smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(=O)N(C)C ZINC000175682100 299132667 /nfs/dbraw/zinc/13/26/67/299132667.db2.gz MBPVACDHYGRVQX-FRRDWIJNSA-N 1 1 312.414 -0.175 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000103287228 138094434 /nfs/dbraw/zinc/09/44/34/138094434.db2.gz OBZWEBKSAAIAEA-CYBMUJFWSA-N 1 1 310.398 -0.593 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000378309777 138198283 /nfs/dbraw/zinc/19/82/83/138198283.db2.gz BRURJZSJYLJVDX-CABCVRRESA-N 1 1 319.409 -0.500 10 0 DBAEMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1)C1CCC1 ZINC000408354709 138215405 /nfs/dbraw/zinc/21/54/05/138215405.db2.gz IZJKHDMKXQMMFU-CQSZACIVSA-N 1 1 306.410 -0.497 10 0 DBAEMO CC(=O)N1CC[C@@H](C(=O)N2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000408357209 138215854 /nfs/dbraw/zinc/21/58/54/138215854.db2.gz JIWQMFMBEXIKOG-CYBMUJFWSA-N 1 1 305.382 -0.063 10 0 DBAEMO O=C(N[C@H]1CCC(=O)NC12CCC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000407990132 138201023 /nfs/dbraw/zinc/20/10/23/138201023.db2.gz ZRKFUVKSKVMKRB-STQMWFEESA-N 1 1 306.410 -0.306 10 0 DBAEMO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000407998964 138202106 /nfs/dbraw/zinc/20/21/06/138202106.db2.gz UCIYKLDQDDYXBK-LBPRGKRZSA-N 1 1 318.443 -0.401 10 0 DBAEMO CCn1cc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000408029512 138203553 /nfs/dbraw/zinc/20/35/53/138203553.db2.gz TUJFNEVMJKRQNU-STQMWFEESA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1cc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000408029512 138203555 /nfs/dbraw/zinc/20/35/55/138203555.db2.gz TUJFNEVMJKRQNU-STQMWFEESA-N 1 1 314.411 -0.003 10 0 DBAEMO COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408027754 138203922 /nfs/dbraw/zinc/20/39/22/138203922.db2.gz MKKZWDIUPITQTK-WOPDTQHZSA-N 1 1 320.411 -0.470 10 0 DBAEMO Cc1noc([C@H]2COCCN2C(=O)[C@H]2C[N@H+]3CCN2CCC3)n1 ZINC000408042870 138204529 /nfs/dbraw/zinc/20/45/29/138204529.db2.gz UOBDAFHMXVVKMM-CHWSQXEVSA-N 1 1 321.381 -0.332 10 0 DBAEMO O=C1CNC(=O)N1CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408046816 138205024 /nfs/dbraw/zinc/20/50/24/138205024.db2.gz YGGXIDODIZBEAX-YNEHKIRRSA-N 1 1 311.382 -0.210 10 0 DBAEMO O=C1CNC(=O)N1CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408046816 138205025 /nfs/dbraw/zinc/20/50/25/138205025.db2.gz YGGXIDODIZBEAX-YNEHKIRRSA-N 1 1 311.382 -0.210 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000408108876 138207229 /nfs/dbraw/zinc/20/72/29/138207229.db2.gz CNGCNJUYWVQQIE-GMXVVIOVSA-N 1 1 315.439 -0.179 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000408108876 138207230 /nfs/dbraw/zinc/20/72/30/138207230.db2.gz CNGCNJUYWVQQIE-GMXVVIOVSA-N 1 1 315.439 -0.179 10 0 DBAEMO C[C@@H]1CCN(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)C1 ZINC000408139805 138207989 /nfs/dbraw/zinc/20/79/89/138207989.db2.gz POKARYXTFHVZOT-GFCCVEGCSA-N 1 1 305.444 -0.039 10 0 DBAEMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC000408144687 138208873 /nfs/dbraw/zinc/20/88/73/138208873.db2.gz MWRMLMQDSKHXAQ-NEPJUHHUSA-N 1 1 308.382 -0.129 10 0 DBAEMO CN1CCN(C)[C@@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000408181067 138209734 /nfs/dbraw/zinc/20/97/34/138209734.db2.gz AGBLEBBGIDSQJB-KBPBESRZSA-N 1 1 313.446 -0.796 10 0 DBAEMO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000408232109 138211434 /nfs/dbraw/zinc/21/14/34/138211434.db2.gz LVQRXJZHPPFZME-RYUDHWBXSA-N 1 1 322.365 -0.872 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H]1C ZINC000408233216 138211724 /nfs/dbraw/zinc/21/17/24/138211724.db2.gz ZCYIAKDOJKORIA-UWVGGRQHSA-N 1 1 310.354 -0.987 10 0 DBAEMO NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000245396461 283286075 /nfs/dbraw/zinc/28/60/75/283286075.db2.gz LILCKDSIHFJQGT-CHWSQXEVSA-N 1 1 324.425 -0.312 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000262377999 283318576 /nfs/dbraw/zinc/31/85/76/283318576.db2.gz YIGDDEMEGSEFRS-DGAVXFQQSA-N 1 1 308.426 -0.231 10 0 DBAEMO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)n(C)n1 ZINC000091757033 193103052 /nfs/dbraw/zinc/10/30/52/193103052.db2.gz SNWYEFJHYRRGAU-OAHLLOKOSA-N 1 1 307.398 -0.070 10 0 DBAEMO Cc1nc(C[N@H+]2CC[C@@]3(C2)CCCN(CCO)C3=O)n(C)n1 ZINC000091757033 193103054 /nfs/dbraw/zinc/10/30/54/193103054.db2.gz SNWYEFJHYRRGAU-OAHLLOKOSA-N 1 1 307.398 -0.070 10 0 DBAEMO