGXYRMJ-GFCCVEGCSA-N 1 0 382.508 -1.255 20 0 GAADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H](O)CS(C)(=O)=O ZINC001622632614 1076451402 /nfs/dbraw/zinc/45/14/02/1076451402.db2.gz RGHHEGSAGXYRMJ-LBPRGKRZSA-N 1 0 382.508 -1.255 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001623436422 1076453014 /nfs/dbraw/zinc/45/30/14/1076453014.db2.gz LJQGJJSHHFQCCO-GFCCVEGCSA-N 1 0 381.433 -1.089 20 0 GAADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001623436423 1076452942 /nfs/dbraw/zinc/45/29/42/1076452942.db2.gz LJQGJJSHHFQCCO-LBPRGKRZSA-N 1 0 381.433 -1.089 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC001623482753 1076452922 /nfs/dbraw/zinc/45/29/22/1076452922.db2.gz AJEVFMQHLNINAY-UHFFFAOYSA-N 1 0 387.462 -1.637 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001623616869 1076453324 /nfs/dbraw/zinc/45/33/24/1076453324.db2.gz VQUMTJPDIMWYSY-CHWSQXEVSA-N 1 0 378.437 -2.057 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001623616870 1076453293 /nfs/dbraw/zinc/45/32/93/1076453293.db2.gz VQUMTJPDIMWYSY-OLZOCXBDSA-N 1 0 378.437 -2.057 20 0 GAADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC001625027821 1076456632 /nfs/dbraw/zinc/45/66/32/1076456632.db2.gz QISMEENYMXXRAR-BBRMVZONSA-N 1 0 375.491 -1.015 20 0 GAADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC001625027822 1076456860 /nfs/dbraw/zinc/45/68/60/1076456860.db2.gz QISMEENYMXXRAR-CJNGLKHVSA-N 1 0 375.491 -1.015 20 0 GAADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC001625027823 1076456973 /nfs/dbraw/zinc/45/69/73/1076456973.db2.gz QISMEENYMXXRAR-CZUORRHYSA-N 1 0 375.491 -1.015 20 0 GAADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC001625027824 1076456949 /nfs/dbraw/zinc/45/69/49/1076456949.db2.gz QISMEENYMXXRAR-XJKSGUPXSA-N 1 0 375.491 -1.015 20 0 GAADRO CN1C(=O)C(=O)N(CC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1=O ZINC001625154295 1076456939 /nfs/dbraw/zinc/45/69/39/1076456939.db2.gz SEBAOCGWOMFYCB-UHFFFAOYSA-N 1 0 379.417 -1.261 20 0 GAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1=O ZINC001625688559 1076458055 /nfs/dbraw/zinc/45/80/55/1076458055.db2.gz CPJJYOZAWVGOGD-BBRMVZONSA-N 1 0 390.506 -1.246 20 0 GAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1=O ZINC001625688560 1076458112 /nfs/dbraw/zinc/45/81/12/1076458112.db2.gz CPJJYOZAWVGOGD-CJNGLKHVSA-N 1 0 390.506 -1.246 20 0 GAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1=O ZINC001625688561 1076458064 /nfs/dbraw/zinc/45/80/64/1076458064.db2.gz CPJJYOZAWVGOGD-CZUORRHYSA-N 1 0 390.506 -1.246 20 0 GAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1=O ZINC001625688562 1076458413 /nfs/dbraw/zinc/45/84/13/1076458413.db2.gz CPJJYOZAWVGOGD-XJKSGUPXSA-N 1 0 390.506 -1.246 20 0 GAADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1=O ZINC001625694267 1076458545 /nfs/dbraw/zinc/45/85/45/1076458545.db2.gz IOLGYOSAPVLGIV-BPLDGKMQSA-N 1 0 380.449 -1.117 20 0 GAADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1=O ZINC001625694268 1076458522 /nfs/dbraw/zinc/45/85/22/1076458522.db2.gz IOLGYOSAPVLGIV-NWANDNLSSA-N 1 0 380.449 -1.117 20 0 GAADRO C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)ccn2)CC1 ZINC001625736551 1076458496 /nfs/dbraw/zinc/45/84/96/1076458496.db2.gz PCIQLSLJQWQEHN-ZDUSSCGKSA-N 1 0 381.458 -1.637 20 0 GAADRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)cn2)CC1 ZINC001625736724 1076458438 /nfs/dbraw/zinc/45/84/38/1076458438.db2.gz RKIOHHFFTQEFPH-AWEZNQCLSA-N 1 0 395.485 -1.247 20 0 GAADRO CN(C)C(=O)Cn1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nn1 ZINC001626354233 1076458994 /nfs/dbraw/zinc/45/89/94/1076458994.db2.gz QYNWHUUPDMPDFF-AWEZNQCLSA-N 1 0 377.449 -1.079 20 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ZINC001626550293 1076459332 /nfs/dbraw/zinc/45/93/32/1076459332.db2.gz ZYUVADUSXOPUAW-ZDUSSCGKSA-N 1 0 375.433 -1.050 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC001626710094 1076460230 /nfs/dbraw/zinc/46/02/30/1076460230.db2.gz SUBIRNLNNBSQEL-INIZCTEOSA-N 1 0 392.522 -1.264 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001626710106 1076460195 /nfs/dbraw/zinc/46/01/95/1076460195.db2.gz SUBIRNLNNBSQEL-MRXNPFEDSA-N 1 0 392.522 -1.264 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC001626823377 1076460331 /nfs/dbraw/zinc/46/03/31/1076460331.db2.gz UWKNXDIIOQKYSJ-KBPBESRZSA-N 1 0 392.522 -1.266 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC001626823378 1076460420 /nfs/dbraw/zinc/46/04/20/1076460420.db2.gz UWKNXDIIOQKYSJ-KGLIPLIRSA-N 1 0 392.522 -1.266 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC001626823379 1076460359 /nfs/dbraw/zinc/46/03/59/1076460359.db2.gz UWKNXDIIOQKYSJ-UONOGXRCSA-N 1 0 392.522 -1.266 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC001626823380 1076460379 /nfs/dbraw/zinc/46/03/79/1076460379.db2.gz UWKNXDIIOQKYSJ-ZIAGYGMSSA-N 1 0 392.522 -1.266 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001626953436 1076460980 /nfs/dbraw/zinc/46/09/80/1076460980.db2.gz AEXGJYWTKJYJHF-AALSBFMBSA-N 1 0 377.445 -1.422 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001626953438 1076460950 /nfs/dbraw/zinc/46/09/50/1076460950.db2.gz AEXGJYWTKJYJHF-OXGONZEZSA-N 1 0 377.445 -1.422 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001626953441 1076461019 /nfs/dbraw/zinc/46/10/19/1076461019.db2.gz AEXGJYWTKJYJHF-UYJHQMFVSA-N 1 0 377.445 -1.422 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001626953444 1076461009 /nfs/dbraw/zinc/46/10/09/1076461009.db2.gz AEXGJYWTKJYJHF-YIDVYQOGSA-N 1 0 377.445 -1.422 20 0 GAADRO C[NH+](C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001626966943 1076460973 /nfs/dbraw/zinc/46/09/73/1076460973.db2.gz XBQZBQAHTIYHKK-LLVKDONJSA-N 