CN(CCCn1cccn1)C(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000091974384 193135020 /nfs/dbraw/zinc/13/50/20/193135020.db2.gz ZRIWBEKNBYOWAJ-UHFFFAOYSA-N 1 1 307.398 -0.071 10 0 DBAEMO O=C(CN1CCCCC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186711858 374255478 /nfs/dbraw/zinc/25/54/78/374255478.db2.gz VYWCZXISSOFYTL-ZDUSSCGKSA-N 1 1 322.409 -0.578 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247190611 374417793 /nfs/dbraw/zinc/41/77/93/374417793.db2.gz SQUIDLHTLFPUSK-ZIAGYGMSSA-N 1 1 324.425 -0.883 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H](C)O[C@H](C(N)=O)C2)CC1 ZINC000625736699 374715291 /nfs/dbraw/zinc/71/52/91/374715291.db2.gz OGIUWAXANFWGOJ-AVGNSLFASA-N 1 1 312.414 -0.886 10 0 DBAEMO [NH3+][C@H]1C[C@@H](C(=O)[O-])[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000077470989 374720653 /nfs/dbraw/zinc/72/06/53/374720653.db2.gz RQJBPRRXKITJKF-GWCFXTLKSA-N 1 1 319.365 -0.433 10 0 DBAEMO [NH3+][C@H]1C[C@@H](C(=O)[O-])[N@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000077470989 374720664 /nfs/dbraw/zinc/72/06/64/374720664.db2.gz RQJBPRRXKITJKF-GWCFXTLKSA-N 1 1 319.365 -0.433 10 0 DBAEMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247503977 374805808 /nfs/dbraw/zinc/80/58/08/374805808.db2.gz IQLYYOJQCNAOCP-VXGBXAGGSA-N 1 1 310.398 -0.832 10 0 DBAEMO C[N@@H+](CCC(=O)NC(N)=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105902142 374911498 /nfs/dbraw/zinc/91/14/98/374911498.db2.gz JGXPUMCADRYABN-LLVKDONJSA-N 1 1 306.370 -0.038 10 0 DBAEMO C[C@H](C(N)=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000105894312 374911714 /nfs/dbraw/zinc/91/17/14/374911714.db2.gz ULHAOANXWBHPAO-ZIAGYGMSSA-N 1 1 307.394 -0.082 10 0 DBAEMO CCNC(=O)NC(=O)CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105868980 374911919 /nfs/dbraw/zinc/91/19/19/374911919.db2.gz KTYCTKSSKUSEFQ-UHFFFAOYSA-N 1 1 322.413 -0.227 10 0 DBAEMO CCNC(=O)NC(=O)CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105868980 374911923 /nfs/dbraw/zinc/91/19/23/374911923.db2.gz KTYCTKSSKUSEFQ-UHFFFAOYSA-N 1 1 322.413 -0.227 10 0 DBAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)CCNC(N)=O)CC2)cn1 ZINC000105875210 374911974 /nfs/dbraw/zinc/91/19/74/374911974.db2.gz BTCQKOFPRYINFK-UHFFFAOYSA-N 1 1 322.413 -0.004 10 0 DBAEMO CCn1cc(C[N@H+]2CCCN(C(=O)CCNC(N)=O)CC2)cn1 ZINC000105875210 374911982 /nfs/dbraw/zinc/91/19/82/374911982.db2.gz BTCQKOFPRYINFK-UHFFFAOYSA-N 1 1 322.413 -0.004 10 0 DBAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)NC(N)=O)CC2)cn1 ZINC000105828810 374911995 /nfs/dbraw/zinc/91/19/95/374911995.db2.gz AKMBYVMHFXPZJJ-LBPRGKRZSA-N 1 1 322.413 -0.006 10 0 DBAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)NC(N)=O)CC2)cn1 ZINC000105828810 374912001 /nfs/dbraw/zinc/91/20/01/374912001.db2.gz AKMBYVMHFXPZJJ-LBPRGKRZSA-N 1 1 322.413 -0.006 10 0 DBAEMO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237428709 375002456 /nfs/dbraw/zinc/00/24/56/375002456.db2.gz LBQPCFNBEDBDIR-KGLIPLIRSA-N 1 1 324.425 -0.870 10 0 DBAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCNS(C)(=O)=O ZINC000151557733 375128452 /nfs/dbraw/zinc/12/84/52/375128452.db2.gz MQQAMMHSYYJJEF-GFCCVEGCSA-N 1 1 320.459 -0.045 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCCNC(C)=O)CC1 ZINC000184852149 375237733 /nfs/dbraw/zinc/23/77/33/375237733.db2.gz TVGDFLSMTSTGGF-ZDUSSCGKSA-N 1 1 300.403 -0.389 10 0 DBAEMO Cn1ncnc1[C@H]1COCCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000332755213 375407292 /nfs/dbraw/zinc/40/72/92/375407292.db2.gz KQYJTFKETCISOU-NWDGAFQWSA-N 1 1 308.386 -0.008 10 0 DBAEMO CC(C)[C@@H](CNC(=O)N(C)[C@H]1CCNC1=O)[NH+]1CCOCC1 ZINC000332755703 375408016 /nfs/dbraw/zinc/40/80/16/375408016.db2.gz OKVRWRBLZAEXCF-QWHCGFSZSA-N 1 1 312.414 -0.127 10 0 DBAEMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H](CO)NC(=O)[C@H]3C2)s1 ZINC000014755309 375485409 /nfs/dbraw/zinc/48/54/09/375485409.db2.gz MGDPSEWYCVBQQP-VXGBXAGGSA-N 1 1 309.391 -0.440 10 0 DBAEMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H](CO)NC(=O)[C@H]3C2)s1 ZINC000014755309 375485415 /nfs/dbraw/zinc/48/54/15/375485415.db2.gz MGDPSEWYCVBQQP-VXGBXAGGSA-N 1 1 309.391 -0.440 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000247487655 377133498 /nfs/dbraw/zinc/13/34/98/377133498.db2.gz TYMWEPSSURSFGP-NEPJUHHUSA-N 1 1 306.366 -0.758 10 0 DBAEMO