1 0 393.487 -1.593 20 0 GAADRO C[NH+](C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001626966944 1076460914 /nfs/dbraw/zinc/46/09/14/1076460914.db2.gz XBQZBQAHTIYHKK-NSHDSACASA-N 1 0 393.487 -1.593 20 0 GAADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001627061387 1076461407 /nfs/dbraw/zinc/46/14/07/1076461407.db2.gz KFCCJRWTTZNFHG-CYBMUJFWSA-N 1 0 394.480 -1.373 20 0 GAADRO C[NH+]1CCN(C(C)(C)CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001627123148 1076461751 /nfs/dbraw/zinc/46/17/51/1076461751.db2.gz DQHLGNRNERYRPW-UHFFFAOYSA-N 1 0 380.449 -1.420 20 0 GAADRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001627153492 1076461738 /nfs/dbraw/zinc/46/17/38/1076461738.db2.gz VCQLIQTVQWUGLR-ZDUSSCGKSA-N 1 0 381.458 -1.637 20 0 GAADRO C[NH+]1CCC2(CC1)CN(C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)CCO2 ZINC001627337537 1076462519 /nfs/dbraw/zinc/46/25/19/1076462519.db2.gz PYBONOLCAIHWRK-UHFFFAOYSA-N 1 0 379.417 -1.239 20 0 GAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001627485494 1076462907 /nfs/dbraw/zinc/46/29/07/1076462907.db2.gz PFGIVYYPSYPNSB-AAEUAGOBSA-N 1 0 378.437 -1.882 20 0 GAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001627485495 1076462944 /nfs/dbraw/zinc/46/29/44/1076462944.db2.gz PFGIVYYPSYPNSB-WCQYABFASA-N 1 0 378.437 -1.882 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001627692388 1076463242 /nfs/dbraw/zinc/46/32/42/1076463242.db2.gz QHQALUXOVIVFRI-CHWSQXEVSA-N 1 0 380.453 -1.763 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001627692389 1076463230 /nfs/dbraw/zinc/46/32/30/1076463230.db2.gz QHQALUXOVIVFRI-OLZOCXBDSA-N 1 0 380.453 -1.763 20 0 GAADRO O=C(NCC[NH+]1CCC(O)CC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001627744193 1076463692 /nfs/dbraw/zinc/46/36/92/1076463692.db2.gz MGPFYTDEOXOZBY-GFCCVEGCSA-N 1 0 386.474 -1.275 20 0 GAADRO O=C(NCC[NH+]1CCC(O)CC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001627744196 1076463790 /nfs/dbraw/zinc/46/37/90/1076463790.db2.gz MGPFYTDEOXOZBY-LBPRGKRZSA-N 1 0 386.474 -1.275 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001628009402 1076464107 /nfs/dbraw/zinc/46/41/07/1076464107.db2.gz ISKIABHKIHYJMF-CYBMUJFWSA-N 1 0 391.432 -1.233 20 0 GAADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001628009403 1076464031 /nfs/dbraw/zinc/46/40/31/1076464031.db2.gz ISKIABHKIHYJMF-ZDUSSCGKSA-N 1 0 391.432 -1.233 20 0 GAADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2CCCCS2(=O)=O)cn1 ZINC001628212019 1076464812 /nfs/dbraw/zinc/46/48/12/1076464812.db2.gz MFBFSIJZMTVDRM-UHFFFAOYSA-N 1 0 386.478 -1.075 20 0 GAADRO CN1CC[NH+](CC2CN(C(=O)c3cnn4c3S(=O)(=O)N(C)CC4)C2)CC1 ZINC001628387138 1076464868 /nfs/dbraw/zinc/46/48/68/1076464868.db2.gz FCYWJMKLOCYUPE-UHFFFAOYSA-N 1 0 382.490 -1.163 20 0 GAADRO CN1CC[NH+](CC2CN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C2)CC1 ZINC001628387350 1076464780 /nfs/dbraw/zinc/46/47/80/1076464780.db2.gz JNTPBSXFSLUZGH-UHFFFAOYSA-N 1 0 378.433 -1.856 20 0 GAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001628767390 1076466651 /nfs/dbraw/zinc/46/66/51/1076466651.db2.gz NHMNMAQANVGPMN-KBXCAEBGSA-N 1 0 387.444 -1.069 20 0 GAADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001628767391 1076466672 /nfs/dbraw/zinc/46/66/72/1076466672.db2.gz NHMNMAQANVGPMN-KSSFIOAISA-N 1 0 387.444 -1.069 20 0 GAADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001628830602 1076466915 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VKYSCNOHQFNNQX-KLHDSHLOSA-N 1 0 379.461 -1.127 20 0 GAADRO CS(=O)(=O)N1CCN(CCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001630789864 1076473382 /nfs/dbraw/zinc/47/33/82/1076473382.db2.gz OWZKXJALGFCLDH-HNNXBMFYSA-N 1 0 391.538 -1.290 20 0 GAADRO CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001630789865 1076473328 /nfs/dbraw/zinc/47/33/28/1076473328.db2.gz OWZKXJALGFCLDH-OAHLLOKOSA-N 1 0 391.538 -1.290 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CCC(O)(C[NH+](C)C)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001630939854 1076473713 /nfs/dbraw/zinc/47/37/13/1076473713.db2.gz YNQPAAPMMTZKKS-RBSFLKMASA-N 1 0 379.461 -1.175 20 0 GAADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001631344385 1076475234 /nfs/dbraw/zinc/47/52/34/1076475234.db2.gz JFRODESJLCWORB-GMXVVIOVSA-N 1 0 377.488 -1.041 20 0 GAADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001631344386 1076475144 /nfs/dbraw/zinc/47/51/44/1076475144.db2.gz JFRODESJLCWORB-GVXVVHGQSA-N 1 0 377.488 -1.041 20 0 GAADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001631344387 1076475076 /nfs/dbraw/zinc/47/50/76/1076475076.db2.gz JFRODESJLCWORB-MDZLAQPJSA-N 1 0 377.488 -1.041 20 0 GAADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001631344388 1076475220 /nfs/dbraw/zinc/47/52/20/1076475220.db2.gz JFRODESJLCWORB-NTZNESFSSA-N 1 0 377.488 -1.041 20 0 GAADRO NS(=O)(=O)c1cnn(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC001631389677 1076475159 /nfs/dbraw/zinc/47/51/59/1076475159.db2.gz GNLLMSPQFJWVGO-UHFFFAOYSA-N 1 0 387.462 -1.784 20 0 GAADRO Cn1cc([C@@H]2[C@@H](C(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001631757470 1076476473 /nfs/dbraw/zinc/47/64/73/1076476473.db2.gz LFGNFHJXRXTCCU-GBJTYRQASA-N 1 0 379.461 -1.128 20 0 GAADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC001631811124 1076476820 /nfs/dbraw/zinc/47/68/20/1076476820.db2.gz JANARJXDFXTVSX-KBPBESRZSA-N 1 0 378.495 -1.159 20 0 GAADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC001631811125 1076476803 /nfs/dbraw/zinc/47/68/03/1076476803.db2.gz JANARJXDFXTVSX-UONOGXRCSA-N 1 0 378.495 -1.159 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC1=O ZINC001631969022 1076477233 /nfs/dbraw/zinc/47/72/33/1076477233.db2.gz DQDCAHBSBIBFMI-UHFFFAOYSA-N 1 0 394.457 -1.172 20 0 GAADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC001632168622 1076477865 /nfs/dbraw/zinc/47/78/65/1076477865.db2.gz BMXVEZOECNKCRX-UHFFFAOYSA-N 1 0 392.522 -1.217 20 0 GAADRO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001632580527 1076478938 /nfs/dbraw/zinc/47/89/38/1076478938.db2.gz GVAJQXOHZJAREW-BZUAXINKSA-N 1 0 380.493 -1.090 20 0 GAADRO CN1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC[N@H+](C)CC1 ZINC001632584709 1076479087 /nfs/dbraw/zinc/47/90/87/1076479087.db2.gz VMACVKDIMFWYJO-UHFFFAOYSA-N 1 0 388.494 -1.017 20 0 GAADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001632605774 1076479471 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Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001655057414 1076542101 /nfs/dbraw/zinc/54/21/01/1076542101.db2.gz LMZFAPGRNZORPN-OKILXGFUSA-N 1 0 375.429 -1.089 20 0 GAADRO Cc1ccc(NC(=O)CN(C)C(=O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001655057415 1076542060 /nfs/dbraw/zinc/54/20/60/1076542060.db2.gz LMZFAPGRNZORPN-ZIAGYGMSSA-N 1 0 375.429 -1.089 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CCCOC(C)=O ZINC001655132569 1076542133 /nfs/dbraw/zinc/54/21/33/1076542133.db2.gz XHPCIJZHGLBUOX-UHFFFAOYSA-N 1 0 379.479 -1.008 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)CC1 ZINC001655318861 1076542490 /nfs/dbraw/zinc/54/24/90/1076542490.db2.gz OGTGTGONKUUPNY-UHFFFAOYSA-N 1 0 383.536 -1.517 20 0 GAADRO O=C(CC[N@H+]1CCN2CCOC[C@@]2(CO)C1)N1CCN(c2ncccn2)CC1 ZINC001655716936 1076543441 /nfs/dbraw/zinc/54/34/41/1076543441.db2.gz SKYRBFLEDRNEFQ-IBGZPJMESA-N 1 0 390.488 -1.106 20 0 GAADRO O=C(CC[N@H+]1CCN2CCOC[C@]2(CO)C1)N1CCN(c2ncccn2)CC1 ZINC001655716937 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CCOC(=O)N1C[C@H](CO)[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC001657317343 1076547255 /nfs/dbraw/zinc/54/72/55/1076547255.db2.gz DQABWMFQUSVWDM-HUUCEWRRSA-N 1 0 392.522 -1.008 20 0 GAADRO CCOC(=O)N1C[C@@H](CO)[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC001657317344 1076547273 /nfs/dbraw/zinc/54/72/73/1076547273.db2.gz DQABWMFQUSVWDM-LSDHHAIUSA-N 1 0 392.522 -1.008 20 0 GAADRO COC(=O)[C@@H](CC1OCCO1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001657501248 1076547549 /nfs/dbraw/zinc/54/75/49/1076547549.db2.gz WMMBCONHIQTBFB-CYBMUJFWSA-N 1 0 379.479 -1.152 20 0 GAADRO COC(=O)[C@H](CC1OCCO1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001657501249 1076547565 /nfs/dbraw/zinc/54/75/65/1076547565.db2.gz WMMBCONHIQTBFB-ZDUSSCGKSA-N 1 0 379.479 -1.152 20 0 GAADRO O=S1(=O)C[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@H](N2CCOCC2)C1 ZINC001657735071 1076547841 /nfs/dbraw/zinc/54/78/41/1076547841.db2.gz BRANLNVMOOWDKP-CHWSQXEVSA-N 1 0 382.504 -1.987 20 0 GAADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC001657735072 1076547819 /nfs/dbraw/zinc/54/78/19/1076547819.db2.gz BRANLNVMOOWDKP-OLZOCXBDSA-N 1 0 382.504 -1.987 20 0 GAADRO O=S1(=O)C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@H](N2CCOCC2)C1 ZINC001657735073 1076547789 /nfs/dbraw/zinc/54/77/89/1076547789.db2.gz BRANLNVMOOWDKP-QWHCGFSZSA-N 1 0 382.504 -1.987 20 0 GAADRO O=S1(=O)C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@@H](N2CCOCC2)C1 ZINC001657735074 1076547905 /nfs/dbraw/zinc/54/79/05/1076547905.db2.gz BRANLNVMOOWDKP-STQMWFEESA-N 1 0 382.504 -1.987 20 0 GAADRO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)NC1CC[NH+](C)CC1 ZINC001659615543 1076549085 /nfs/dbraw/zinc/54/90/85/1076549085.db2.gz OMYYYCUJNUVGOA-STQMWFEESA-N 1 0 381.433 -1.636 20 0 GAADRO NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001660035239 1076549640 /nfs/dbraw/zinc/54/96/40/1076549640.db2.gz HVWASDLFYMYJAU-UHFFFAOYSA-N 1 0 396.535 -1.375 20 0 GAADRO C[NH+]1CCN(CCCCNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001660676575 1076550441 /nfs/dbraw/zinc/55/04/41/1076550441.db2.gz NQDJZQRPHIEWLK-UHFFFAOYSA-N 1 0 382.552 -1.175 20 0 GAADRO CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001660732941 1076550545 /nfs/dbraw/zinc/55/05/45/1076550545.db2.gz PNYNQFUXBOKDLB-UHFFFAOYSA-N 1 0 398.551 -1.403 20 0 GAADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1COC[C@H]1O ZINC001660945204 1076550974 /nfs/dbraw/zinc/55/09/74/1076550974.db2.gz UOFNZDANARYGRE-ARFHVFGLSA-N 1 0 385.486 -1.045 20 0 GAADRO O=C(C[NH2+][C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1)N1CCNC(=O)C1 ZINC001661148046 1076551254 /nfs/dbraw/zinc/55/12/54/1076551254.db2.gz UTBMQNZXJPJWIU-ITCTVVDESA-N 1 0 376.457 -1.147 20 0 GAADRO O=C(C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1)N1CCNC(=O)C1 ZINC001661148047 1076551304 /nfs/dbraw/zinc/55/13/04/1076551304.db2.gz UTBMQNZXJPJWIU-SCQTYWGTSA-N 1 0 376.457 -1.147 20 0 GAADRO Cn1cc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=O)[nH]c1=O ZINC001661351993 1076551859 /nfs/dbraw/zinc/55/18/59/1076551859.db2.gz OWQXLBOTZLIHJO-UHFFFAOYSA-N 1 0 385.446 -1.585 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CCCCS(N)(=O)=O)CC1 ZINC001661405379 1076552095 /nfs/dbraw/zinc/55/20/95/1076552095.db2.gz SWPGISGCMFDHPJ-UHFFFAOYSA-N 1 0 398.551 -1.129 20 0 GAADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001661677158 1076552402 /nfs/dbraw/zinc/55/24/02/1076552402.db2.gz GKLZVZRGZMAJEU-UHFFFAOYSA-N 1 0 383.536 -1.014 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CC1 ZINC001661778787 1076552461 /nfs/dbraw/zinc/55/24/61/1076552461.db2.gz MLDJHFKESSNGTQ-BBRMVZONSA-N 1 0 387.506 -1.078 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CC1 ZINC001661778788 1076552355 /nfs/dbraw/zinc/55/23/55/1076552355.db2.gz MLDJHFKESSNGTQ-CJNGLKHVSA-N 1 0 387.506 -1.078 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CC1 ZINC001661778789 1076552368 /nfs/dbraw/zinc/55/23/68/1076552368.db2.gz MLDJHFKESSNGTQ-CZUORRHYSA-N 1 0 387.506 -1.078 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CC1 ZINC001661778790 1076552486 /nfs/dbraw/zinc/55/24/86/1076552486.db2.gz MLDJHFKESSNGTQ-XJKSGUPXSA-N 1 0 387.506 -1.078 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CCn2nc(C)oc2=O)CC1 ZINC001662013650 1076553095 /nfs/dbraw/zinc/55/30/95/1076553095.db2.gz GNKPRFQKVIOGSZ-UHFFFAOYSA-N 1 0 389.478 -1.039 20 0 GAADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001662014855 1076552939 /nfs/dbraw/zinc/55/29/39/1076552939.db2.gz XBBUFGBQUUZDOP-UHFFFAOYSA-N 1 0 387.462 -1.339 20 0 GAADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001662900956 1076554634 /nfs/dbraw/zinc/55/46/34/1076554634.db2.gz BARFRUMVNOSNDV-CYBMUJFWSA-N 1 0 382.552 -1.177 20 0 GAADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC001662900967 1076554622 /nfs/dbraw/zinc/55/46/22/1076554622.db2.gz BARFRUMVNOSNDV-ZDUSSCGKSA-N 1 0 382.552 -1.177 20 0 GAADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001663076131 1076554911 /nfs/dbraw/zinc/55/49/11/1076554911.db2.gz WAQLOIQHELSKMY-KBPBESRZSA-N 1 0 392.522 -1.000 20 0 GAADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001663076132 1076554866 /nfs/dbraw/zinc/55/48/66/1076554866.db2.gz WAQLOIQHELSKMY-KGLIPLIRSA-N 1 0 392.522 -1.000 20 0 GAADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001663076133 1076554976 /nfs/dbraw/zinc/55/49/76/1076554976.db2.gz WAQLOIQHELSKMY-UONOGXRCSA-N 1 0 392.522 -1.000 20 0 GAADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001663076134 1076555228 /nfs/dbraw/zinc/55/52/28/1076555228.db2.gz WAQLOIQHELSKMY-ZIAGYGMSSA-N 1 0 392.522 -1.000 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC001663125160 1076555207 /nfs/dbraw/zinc/55/52/07/1076555207.db2.gz WBXBRZGGWFIWRU-AWEZNQCLSA-N 1 0 397.567 -1.541 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC001663125161 1076555197 /nfs/dbraw/zinc/55/51/97/1076555197.db2.gz WBXBRZGGWFIWRU-CQSZACIVSA-N 1 0 397.567 -1.541 20 0 GAADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCNS(=O)(=O)N(C)C ZINC001663238239 1076555417 /nfs/dbraw/zinc/55/54/17/1076555417.db2.gz KWDYJZPFJJNXQD-UHFFFAOYSA-N 1 0 396.539 -1.264 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H]2CNS(N)(=O)=O)CC1 ZINC001663337234 1076555485 /nfs/dbraw/zinc/55/54/85/1076555485.db2.gz VJJNVDADAUUVEL-AWEZNQCLSA-N 1 0 397.567 -1.399 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)CC1 ZINC001663337235 1076555878 /nfs/dbraw/zinc/55/58/78/1076555878.db2.gz VJJNVDADAUUVEL-CQSZACIVSA-N 1 0 397.567 -1.399 20 0 GAADRO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1S(=O)(=O)CCC[NH+](C)C ZINC001663368881 1076555807 /nfs/dbraw/zinc/55/58/07/1076555807.db2.gz XSYCXKLCBZWHNS-QWRGUYRKSA-N 1 0 376.435 -1.564 20 0 GAADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCN(C)CC1 ZINC001663617551 1076556058 /nfs/dbraw/zinc/55/60/58/1076556058.db2.gz JNHTVLDRXDCJCB-UHFFFAOYSA-N 1 0 377.511 -1.799 20 0 GAADRO CNS(=O)(=O)NC1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001663628129 1076556046 /nfs/dbraw/zinc/55/60/46/1076556046.db2.gz SPAPUGNRPOAHGV-UHFFFAOYSA-N 1 0 397.567 -1.528 20 0 GAADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)N2CCN(C)CC2)CC1=O ZINC001663687160 1076556454 /nfs/dbraw/zinc/55/64/54/1076556454.db2.gz FAZPSPHDDSZIJD-AWEZNQCLSA-N 1 0 377.511 -1.753 20 0 GAADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)N2CCN(C)CC2)CC1=O ZINC001663687161 1076556403 /nfs/dbraw/zinc/55/64/03/1076556403.db2.gz FAZPSPHDDSZIJD-CQSZACIVSA-N 1 0 377.511 -1.753 20 0 GAADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001664497308 1076559660 /nfs/dbraw/zinc/55/96/60/1076559660.db2.gz ATMHADINWFAUFL-UHFFFAOYSA-N 1 0 387.506 -1.222 20 0 GAADRO C[NH+]1CCN(CC2CN(S(=O)(=O)C[C@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001664544628 1076560016 /nfs/dbraw/zinc/56/00/16/1076560016.db2.gz VVJYXAXOPGNLSI-AWEZNQCLSA-N 1 0 394.563 -1.223 20 0 GAADRO C[NH+]1CCN(CC2CN(S(=O)(=O)C[C@@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001664544629 1076560030 /nfs/dbraw/zinc/56/00/30/1076560030.db2.gz VVJYXAXOPGNLSI-CQSZACIVSA-N 1 0 394.563 -1.223 20 0 GAADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001665012087 1076561210 /nfs/dbraw/zinc/56/12/10/1076561210.db2.gz UDPUQGFYPGGSCP-CYBMUJFWSA-N 1 0 384.524 -1.803 20 0 GAADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001665012088 1076561150 /nfs/dbraw/zinc/56/11/50/1076561150.db2.gz UDPUQGFYPGGSCP-ZDUSSCGKSA-N 1 0 384.524 -1.803 20 0 GAADRO C[NH+]1CCN(CC2CN(S(=O)(=O)CC3CN(S(C)(=O)=O)C3)C2)CC1 ZINC001665119514 1076561500 /nfs/dbraw/zinc/56/15/00/1076561500.db2.gz ZMYWRPIUMSUXRA-UHFFFAOYSA-N 1 0 380.536 -1.613 20 0 GAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)CC1 ZINC001665640807 1076562638 /nfs/dbraw/zinc/56/26/38/1076562638.db2.gz PXHMIEYROCWBLQ-UHFFFAOYSA-N 1 0 375.476 -1.156 20 0 GAADRO C[NH+](C)CC1(O)CCN(S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001665661817 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376.523 -1.667 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001667705738 1076566536 /nfs/dbraw/zinc/56/65/36/1076566536.db2.gz KZGQRBFFWPBOHL-AWEZNQCLSA-N 1 0 378.495 -1.206 20 0 GAADRO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001667705739 1076566443 /nfs/dbraw/zinc/56/64/43/1076566443.db2.gz KZGQRBFFWPBOHL-CQSZACIVSA-N 1 0 378.495 -1.206 20 0 GAADRO Cc1nn(CCS(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)o1 ZINC001667836243 1076566402 /nfs/dbraw/zinc/56/64/02/1076566402.db2.gz RZSRFYWUARTJAS-UHFFFAOYSA-N 1 0 389.478 -1.136 