C[C@H](O)CN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@H]1C ZINC000367054238 377459888 /nfs/dbraw/zinc/45/98/88/377459888.db2.gz WLIIUMOAAXGWAL-QLFBSQMISA-N 1 1 310.442 -0.710 10 0 DBAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCO[C@H](CO)C1 ZINC000637985355 377702052 /nfs/dbraw/zinc/70/20/52/377702052.db2.gz DYGFSPLKMLEGHC-LSDHHAIUSA-N 1 1 307.394 -0.335 10 0 DBAEMO CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCO[C@H](CO)C1 ZINC000637985355 377702053 /nfs/dbraw/zinc/70/20/53/377702053.db2.gz DYGFSPLKMLEGHC-LSDHHAIUSA-N 1 1 307.394 -0.335 10 0 DBAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CCCNC1=O ZINC000637958558 377679670 /nfs/dbraw/zinc/67/96/70/377679670.db2.gz UYQMYWQKWKUBAA-ZIAGYGMSSA-N 1 1 304.394 -0.160 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000328769402 378185216 /nfs/dbraw/zinc/18/52/16/378185216.db2.gz IKNKFVQVGFODNH-VXGBXAGGSA-N 1 1 307.398 -0.175 10 0 DBAEMO C[N@H+]1CCO[C@H]2CCN(c3ncc(S(N)(=O)=O)s3)C[C@H]21 ZINC000328934887 378194501 /nfs/dbraw/zinc/19/45/01/378194501.db2.gz FJLOLSGQYOEUMM-BDAKNGLRSA-N 1 1 318.424 -0.300 10 0 DBAEMO Cc1noc([C@H]2CN(CC(=O)N3CC[NH+](C)CC3)CCN2C)n1 ZINC000328955964 378195352 /nfs/dbraw/zinc/19/53/52/378195352.db2.gz OWGSZYBGYYGAOI-CYBMUJFWSA-N 1 1 322.413 -0.559 10 0 DBAEMO Cn1ncc2c1nc(N1CC[C@H]3OCC[N@@H+](C)[C@H]3C1)[nH]c2=O ZINC000328933229 378197289 /nfs/dbraw/zinc/19/72/89/378197289.db2.gz DTJYSIDKCYFCOT-WDEREUQCSA-N 1 1 304.354 -0.022 10 0 DBAEMO C[C@H](CNC(=O)N1CCCNC(=O)[C@H]1C)C[NH+]1CCOCC1 ZINC000191452914 378326502 /nfs/dbraw/zinc/32/65/02/378326502.db2.gz LIWIKHPPYZQCDE-CHWSQXEVSA-N 1 1 312.414 -0.125 10 0 DBAEMO Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)n1 ZINC000329957701 378517061 /nfs/dbraw/zinc/51/70/61/378517061.db2.gz PNDBQPCFHCBQDW-KBPBESRZSA-N 1 1 323.397 -0.547 10 0 DBAEMO Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)n1 ZINC000329957701 378517072 /nfs/dbraw/zinc/51/70/72/378517072.db2.gz PNDBQPCFHCBQDW-KBPBESRZSA-N 1 1 323.397 -0.547 10 0 DBAEMO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330292939 378534636 /nfs/dbraw/zinc/53/46/36/378534636.db2.gz HLRPLUNCGFQQPG-QWHCGFSZSA-N 1 1 321.381 -0.950 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NCCCNC(C)=O)C[C@@H]1C ZINC000117479292 379561769 /nfs/dbraw/zinc/56/17/69/379561769.db2.gz HXKLRPXWGADFQD-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NCCCNC(C)=O)C[C@@H]1C ZINC000117479292 379561776 /nfs/dbraw/zinc/56/17/76/379561776.db2.gz HXKLRPXWGADFQD-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171640379 379695243 /nfs/dbraw/zinc/69/52/43/379695243.db2.gz ASWDTJCRMLSVQG-UKRRQHHQSA-N 1 1 308.426 -0.154 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901247 379697088 /nfs/dbraw/zinc/69/70/88/379697088.db2.gz PBISQWSYHPAARR-LLVKDONJSA-N 1 1 304.416 -0.585 10 0 DBAEMO C[C@H]1CN(C(=O)NCCNC(=O)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175626710 379717359 /nfs/dbraw/zinc/71/73/59/379717359.db2.gz GCSWHWYPECFENK-JSGCOSHPSA-N 1 1 324.425 -0.125 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](C)O[C@H](C(N)=O)C2)CC1 ZINC000177263334 379724775 /nfs/dbraw/zinc/72/47/75/379724775.db2.gz OGIUWAXANFWGOJ-AGIUHOORSA-N 1 1 312.414 -0.886 10 0 DBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCNS(C)(=O)=O ZINC000177346035 379726648 /nfs/dbraw/zinc/72/66/48/379726648.db2.gz SRMKKCJILNOVER-LLVKDONJSA-N 1 1 306.432 -0.339 10 0 DBAEMO CC(C)c1nnnn1CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181323066 379746555 /nfs/dbraw/zinc/74/65/55/379746555.db2.gz WXRMSWYKJNTDKB-GFCCVEGCSA-N 1 1 318.385 -0.297 10 0 DBAEMO O=C(C[N@@H+]1CCCN(c2ccccn2)CC1)N1CCNC(=O)C1 ZINC000183813065 379756161 /nfs/dbraw/zinc/75/61/61/379756161.db2.gz PDAFMLSCJJHBTH-UHFFFAOYSA-N 1 1 317.393 -0.448 10 0 DBAEMO O=C(C[N@H+]1CCCN(c2ccccn2)CC1)N1CCNC(=O)C1 ZINC000183813065 379756166 /nfs/dbraw/zinc/75/61/66/379756166.db2.gz PDAFMLSCJJHBTH-UHFFFAOYSA-N 1 1 317.393 -0.448 10 0 DBAEMO CC(C)c1nnnn1CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000174342276 379710971 /nfs/dbraw/zinc/71/09/71/379710971.db2.gz WEQZGVPBOXEDRA-QWHCGFSZSA-N 1 1 322.413 -0.024 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@@H]1C ZINC000174347904 379711879 /nfs/dbraw/zinc/71/18/79/379711879.db2.gz ZPOMGISYMBRTGP-QWHCGFSZSA-N 1 1 320.393 -0.275 10 0 DBAEMO COCCC[N@@H+](C)CCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191426518 