20 0 GAADRO CN(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)S(C)(=O)=O ZINC001667864965 1076566430 /nfs/dbraw/zinc/56/64/30/1076566430.db2.gz IWVGUBGPALRLJH-RFQIPJPRSA-N 1 0 379.479 -2.004 20 0 GAADRO CN(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)S(C)(=O)=O ZINC001667864966 1076566492 /nfs/dbraw/zinc/56/64/92/1076566492.db2.gz IWVGUBGPALRLJH-XDQVBPFNSA-N 1 0 379.479 -2.004 20 0 GAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1nnc2n1CCNC2=O ZINC001667976378 1076566725 /nfs/dbraw/zinc/56/67/25/1076566725.db2.gz BZFQMTFQXRNFEX-GFCCVEGCSA-N 1 0 392.464 -1.237 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1nnc2n1CCNC2=O ZINC001667976379 1076566735 /nfs/dbraw/zinc/56/67/35/1076566735.db2.gz BZFQMTFQXRNFEX-LBPRGKRZSA-N 1 0 392.464 -1.237 20 0 GAADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001667978666 1076566763 /nfs/dbraw/zinc/56/67/63/1076566763.db2.gz ZDKOHHCZEOFEQH-CYBMUJFWSA-N 1 0 382.465 -1.732 20 0 GAADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001667978667 1076566751 /nfs/dbraw/zinc/56/67/51/1076566751.db2.gz ZDKOHHCZEOFEQH-ZDUSSCGKSA-N 1 0 382.465 -1.732 20 0 GAADRO Cc1nn(CCS(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(=O)o1 ZINC001668172951 1076567062 /nfs/dbraw/zinc/56/70/62/1076567062.db2.gz XSWATJJQKHCLPV-CYBMUJFWSA-N 1 0 387.462 -1.287 20 0 GAADRO Cc1nn(CCS(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(=O)o1 ZINC001668172952 1076567034 /nfs/dbraw/zinc/56/70/34/1076567034.db2.gz XSWATJJQKHCLPV-ZDUSSCGKSA-N 1 0 387.462 -1.287 20 0 GAADRO CN(C)C(=O)Cn1cnc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)n1 ZINC001668531950 1076567318 /nfs/dbraw/zinc/56/73/18/1076567318.db2.gz GXEMYCYPXBJNKM-BLLLJJGKSA-N 1 0 381.437 -1.287 20 0 GAADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001668541577 1076567261 /nfs/dbraw/zinc/56/72/61/1076567261.db2.gz RRKXIXPMOZONLG-GFCCVEGCSA-N 1 0 383.540 -1.021 20 0 GAADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001668541578 1076567239 /nfs/dbraw/zinc/56/72/39/1076567239.db2.gz RRKXIXPMOZONLG-LBPRGKRZSA-N 1 0 383.540 -1.021 20 0 GAADRO O=C(NCc1nnc2n1CCNC2=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001668779527 1076567505 /nfs/dbraw/zinc/56/75/05/1076567505.db2.gz XKVYHFJNNOYXOR-CYBMUJFWSA-N 1 0 392.464 -1.773 20 0 GAADRO O=C(NCc1nnc2n1CCNC2=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001668779531 1076567619 /nfs/dbraw/zinc/56/76/19/1076567619.db2.gz XKVYHFJNNOYXOR-ZDUSSCGKSA-N 1 0 392.464 -1.773 20 0 GAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001669127715 1076567941 /nfs/dbraw/zinc/56/79/41/1076567941.db2.gz MGSYYDVZTGKXND-CHWSQXEVSA-N 1 0 388.494 -1.882 20 0 GAADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001669127734 1076567967 /nfs/dbraw/zinc/56/79/67/1076567967.db2.gz MGSYYDVZTGKXND-OLZOCXBDSA-N 1 0 388.494 -1.882 20 0 GAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001669127735 1076567971 /nfs/dbraw/zinc/56/79/71/1076567971.db2.gz MGSYYDVZTGKXND-QWHCGFSZSA-N 1 0 388.494 -1.882 20 0 GAADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001669127736 1076567977 /nfs/dbraw/zinc/56/79/77/1076567977.db2.gz MGSYYDVZTGKXND-STQMWFEESA-N 1 0 388.494 -1.882 20 0 GAADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3nnc4n3CCNC4=O)C2)CC1 ZINC001669165230 1076567907 /nfs/dbraw/zinc/56/79/07/1076567907.db2.gz GWEMBOPHNVRYIR-GFCCVEGCSA-N 1 0 376.465 -1.011 20 0 GAADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3nnc4n3CCNC4=O)C2)CC1 ZINC001669165231 1076567992 /nfs/dbraw/zinc/56/79/92/1076567992.db2.gz GWEMBOPHNVRYIR-LBPRGKRZSA-N 1 0 376.465 -1.011 20 0 GAADRO C[NH+](C)CCCS(=O)(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001669216753 1076568328 /nfs/dbraw/zinc/56/83/28/1076568328.db2.gz ICSHMGTYHOEVRL-UHFFFAOYSA-N 1 0 390.553 -1.142 20 0 GAADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001669361826 1076568539 /nfs/dbraw/zinc/56/85/39/1076568539.db2.gz GUQXGHMHTRUADO-HNNXBMFYSA-N 1 0 396.492 -1.294 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CC1 ZINC001670398282 1073468303 /nfs/dbraw/zinc/46/83/03/1073468303.db2.gz NEOKLZKCBFYXPE-UHFFFAOYSA-N 1 0 399.521 -1.019 20 0 GAADRO NS(=O)(=O)CCOCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001670486724 1073511506 /nfs/dbraw/zinc/51/15/06/1073511506.db2.gz UPBDABOLVYWSON-KBPBESRZSA-N 1 0 378.495 -1.032 20 0 GAADRO NS(=O)(=O)CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001670486725 1073511474 /nfs/dbraw/zinc/51/14/74/1073511474.db2.gz UPBDABOLVYWSON-KGLIPLIRSA-N 1 0 378.495 -1.032 20 0 GAADRO NS(=O)(=O)CCOCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001670486726 1073511487 /nfs/dbraw/zinc/51/14/87/1073511487.db2.gz UPBDABOLVYWSON-UONOGXRCSA-N 1 0 378.495 -1.032 20 0 GAADRO NS(=O)(=O)CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001670486727 1073511524 /nfs/dbraw/zinc/51/15/24/1073511524.db2.gz UPBDABOLVYWSON-ZIAGYGMSSA-N 1 0 378.495 -1.032 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C(=O)NCCO)CC2)CC1 ZINC001670674410 1073534675 /nfs/dbraw/zinc/53/46/75/1073534675.db2.gz BBMMMHCBEGIHFD-UHFFFAOYSA-N 1 0 376.523 -1.226 20 0 GAADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001670760236 1073736726 /nfs/dbraw/zinc/73/67/26/1073736726.db2.gz VRGLIBLPPKMOAO-STQMWFEESA-N 1 0 378.495 -1.391 20 0 GAADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)CC1 ZINC001670816828 1074218204 /nfs/dbraw/zinc/21/82/04/1074218204.db2.gz WSVCHZPPGIOTBU-UHFFFAOYSA-N 1 0 383.540 -1.789 20 0 GAADRO CN(Cc1nnc2c(=O)[nH]ccn12)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001671236922 1076529098 /nfs/dbraw/zinc/52/90/98/1076529098.db2.gz IRHRWEFWZMFKAA-UHFFFAOYSA-N 1 0 383.478 -1.183 20 0 GAADRO COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001671975173 1076570896 /nfs/dbraw/zinc/57/08/96/1076570896.db2.gz DGDYLHXMNBQMIL-CYBMUJFWSA-N 1 0 397.519 -1.774 20 0 GAADRO COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001671975174 1076570875 /nfs/dbraw/zinc/57/08/75/1076570875.db2.gz DGDYLHXMNBQMIL-ZDUSSCGKSA-N 1 0 397.519 -1.774 20 0 GAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001672020280 1076570957 /nfs/dbraw/zinc/57/09/57/1076570957.db2.gz AAUXSVRACXYKGA-KBPBESRZSA-N 1 0 396.535 -1.661 20 0 GAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001672020281 1076570971 /nfs/dbraw/zinc/57/09/71/1076570971.db2.gz AAUXSVRACXYKGA-KGLIPLIRSA-N 1 0 396.535 -1.661 20 0 GAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001672020282 1076570852 /nfs/dbraw/zinc/57/08/52/1076570852.db2.gz AAUXSVRACXYKGA-UONOGXRCSA-N 1 0 396.535 -1.661 20 0 GAADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001672020283 1076570908 /nfs/dbraw/zinc/57/09/08/1076570908.db2.gz AAUXSVRACXYKGA-ZIAGYGMSSA-N 1 0 396.535 -1.661 20 0 GAADRO C[NH+]1CCC(CNC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)(N2CCOCC2)CC1 ZINC001673626062 1076571708 /nfs/dbraw/zinc/57/17/08/1076571708.db2.gz TZZSOTPNVYALCE-OKILXGFUSA-N 1 0 379.461 -1.303 20 0 GAADRO CS(=O)(=O)NCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001674088371 1076572100 /nfs/dbraw/zinc/57/21/00/1076572100.db2.gz SJFCLPLTIKJGOF-SEBNEYGDSA-N 1 0 387.502 -1.098 20 0 GAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001674396143 1076572442 /nfs/dbraw/zinc/57/24/42/1076572442.db2.gz WSVQDQCYMKNYCX-KBPBESRZSA-N 1 0 381.477 -1.001 20 0 GAADRO 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ZINC001675542152 1076573694 /nfs/dbraw/zinc/57/36/94/1076573694.db2.gz RKJHHNYZNHELNL-CABCVRRESA-N 1 0 389.522 -1.145 20 0 GAADRO NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001675542153 1076573676 /nfs/dbraw/zinc/57/36/76/1076573676.db2.gz RKJHHNYZNHELNL-GJZGRUSLSA-N 1 0 389.522 -1.145 20 0 GAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001675542154 1076573935 /nfs/dbraw/zinc/57/39/35/1076573935.db2.gz RKJHHNYZNHELNL-HUUCEWRRSA-N 1 0 389.522 -1.145 20 0 GAADRO NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001675542155 1076573859 /nfs/dbraw/zinc/57/38/59/1076573859.db2.gz RKJHHNYZNHELNL-LSDHHAIUSA-N 1 0 389.522 -1.145 20 0 GAADRO CN(CCS(N)(=O)=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001675542538 1076573908 /nfs/dbraw/zinc/57/39/08/1076573908.db2.gz XRUNRBPDMRTOER-AWEZNQCLSA-N 1 0 377.511 -1.287 20 0 GAADRO CN(CCS(N)(=O)=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001675542539 1076573826 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NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001683841237 1076590683 /nfs/dbraw/zinc/59/06/83/1076590683.db2.gz PCLUVZQLTUOOQS-SUMWQHHRSA-N 1 0 383.449 -1.747 20 0 GAADRO Cn1ccn2c(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)nnc2c1=O ZINC001683841543 1076590831 /nfs/dbraw/zinc/59/08/31/1076590831.db2.gz UCRGHSIQEKBQKI-NSHDSACASA-N 1 0 376.421 -1.433 20 0 GAADRO CN(C)S(=O)(=O)N1CC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001683996194 1076591150 /nfs/dbraw/zinc/59/11/50/1076591150.db2.gz JZLGVDRBPYZDMX-LBPRGKRZSA-N 1 0 376.483 -1.884 20 0 GAADRO NS(=O)(=O)C1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001684305840 1076591981 /nfs/dbraw/zinc/59/19/81/1076591981.db2.gz QNBOUSXZDBBMQM-CYBMUJFWSA-N 1 0 375.495 -1.487 20 0 GAADRO NS(=O)(=O)C1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001684305841 1076592036 /nfs/dbraw/zinc/59/20/36/1076592036.db2.gz QNBOUSXZDBBMQM-ZDUSSCGKSA-N 1 0 375.495 -1.487 20 0 GAADRO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001684422772 1076592316 /nfs/dbraw/zinc/59/23/16/1076592316.db2.gz WPFHIDLIZSRGDV-XJFOESAGSA-N 1 0 389.522 -1.219 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)NC[C@]23COCCN2C(=O)COC3)CC[N@H+](C)C1 ZINC001684632587 1076593211 /nfs/dbraw/zinc/59/32/11/1076593211.db2.gz BZVFFXBCFBFKDC-CXAGYDPISA-N 1 0 384.433 -1.640 20 0 GAADRO COC(=O)[C@H]1CN(C(=O)NC[C@@]23COCCN2C(=O)COC3)CC[N@H+](C)C1 ZINC001684632588 1076593261 /nfs/dbraw/zinc/59/32/61/1076593261.db2.gz BZVFFXBCFBFKDC-DYVFJYSZSA-N 1 0 384.433 -1.640 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)NC[C@@]23COCCN2C(=O)COC3)CC[N@H+](C)C1 ZINC001684632589 1076593244 /nfs/dbraw/zinc/59/32/44/1076593244.db2.gz BZVFFXBCFBFKDC-GUYCJALGSA-N 1 0 384.433 -1.640 20 0 GAADRO COC(=O)[C@@H]1CN(C(=O)NC[C@]23COCCN2C(=O)COC3)CC[N@H+](C)C1 ZINC001684632590 1076593229 /nfs/dbraw/zinc/59/32/29/1076593229.db2.gz BZVFFXBCFBFKDC-SUMWQHHRSA-N 1 0 384.433 -1.640 20 0 GAADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001684661434 1076593506 /nfs/dbraw/zinc/59/35/06/1076593506.db2.gz RLXUFUFIFBUWSQ-LXTVHRRPSA-N 1 0 384.477 -1.049 20 0 GAADRO NC(=O)CN1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC001684835804 1076594896 /nfs/dbraw/zinc/59/48/96/1076594896.db2.gz AAIMEHKXIUCIRP-HNNXBMFYSA-N 1 0 396.492 -1.878 20 0 GAADRO NC(=O)CN1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC001684835809 1076594871 /nfs/dbraw/zinc/59/48/71/1076594871.db2.gz AAIMEHKXIUCIRP-OAHLLOKOSA-N 1 0 396.492 -1.878 20 0 GAADRO O=C(NC[C@H](O)Cn1ccnn1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684836265 1076594758 /nfs/dbraw/zinc/59/47/58/1076594758.db2.gz JGTZLYBIABNTMV-CVEARBPZSA-N 1 0 381.481 -1.265 20 0 GAADRO O=C(NC[C@H](O)Cn1ccnn1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684836308 1076594774 /nfs/dbraw/zinc/59/47/74/1076594774.db2.gz JGTZLYBIABNTMV-HOTGVXAUSA-N 1 0 381.481 -1.265 20 0 GAADRO O=C(NC[C@@H](O)Cn1ccnn1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684836309 1076594732 /nfs/dbraw/zinc/59/47/32/1076594732.db2.gz