379788702 /nfs/dbraw/zinc/78/87/02/379788702.db2.gz LJPLHHHVKWRFER-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)C[NH+]1CCOCC1 ZINC000187210481 379767188 /nfs/dbraw/zinc/76/71/88/379767188.db2.gz DFXBDHLVBXHUNR-GFCCVEGCSA-N 1 1 324.425 -0.125 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000188268781 379772966 /nfs/dbraw/zinc/77/29/66/379772966.db2.gz ZUZCLRCHXGSEET-UHFFFAOYSA-N 1 1 304.416 -0.585 10 0 DBAEMO O=C(NC[C@H]1OC[C@@H]([NH2+]C2COC2)[C@@H]1O)Nc1ccccc1 ZINC000077265470 379828588 /nfs/dbraw/zinc/82/85/88/379828588.db2.gz QWEULRRKAADUDF-MCIONIFRSA-N 1 1 307.350 -0.075 10 0 DBAEMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000133538185 379916206 /nfs/dbraw/zinc/91/62/06/379916206.db2.gz TVQFSPHTRQIWQK-ZIAGYGMSSA-N 1 1 319.471 -0.032 10 0 DBAEMO O=C(C1=NN(CCO)C(=O)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000136701792 379922643 /nfs/dbraw/zinc/92/26/43/379922643.db2.gz ABTZLYNDQSOHAW-GFCCVEGCSA-N 1 1 308.382 -0.346 10 0 DBAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)cn1 ZINC000116310916 379882646 /nfs/dbraw/zinc/88/26/46/379882646.db2.gz POMCPYJUCWXVME-STQMWFEESA-N 1 1 319.409 -0.067 10 0 DBAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404151124 379900551 /nfs/dbraw/zinc/90/05/51/379900551.db2.gz MMBTWTQZKLCCFL-QWRGUYRKSA-N 1 1 300.384 -0.222 10 0 DBAEMO CC[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C[C@H](C)O ZINC000245747266 379973164 /nfs/dbraw/zinc/97/31/64/379973164.db2.gz NBPIGKSADPNTLU-GXTWGEPZSA-N 1 1 324.425 -0.639 10 0 DBAEMO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)nn1 ZINC000195317911 379931472 /nfs/dbraw/zinc/93/14/72/379931472.db2.gz XZEZCSGFMBZEAX-GFCCVEGCSA-N 1 1 320.397 -0.323 10 0 DBAEMO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)nn1 ZINC000195317911 379931477 /nfs/dbraw/zinc/93/14/77/379931477.db2.gz XZEZCSGFMBZEAX-GFCCVEGCSA-N 1 1 320.397 -0.323 10 0 DBAEMO COCCn1nc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1=O ZINC000195321394 379931893 /nfs/dbraw/zinc/93/18/93/379931893.db2.gz NKDMSQJWASPDJG-LBPRGKRZSA-N 1 1 306.366 -0.190 10 0 DBAEMO CCn1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cn1 ZINC000246445892 380091714 /nfs/dbraw/zinc/09/17/14/380091714.db2.gz OFXICMSYYNYQNX-NEPJUHHUSA-N 1 1 323.397 -0.245 10 0 DBAEMO CCn1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cn1 ZINC000246445892 380091717 /nfs/dbraw/zinc/09/17/17/380091717.db2.gz OFXICMSYYNYQNX-NEPJUHHUSA-N 1 1 323.397 -0.245 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C[C@H]1C ZINC000247215166 380102204 /nfs/dbraw/zinc/10/22/04/380102204.db2.gz UYAVYQLBNXJUFQ-KGLIPLIRSA-N 1 1 314.430 -0.321 10 0 DBAEMO COCC[N@@H+]1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1C ZINC000247033841 380103219 /nfs/dbraw/zinc/10/32/19/380103219.db2.gz DHHOIMPEQZNUMY-CHWSQXEVSA-N 1 1 314.430 -0.768 10 0 DBAEMO COCC[N@H+]1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1C ZINC000247033841 380103225 /nfs/dbraw/zinc/10/32/25/380103225.db2.gz DHHOIMPEQZNUMY-CHWSQXEVSA-N 1 1 314.430 -0.768 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C ZINC000246936049 380103413 /nfs/dbraw/zinc/10/34/13/380103413.db2.gz ZPOMGISYMBRTGP-OLZOCXBDSA-N 1 1 320.393 -0.275 10 0 DBAEMO CN(CC(=O)N1CCOCC1)C(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247212712 380103705 /nfs/dbraw/zinc/10/37/05/380103705.db2.gz PUVFPAGHICWHRQ-AWEZNQCLSA-N 1 1 324.425 -0.916 10 0 DBAEMO CC[C@@H]1CN(CCCN2C(=O)CNC2=O)CC[N@H+]1C[C@H](C)O ZINC000247197571 380103725 /nfs/dbraw/zinc/10/37/25/380103725.db2.gz OTCCTNJUJODUFP-QWHCGFSZSA-N 1 1 312.414 -0.295 10 0 DBAEMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000246989016 380103738 /nfs/dbraw/zinc/10/37/38/380103738.db2.gz YKHKSXQTFNGIMU-CMPLNLGQSA-N 1 1 306.370 -0.680 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN(C)S(C)(=O)=O ZINC000246930445 380103753 /nfs/dbraw/zinc/10/37/53/380103753.db2.gz JTNVRTWDIBYQOQ-NEPJUHHUSA-N 1 1 303.428 -0.037 10 0 DBAEMO CC(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247549052 380104752 /nfs/dbraw/zinc/10/47/52/380104752.db2.gz ZDMIMQCVZWJUJZ-HIFRSBDPSA-N 1 1 308.426 -0.154 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCC(=O)N1CCCC1 ZINC000247521528 380105050 /nfs/dbraw/zinc/10/50/50/380105050.db2.gz WTFXQCGOLKGSGR-KGLIPLIRSA-N 1 1 308.426 -0.107 10 0 DBAEMO CC(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000247549058 