JGTZLYBIABNTMV-HZPDHXFCSA-N 1 0 381.481 -1.265 20 0 GAADRO O=C(NC[C@@H](O)Cn1ccnn1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684836310 1076594848 /nfs/dbraw/zinc/59/48/48/1076594848.db2.gz JGTZLYBIABNTMV-JKSUJKDBSA-N 1 0 381.481 -1.265 20 0 GAADRO Cn1ccn2c(CNC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)nnc2c1=O ZINC001684955624 1076595227 /nfs/dbraw/zinc/59/52/27/1076595227.db2.gz MGQXUVRPFWNPOS-UHFFFAOYSA-N 1 0 376.421 -1.657 20 0 GAADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001684991794 1076595597 /nfs/dbraw/zinc/59/55/97/1076595597.db2.gz QUAMPRFPRULLCR-GFCCVEGCSA-N 1 0 390.448 -1.531 20 0 GAADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001684991795 1076595486 /nfs/dbraw/zinc/59/54/86/1076595486.db2.gz QUAMPRFPRULLCR-LBPRGKRZSA-N 1 0 390.448 -1.531 20 0 GAADRO C[NH+](C)CCN1CCN(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1=O ZINC001685271982 1076596116 /nfs/dbraw/zinc/59/61/16/1076596116.db2.gz BTLFLSTXEKFXOP-UHFFFAOYSA-N 1 0 397.523 -1.541 20 0 GAADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@H]2C)CC[N@@H+]1C ZINC001685323157 1076596565 /nfs/dbraw/zinc/59/65/65/1076596565.db2.gz DGCKVINZXWECSU-ZOBORPQBSA-N 1 0 389.522 -1.124 20 0 GAADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001685327303 1076596471 /nfs/dbraw/zinc/59/64/71/1076596471.db2.gz ALSHFNTXXMHNGG-UHFFFAOYSA-N 1 0 392.464 -1.368 20 0 GAADRO CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C2)[NH+](C)C ZINC001686004310 1076598913 /nfs/dbraw/zinc/59/89/13/1076598913.db2.gz LFRRYEUWPABXPG-FQKPHLNHSA-N 1 0 381.477 -1.045 20 0 GAADRO CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C2 ZINC001686004747 1076599006 /nfs/dbraw/zinc/59/90/06/1076599006.db2.gz ZPFNVKPLCPXJLA-QPSCCSFWSA-N 1 0 381.477 -1.044 20 0 GAADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001686046842 1076599510 /nfs/dbraw/zinc/59/95/10/1076599510.db2.gz GHQFVPVEEUWMPZ-CRWXNKLISA-N 1 0 380.445 -1.135 20 0 GAADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001686046843 1076599406 /nfs/dbraw/zinc/59/94/06/1076599406.db2.gz GHQFVPVEEUWMPZ-MQYQWHSLSA-N 1 0 380.445 -1.135 20 0 GAADRO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)NC)C2)[NH+](C)C ZINC001686059126 1076599779 /nfs/dbraw/zinc/59/97/79/1076599779.db2.gz VHXCTEQZJUKFBS-VOAKCMCISA-N 1 0 375.495 -1.372 20 0 GAADRO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CNC(C)=O)[NH+](C)C ZINC001686101016 1076600145 /nfs/dbraw/zinc/60/01/45/1076600145.db2.gz GZXGVWVDAKPTBO-QPSCCSFWSA-N 1 0 381.477 -1.173 20 0 GAADRO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+](C)C)c(=O)n(C)c1=O ZINC001686104160 1076600157 /nfs/dbraw/zinc/60/01/57/1076600157.db2.gz ASTMCKHSTWCFTK-XBFCOCLRSA-N 1 0 377.445 -1.103 20 0 GAADRO C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001686185637 1076601368 /nfs/dbraw/zinc/60/13/68/1076601368.db2.gz PMCXBNGANCRZRH-BZPMIXESSA-N 1 0 377.449 -1.033 20 0 GAADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001686194791 1076601316 /nfs/dbraw/zinc/60/13/16/1076601316.db2.gz VOURRGLZBJUBAJ-NDBYEHHHSA-N 1 0 381.433 -1.589 20 0 GAADRO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNS(=O)(=O)NC)[NH+](C)C ZINC001686214564 1076601698 /nfs/dbraw/zinc/60/16/98/1076601698.db2.gz HLBDTWYUUKBWTM-NDBYEHHHSA-N 1 0 375.495 -1.372 20 0 GAADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001686227206 1076602199 /nfs/dbraw/zinc/60/21/99/1076602199.db2.gz XQFWUAPZZRIPMW-KFWWJZLASA-N 1 0 381.477 -1.756 20 0 GAADRO CC(=O)NCC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001686242528 1076602291 /nfs/dbraw/zinc/60/22/91/1076602291.db2.gz NIYRFYBMTLUFGG-KFWWJZLASA-N 1 0 381.477 -1.171 20 0 GAADRO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNS(=O)(=O)NC ZINC001686254614 1076602771 /nfs/dbraw/zinc/60/27/71/1076602771.db2.gz ITNWGYFFGOHBBQ-UPJWGTAASA-N 1 0 375.495 -1.370 20 0 GAADRO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnc(C(N)=O)n1 ZINC001686254730 1076602667 /nfs/dbraw/zinc/60/26/67/1076602667.db2.gz NNQYRBNQRVUYTN-UPJWGTAASA-N 1 0 377.449 -1.033 20 0 GAADRO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CNC(C)=O)[NH+](C)C ZINC001686259256 1076602793 /nfs/dbraw/zinc/60/27/93/1076602793.db2.gz GZXGVWVDAKPTBO-KBXIAJHMSA-N 1 0 381.477 -1.173 20 0 GAADRO C[NH+]1CCC(CNC(=O)N2CC3(C2)NC(=O)NC3=O)(N2CCOCC2)CC1 ZINC001686784099 1076603578 /nfs/dbraw/zinc/60/35/78/1076603578.db2.gz GYYUGEWWVBJAMJ-UHFFFAOYSA-N 1 0 380.449 -1.614 20 0 GAADRO C[NH+]1CCC(CNC(=O)NCC2(S(N)(=O)=O)CC2)(N2CCOCC2)CC1 ZINC001686784445 1076603475 /nfs/dbraw/zinc/60/34/75/1076603475.db2.gz NLSBIVXBYGTLLA-UHFFFAOYSA-N 1 0 389.522 -1.097 20 0 GAADRO C[NH+]1CCC(CNC(=O)N2CC(S(N)(=O)=O)C2)(N2CCOCC2)CC1 ZINC001686784888 1076603631 /nfs/dbraw/zinc/60/36/31/1076603631.db2.gz XMLJNMPOWTYKNV-UHFFFAOYSA-N 1 0 375.495 -1.535 20 0 GAADRO CN(CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001687034994 1076604393 /nfs/dbraw/zinc/60/43/93/1076604393.db2.gz XJSVGIKBEDYAOC-DZGCQCFKSA-N 1 0 378.495 -1.207 20 0 GAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001687045233 1076604406 /nfs/dbraw/zinc/60/44/06/1076604406.db2.gz JGWJEHBOSQMINQ-BBRMVZONSA-N 1 0 388.490 -1.075 20 0 GAADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001687045234 1076604329 /nfs/dbraw/zinc/60/43/29/1076604329.db2.gz JGWJEHBOSQMINQ-XJKSGUPXSA-N 1 0 388.490 -1.075 20 0 GAADRO COC(OC)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001687045701 1076604288 /nfs/dbraw/zinc/60/42/88/1076604288.db2.gz UKNBIQHEONIIJT-ZDUSSCGKSA-N 1 0 385.465 -1.201 20 0 GAADRO CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001687213028 1073545830 /nfs/dbraw/zinc/54/58/30/1073545830.db2.gz SSONKHAKNMOYIZ-DZGCQCFKSA-N 1 0 