380105183 /nfs/dbraw/zinc/10/51/83/380105183.db2.gz ZDMIMQCVZWJUJZ-ZFWWWQNUSA-N 1 1 308.426 -0.154 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(Cc2nc(N)nc(N(C)C)n2)C[C@H]1C ZINC000247602551 380106136 /nfs/dbraw/zinc/10/61/36/380106136.db2.gz LEQVGTKCKZDKAX-MNOVXSKESA-N 1 1 309.418 -0.593 10 0 DBAEMO COCC[N@H+](C)CCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248650802 380111340 /nfs/dbraw/zinc/11/13/40/380111340.db2.gz UUQWWSCKXGTBKX-KBPBESRZSA-N 1 1 316.446 -0.339 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248650802 380111345 /nfs/dbraw/zinc/11/13/45/380111345.db2.gz UUQWWSCKXGTBKX-KBPBESRZSA-N 1 1 316.446 -0.339 10 0 DBAEMO CC(C)C(=O)NCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248651213 380111567 /nfs/dbraw/zinc/11/15/67/380111567.db2.gz UWBXHSLUBDRPIM-STQMWFEESA-N 1 1 314.430 -0.145 10 0 DBAEMO C[C@@H]1C(=O)NCCCN1C/C=C/C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249103579 380112975 /nfs/dbraw/zinc/11/29/75/380112975.db2.gz WRBIDYJUZGWQDL-LSMGEYOZSA-N 1 1 308.426 -0.037 10 0 DBAEMO C[C@@H]1C(=O)NCCCN1C/C=C/C[N@H+]1CCCNC(=O)[C@H]1C ZINC000249103579 380112982 /nfs/dbraw/zinc/11/29/82/380112982.db2.gz WRBIDYJUZGWQDL-LSMGEYOZSA-N 1 1 308.426 -0.037 10 0 DBAEMO CC[C@@H]1CN(C(=O)NCC(=O)N(C)CC)CC[N@H+]1C[C@H](C)O ZINC000251552815 380124714 /nfs/dbraw/zinc/12/47/14/380124714.db2.gz HUADFECICLTZAN-QWHCGFSZSA-N 1 1 314.430 -0.049 10 0 DBAEMO C[NH2+][C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cnn(C)c1 ZINC000262607871 380196429 /nfs/dbraw/zinc/19/64/29/380196429.db2.gz YLFSBKCUVNGKMW-TWJQMWNJSA-N 1 1 305.382 -0.194 10 0 DBAEMO O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1COCC[NH2+]1 ZINC000263290287 380214174 /nfs/dbraw/zinc/21/41/74/380214174.db2.gz WBNISAWQKGREBY-GXTWGEPZSA-N 1 1 315.439 -0.701 10 0 DBAEMO CCCOCCCCCC[N@H+]1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1CO ZINC000006891051 380649880 /nfs/dbraw/zinc/64/98/80/380649880.db2.gz OLYHECNPMKMYII-YJNKXOJESA-N 1 1 305.415 -0.267 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(CCOC)C(=O)C2)C1 ZINC000129171271 381371540 /nfs/dbraw/zinc/37/15/40/381371540.db2.gz XAVCVTBVXBGWJU-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H](O)CN1CCOCC1 ZINC000246157886 381578932 /nfs/dbraw/zinc/57/89/32/381578932.db2.gz QCMXSYMHOIWJJT-KGLIPLIRSA-N 1 1 304.431 -0.213 10 0 DBAEMO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cnn1C ZINC000246303070 381581281 /nfs/dbraw/zinc/58/12/81/381581281.db2.gz DFAXXMFDTUXCDL-MNOVXSKESA-N 1 1 323.397 -0.419 10 0 DBAEMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cnn1C ZINC000246303070 381581287 /nfs/dbraw/zinc/58/12/87/381581287.db2.gz DFAXXMFDTUXCDL-MNOVXSKESA-N 1 1 323.397 -0.419 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@H]1C ZINC000247205848 381596104 /nfs/dbraw/zinc/59/61/04/381596104.db2.gz XMKDBYZQPYUTLP-MNOVXSKESA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@H]1C ZINC000247205848 381596108 /nfs/dbraw/zinc/59/61/08/381596108.db2.gz XMKDBYZQPYUTLP-MNOVXSKESA-N 1 1 309.370 -0.728 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@@H+]1C[C@@H](C)O ZINC000154543842 381689519 /nfs/dbraw/zinc/68/95/19/381689519.db2.gz PTQJBGLJJRZSQV-NEPJUHHUSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@H+]1C[C@@H](C)O ZINC000154543842 381689528 /nfs/dbraw/zinc/68/95/28/381689528.db2.gz PTQJBGLJJRZSQV-NEPJUHHUSA-N 1 1 323.397 -0.338 10 0 DBAEMO CCN1CCN(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)C(=O)C1=O ZINC000159067492 381757724 /nfs/dbraw/zinc/75/77/24/381757724.db2.gz KYAVBBVFXRUWCR-STQMWFEESA-N 1 1 324.425 -0.478 10 0 DBAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](CO)C1 ZINC000333028700 381881236 /nfs/dbraw/zinc/88/12/36/381881236.db2.gz LUTKZPWHHHWTPW-QWHCGFSZSA-N 1 1 301.387 -0.500 10 0 DBAEMO O=C(CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000171899951 381888697 /nfs/dbraw/zinc/88/86/97/381888697.db2.gz DUGBYBXKKDJGDL-CYBMUJFWSA-N 1 1 310.398 -0.275 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000181925285 382074922 /nfs/dbraw/zinc/07/49/22/382074922.db2.gz YVQMHOSTBKWNGL-TZMCWYRMSA-N 1 1 324.425 -0.152 10 0 DBAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000105818454 382350157 /nfs/dbraw/zinc/35/01/57/382350157.db2.gz CVTZTIXINIBAIT-ZDUSSCGKSA-N 1 1 322.413 -0.328 10 0 DBAEMO Cc1nc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cn1C ZINC000404153583 382404988 /nfs/dbraw/zinc/40/49/88/382404988.db2.gz NNVIRJMCMKIYTA-QWRGUYRKSA-N 1 1 300.384 -0.520 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000162930250 382640399 /nfs/dbraw/zinc/64/03/99/382640399.db2.gz DWWMKCZKNJBAMI-CHWSQXEVSA-N 1 1 312.414 -0.031 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000162930250 382640401 /nfs/dbraw/zinc/64/04/01/382640401.db2.gz DWWMKCZKNJBAMI-CHWSQXEVSA-N 1 1 312.414 -0.031 10 0 DBAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)cn1 ZINC000172058118 382666245 /nfs/dbraw/zinc/66/62/45/382666245.db2.gz DAFGERAQXPAJBL-LLVKDONJSA-N 1 1 303.366 -0.193 10 0 DBAEMO Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285714495 391946885 /nfs/dbraw/zinc/94/68/85/391946885.db2.gz JKHWPBKOJUIOLG-ZIAGYGMSSA-N 1 1 321.377 -0.206 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000187068926 391950592 /nfs/dbraw/zinc/95/05/92/391950592.db2.gz MNAGBANVVZJUAX-LBPRGKRZSA-N 1 1 318.443 -0.339 10 0 DBAEMO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1C(N)=O ZINC000286108594 391955895 /nfs/dbraw/zinc/95/58/95/391955895.db2.gz IVFPMWFELIRHFB-UTUOFQBUSA-N 1 1 305.382 -0.031 10 0 DBAEMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195328580 392023186 /nfs/dbraw/zinc/02/31/86/392023186.db2.gz OUHNEEMCTWSZGJ-VXGBXAGGSA-N 1 1 301.412 -0.283 10 0 DBAEMO CNC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC000286287137 131228111 /nfs/dbraw/zinc/22/81/11/131228111.db2.gz HINODLFVKVSACF-HZSPNIEDSA-N 1 1 319.409 -0.198 10 0 DBAEMO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286326547 131230632 /nfs/dbraw/zinc/23/06/32/131230632.db2.gz WGCBFSADCICLLI-INIZCTEOSA-N 1 1 305.378 -0.077 10 0 DBAEMO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286326547 131230633 /nfs/dbraw/zinc/23/06/33/131230633.db2.gz WGCBFSADCICLLI-INIZCTEOSA-N 1 1 305.378 -0.077 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H]1Cn1ccnn1 ZINC000408039520 392690937 /nfs/dbraw/zinc/69/09/37/392690937.db2.gz VYGZNJRVLXWNJR-UONOGXRCSA-N 1 1 304.398 -0.341 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)[N@H+](C)C1 ZINC000408040107 392691237 /nfs/dbraw/zinc/69/12/37/392691237.db2.gz CXGSSFJCGBVXFR-STQMWFEESA-N 1 1 321.381 -0.686 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)[N@@H+](C)C1 ZINC000408040107 392691243 /nfs/dbraw/zinc/69/12/43/392691243.db2.gz CXGSSFJCGBVXFR-STQMWFEESA-N 1 1 321.381 -0.686 10 0 DBAEMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408048961 392787752 /nfs/dbraw/zinc/78/77/52/392787752.db2.gz SMTJEBNTFXYUQL-NOOOWODRSA-N 1 1 310.398 -0.848 10 0 DBAEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000408112758 392813099 /nfs/dbraw/zinc/81/30/99/392813099.db2.gz NLBAKBTWGYTGEM-VIFPVBQESA-N 1 1 317.349 -0.190 10 0 DBAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000408112758 392813105 /nfs/dbraw/zinc/81/31/05/392813105.db2.gz NLBAKBTWGYTGEM-VIFPVBQESA-N 1 1 317.349 -0.190 10 0 DBAEMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C(N)=O)O1 ZINC000408276775 392836191 /nfs/dbraw/zinc/83/61/91/392836191.db2.gz KXOBGHYQAWBDGA-LPWJVIDDSA-N 1 1 310.398 -0.103 10 0 DBAEMO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000408431448 392873675 /nfs/dbraw/zinc/87/36/75/392873675.db2.gz HRDGVYAVJOFZPF-OLZOCXBDSA-N 1 1 321.443 -0.660 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000329543340 393265087 /nfs/dbraw/zinc/26/50/87/393265087.db2.gz NXMIJZHRIFEXKN-STQMWFEESA-N 1 1 315.439 -0.588 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000181713244 393487995 /nfs/dbraw/zinc/48/79/95/393487995.db2.gz VSQOGXCLXYQHRK-KGLIPLIRSA-N 1 1 314.430 -0.585 10 0 DBAEMO CC(C)CS(=O)(=O)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116787553 393501866 /nfs/dbraw/zinc/50/18/66/393501866.db2.gz OSKDZEJZGHADAR-LBPRGKRZSA-N 1 1 306.428 -0.154 10 0 DBAEMO C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1N1CCOCC1 ZINC000246341373 393593278 /nfs/dbraw/zinc/59/32/78/393593278.db2.gz FHYJXFALIJXBOF-TZMCWYRMSA-N 1 1 322.409 -0.764 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)NC ZINC000408455599 287219549 /nfs/dbraw/zinc/21/95/49/287219549.db2.gz YYSVZRSHSJCLNT-GHMZBOCLSA-N 1 1 304.416 -0.875 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000111685138 544418707 /nfs/dbraw/zinc/41/87/07/544418707.db2.gz VQNIYAUCVANUFO-CYBMUJFWSA-N 