391.494 -1.998 20 0 GAADRO CNS(=O)(=O)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001687274574 1073555499 /nfs/dbraw/zinc/55/54/99/1073555499.db2.gz OEIJCZGJYYWFBG-UHFFFAOYSA-N 1 0 375.495 -1.125 20 0 GAADRO CNS(=O)(=O)CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001687275508 1073555862 /nfs/dbraw/zinc/55/58/62/1073555862.db2.gz ZTMHLDRWKZOZGH-CYBMUJFWSA-N 1 0 375.495 -1.126 20 0 GAADRO CNS(=O)(=O)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001687275509 1073555585 /nfs/dbraw/zinc/55/55/85/1073555585.db2.gz ZTMHLDRWKZOZGH-ZDUSSCGKSA-N 1 0 375.495 -1.126 20 0 GAADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001687629917 1076604278 /nfs/dbraw/zinc/60/42/78/1076604278.db2.gz KAKRCLFLHPBKPQ-GFCCVEGCSA-N 1 0 390.448 -1.268 20 0 GAADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001687629918 1076604874 /nfs/dbraw/zinc/60/48/74/1076604874.db2.gz KAKRCLFLHPBKPQ-LBPRGKRZSA-N 1 0 390.448 -1.268 20 0 GAADRO CCn1cc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c(=O)[nH]c1=O ZINC001687882880 1076605668 /nfs/dbraw/zinc/60/56/68/1076605668.db2.gz UMNHBPDXIDHBEH-SUMWQHHRSA-N 1 0 381.433 -1.006 20 0 GAADRO CN(CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)S(C)(=O)=O ZINC001689003123 1076606402 /nfs/dbraw/zinc/60/64/02/1076606402.db2.gz OFXVGLABWWWQQB-RFQIPJPRSA-N 1 0 390.506 -1.215 20 0 GAADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cnn(C)c1 ZINC001689033855 1076606463 /nfs/dbraw/zinc/60/64/63/1076606463.db2.gz AWQLEMPYUXUDAC-RFQIPJPRSA-N 1 0 378.433 -1.917 20 0 GAADRO CCO[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001689069812 1076606435 /nfs/dbraw/zinc/60/64/35/1076606435.db2.gz SQDYOFBSEOMNHK-WZYWGQKZSA-N 1 0 398.460 -1.314 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2[NH2+]CC(=O)NC(N)=O)cn1 ZINC001691280268 1073576818 /nfs/dbraw/zinc/57/68/18/1073576818.db2.gz SIBCOZAFAWLDPP-JRATXPSKSA-N 1 0 376.417 -1.465 20 0 GAADRO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cnn(C)c1 ZINC001691283732 1073577108 /nfs/dbraw/zinc/57/71/08/1073577108.db2.gz MFJDNLKGLLXBHE-CBBWQLFWSA-N 1 0 376.461 -1.096 20 0 GAADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001691330463 1073579361 /nfs/dbraw/zinc/57/93/61/1073579361.db2.gz STLIUGAAYKYUMJ-XJFOESAGSA-N 1 0 391.490 -1.483 20 0 GAADRO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001691370409 1073579795 /nfs/dbraw/zinc/57/97/95/1073579795.db2.gz PIUVFZWLTGYFNC-ZOBORPQBSA-N 1 0 390.506 -1.215 20 0 GAADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1c1cnn(C)c1 ZINC001691700503 1075420785 /nfs/dbraw/zinc/42/07/85/1075420785.db2.gz DHNZWGKQHSTFSM-FLTUCWPJSA-N 1 0 390.444 -1.204 20 0 GAADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cnn(C)c1 ZINC001691703473 1075421227 /nfs/dbraw/zinc/42/12/27/1075421227.db2.gz FQBLBFINODJCKF-CBBWQLFWSA-N 1 0 376.461 -1.048 20 0 GAADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2[NH2+]CC(=O)NCC2CC2)cn1 ZINC001691704037 1075421314 /nfs/dbraw/zinc/42/13/14/1075421314.db2.gz MQXOGJDRMWCTEU-FXUDXRNXSA-N 1 0 388.472 -1.048 20 0 GAADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001691722056 1075511664 /nfs/dbraw/zinc/51/16/64/1075511664.db2.gz CHSHXVRNHSTGRB-ZOBORPQBSA-N 1 0 390.506 -1.072 20 0 GAADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001691765864 1073641778 /nfs/dbraw/zinc/64/17/78/1073641778.db2.gz BFTUZLSBXFACRX-LXTVHRRPSA-N 1 0 380.449 -1.236 20 0 GAADRO CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001691765909 1073644605 /nfs/dbraw/zinc/64/46/05/1073644605.db2.gz DJDBNNUVIAFZRE-APIJFGDWSA-N 1 0 382.461 -1.580 20 0 GAADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001691766523 1073882506 /nfs/dbraw/zinc/88/25/06/1073882506.db2.gz WQIMAZLKDJJUOG-LXTVHRRPSA-N 1 0 384.477 -1.003 20 0 GAADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001692042279 1076608159 /nfs/dbraw/zinc/60/81/59/1076608159.db2.gz NEXMDFLJXRVPQC-LXTVHRRPSA-N 1 0 384.477 -1.049 20 0 GAADRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001692204088 1076608209 /nfs/dbraw/zinc/60/82/09/1076608209.db2.gz FPTATLXBKFHFNO-RFQIPJPRSA-N 1 0 390.506 -1.120 20 0 GAADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001692280703 1076608308 /nfs/dbraw/zinc/60/83/08/1076608308.db2.gz BESHZMUASNQQOW-MROQNXINSA-N 1 0 381.433 -1.745 20 0 GAADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693547095 1076609039 /nfs/dbraw/zinc/60/90/39/1076609039.db2.gz GYWKJYMKSUPFKC-FHSNZYRGSA-N 1 0 391.476 -1.037 20 0 GAADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693547096 1076609051 /nfs/dbraw/zinc/60/90/51/1076609051.db2.gz GYWKJYMKSUPFKC-SNUQEOBHSA-N 1 0 391.476 -1.037 20 0 GAADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693547097 1076609056 /nfs/dbraw/zinc/60/90/56/1076609056.db2.gz GYWKJYMKSUPFKC-VBHSOAQHSA-N 1 0 391.476 -1.037 20 0 GAADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693547098 1076609100 /nfs/dbraw/zinc/60/91/00/1076609100.db2.gz GYWKJYMKSUPFKC-VFVRVIDISA-N 1 0 391.476 -1.037 20 0 GAADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001694751985 1076609595 /nfs/dbraw/zinc/60/95/95/1076609595.db2.gz IJIGVCWXVYSVIG-PXAZEXFGSA-N 1 0 377.449 -1.946 20 0 GAADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001694751994 1076609564 /nfs/dbraw/zinc/60/95/64/1076609564.db2.gz IJIGVCWXVYSVIG-SJCJKPOMSA-N 1 0 377.449 -1.946 20 0 GAADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001694751998 1076609646 /nfs/dbraw/zinc/60/96/46/1076609646.db2.gz IJIGVCWXVYSVIG-SJKOYZFVSA-N 1 0 377.449 -1.946 20 0 GAADRO CCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001694752001 1076609619 /nfs/dbraw/zinc/60/96/19/1076609619.db2.gz IJIGVCWXVYSVIG-YVEFUNNKSA-N 1 0 377.449 -1.946 20 0 GAADRO