1 1 305.382 -0.418 10 0 DBAEMO Cn1cc(CN2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)cn1 ZINC000328673674 544432386 /nfs/dbraw/zinc/43/23/86/544432386.db2.gz PJMLQWVXKAEVRG-OAHLLOKOSA-N 1 1 321.425 -0.479 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)[N@@H+](C)C1 ZINC000328934264 544455507 /nfs/dbraw/zinc/45/55/07/544455507.db2.gz CBVABMFVKDPBET-SDDRHHMPSA-N 1 1 309.370 -0.268 10 0 DBAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCCNC2=O)C1 ZINC000332740290 544546676 /nfs/dbraw/zinc/54/66/76/544546676.db2.gz KMUNQSIOGIEPEM-QWHCGFSZSA-N 1 1 312.414 -0.079 10 0 DBAEMO C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000332825774 544547745 /nfs/dbraw/zinc/54/77/45/544547745.db2.gz UYXGCGSGMSBSJQ-KBPBESRZSA-N 1 1 313.446 -0.748 10 0 DBAEMO O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1COCC[NH2+]1 ZINC000262332562 544657658 /nfs/dbraw/zinc/65/76/58/544657658.db2.gz SPSBASHXOXTYKK-ZDUSSCGKSA-N 1 1 306.366 -0.477 10 0 DBAEMO CN1CCN(c2cc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)ccn2)CC1 ZINC000262371397 544658236 /nfs/dbraw/zinc/65/82/36/544658236.db2.gz WETYGFKPKGUHER-KBPBESRZSA-N 1 1 319.409 -0.857 10 0 DBAEMO CNC(=O)[C@H]1CCCN1C(=O)NCCC[N@@H+](C)CCOC ZINC000156126237 544682409 /nfs/dbraw/zinc/68/24/09/544682409.db2.gz YJRIVUSOJQIENG-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(C)c2C)CC1 ZINC000189473334 265665928 /nfs/dbraw/zinc/66/59/28/265665928.db2.gz CXTHQQFSSLDOCK-LBPRGKRZSA-N 1 1 323.397 -0.418 10 0 DBAEMO CC(=O)NCC(=O)NCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080717191 278095773 /nfs/dbraw/zinc/09/57/73/278095773.db2.gz MFZHRIOWOOYCIB-YHWZYXNKSA-N 1 1 310.398 -0.630 10 0 DBAEMO CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000120641239 278162389 /nfs/dbraw/zinc/16/23/89/278162389.db2.gz MHNIYBTUPSRYIK-DGCLKSJQSA-N 1 1 310.398 -0.724 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1N1CCOCC1 ZINC000246191579 288185384 /nfs/dbraw/zinc/18/53/84/288185384.db2.gz VOEOXWGZFNGIKE-OWCLPIDISA-N 1 1 313.442 -0.668 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CSCN2C(C)=O)CC1 ZINC000408099689 280205692 /nfs/dbraw/zinc/20/56/92/280205692.db2.gz XWIUDTMGVBNHGW-OLZOCXBDSA-N 1 1 315.439 -0.177 10 0 DBAEMO CC[C@H]1CN(CCCC(=O)NC(N)=O)CC[N@H+]1C[C@@H](C)O ZINC000171566100 281166089 /nfs/dbraw/zinc/16/60/89/281166089.db2.gz IAKXVOIDFHWEHQ-NEPJUHHUSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@H]1C[N@H+](CCCC(=O)NC(N)=O)CCN1C[C@@H](C)O ZINC000171566100 281166091 /nfs/dbraw/zinc/16/60/91/281166091.db2.gz IAKXVOIDFHWEHQ-NEPJUHHUSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@H]1C[N@@H+](CCCC(=O)NC(N)=O)CCN1C[C@@H](C)O ZINC000171566100 281166093 /nfs/dbraw/zinc/16/60/93/281166093.db2.gz IAKXVOIDFHWEHQ-NEPJUHHUSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC(=O)N(C)C ZINC000249176606 281196065 /nfs/dbraw/zinc/19/60/65/281196065.db2.gz MFTQLUWDQDVDIQ-RYUDHWBXSA-N 1 1 310.398 -0.724 10 0 DBAEMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408048962 289276570 /nfs/dbraw/zinc/27/65/70/289276570.db2.gz SMTJEBNTFXYUQL-WISYIIOYSA-N 1 1 310.398 -0.848 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C[C@H]1C ZINC000248644600 290096736 /nfs/dbraw/zinc/09/67/36/290096736.db2.gz SAXGADIWYOUQFE-RDBSUJKOSA-N 1 1 314.430 -0.587 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](C)C1 ZINC000330174835 290107183 /nfs/dbraw/zinc/10/71/83/290107183.db2.gz IOBXYZJTPRRDNN-CAEXGNQWSA-N 1 1 312.410 -0.049 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](C)C1 ZINC000330174835 290107185 /nfs/dbraw/zinc/10/71/85/290107185.db2.gz IOBXYZJTPRRDNN-CAEXGNQWSA-N 1 1 312.410 -0.049 10 0 DBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 ZINC000408062883 290235369 /nfs/dbraw/zinc/23/53/69/290235369.db2.gz OWZFVBLQCCCPPT-WDEREUQCSA-N 1 1 319.427 -0.754 10 0 DBAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247176355 298122492 /nfs/dbraw/zinc/12/24/92/298122492.db2.gz RMFUFOSOKHCMKG-DGCLKSJQSA-N 1 1 310.398 -0.230 10 0 DBAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247176355 298122493 /nfs/dbraw/zinc/12/24/93/298122493.db2.gz RMFUFOSOKHCMKG-DGCLKSJQSA-N 1 1 310.398 -0.230 10 0 DBAEMO CC(=O)N1CCN(C(=O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000113268151 519569294 /nfs/dbraw/zinc/56/92/94/519569294.db2.gz ZDMIMQCVZWJUJZ-UKRRQHHQSA-N 1 1 308.426 -0.154 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000333116511 519570070 /nfs/dbraw/zinc/57/00/70/519570070.db2.gz YUWUCFPFDBNBTN-ZDUSSCGKSA-N 1 1 320.397 -0.325 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000333116511 519570074 /nfs/dbraw/zinc/57/00/74/519570074.db2.gz YUWUCFPFDBNBTN-ZDUSSCGKSA-N 1 1 320.397 -0.325 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000333116510 519571519 /nfs/dbraw/zinc/57/15/19/519571519.db2.gz YUWUCFPFDBNBTN-CYBMUJFWSA-N 1 1 320.397 -0.325 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000333116510 519571530 /nfs/dbraw/zinc/57/15/30/519571530.db2.gz YUWUCFPFDBNBTN-CYBMUJFWSA-N 1 1 320.397 -0.325 10 0 DBAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(CC(=O)N(C)C)CC2)C1 ZINC000105845584 519686098 /nfs/dbraw/zinc/68/60/98/519686098.db2.gz NPHJJLBTNNEOMQ-OAHLLOKOSA-N 1 1 312.458 -0.199 10 0 DBAEMO CCOCC[N@H+]1CCN(Cc2nc(N)nc(N)n2)C[C@@H]1CC ZINC000105837853 519921848 /nfs/dbraw/zinc/92/18/48/519921848.db2.gz NWHVIMCISUMTFS-NSHDSACASA-N 1 1 309.418 -0.031 10 0 DBAEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1C ZINC000105834468 519924092 /nfs/dbraw/zinc/92/40/92/519924092.db2.gz IGZHBDVLJVSXQT-RYUDHWBXSA-N 1 1 300.403 -0.127 10 0 DBAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1C ZINC000105834468 519924095 /nfs/dbraw/zinc/92/40/95/519924095.db2.gz IGZHBDVLJVSXQT-RYUDHWBXSA-N 1 1 300.403 -0.127 10 0 DBAEMO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000407998709 534578685 /nfs/dbraw/zinc/57/86/85/534578685.db2.gz RIPFVJJCJSDRHP-KWCYVHTRSA-N 1 1 324.425 -0.301 10 0 DBAEMO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000407998709 534578692 /nfs/dbraw/zinc/57/86/92/534578692.db2.gz RIPFVJJCJSDRHP-KWCYVHTRSA-N 1 1 324.425 -0.301 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000158367022 523215092 /nfs/dbraw/zinc/21/50/92/523215092.db2.gz OBSBZUREMOOZLG-YPMHNXCESA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000158367022 523215102 /nfs/dbraw/zinc/21/51/02/523215102.db2.gz OBSBZUREMOOZLG-YPMHNXCESA-N 1 1 323.397 -0.338 10 0 DBAEMO CN1C(=O)C[C@@H](N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000157255125 523702108 /nfs/dbraw/zinc/70/21/08/523702108.db2.gz HAADAELZBQVPPN-IZGVIRRGSA-N 1 1 320.437 -0.014 10 0 DBAEMO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000368910002 523772461 /nfs/dbraw/zinc/77/24/61/523772461.db2.gz MNELUXIGATYJCC-YNEHKIRRSA-N 1 1 323.393 -0.440 10 0 DBAEMO C[N@H+]1CCN(CCNC(=O)N[C@H]2CC[S@](=O)C2)CC1(C)C ZINC000333081990 523902041 /nfs/dbraw/zinc/90/20/41/523902041.db2.gz MFXUPDBPXZBFAD-QKVFXAPYSA-N 1 1 316.471 -0.167 10 0 DBAEMO CN(C(=O)[C@H]1COCC[NH2+]1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246231977 523910142 /nfs/dbraw/zinc/91/01/42/523910142.db2.gz HXPQPQNGTFCEEH-QWHCGFSZSA-N 1 1 305.382 -0.108 10 0 DBAEMO CS(=O)(=O)NCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105107492 525193893 /nfs/dbraw/zinc/19/38/93/525193893.db2.gz PVJQYXHDIHNMGP-LLVKDONJSA-N 1 1 304.416 -0.585 10 0 DBAEMO Cc1nc(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n[nH]1 ZINC000366022271 526782205 /nfs/dbraw/zinc/78/22/05/526782205.db2.gz AVMAVBKMVSARGH-AWEZNQCLSA-N 1 1 309.414 -0.014 10 0 DBAEMO Cc1nnc(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)[nH]1 ZINC000366022271 526782213 /nfs/dbraw/zinc/78/22/13/526782213.db2.gz AVMAVBKMVSARGH-AWEZNQCLSA-N 1 1 309.414 -0.014 10 0 DBAEMO CC[C@](C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000408405810 535845590 /nfs/dbraw/zinc/84/55/90/535845590.db2.gz KWHBPWMIIJQXJG-HNNXBMFYSA-N 1 1 313.398 -0.850 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000408026248 536126792 /nfs/dbraw/zinc/12/67/92/536126792.db2.gz CYUGGPDPLRWUPS-RYUDHWBXSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000408026248 536126798 /nfs/dbraw/zinc/12/67/98/536126798.db2.gz CYUGGPDPLRWUPS-RYUDHWBXSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000408026234 536127214 /nfs/dbraw/zinc/12/72/14/536127214.db2.gz CYUGGPDPLRWUPS-NEPJUHHUSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000408026234 536127216 /nfs/dbraw/zinc/12/72/16/536127216.db2.gz CYUGGPDPLRWUPS-NEPJUHHUSA-N 1 1 314.411 -0.003 10 0 DBAEMO Cc1nnc(COC2CN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C2)o1 ZINC000911410203 674720833 /nfs/dbraw/zinc/72/08/33/674720833.db2.gz WCMLVDGDFVDPCQ-IINYFYTJSA-N 1 1 310.354 -0.439 10 0 DBAEMO O=C(C[C@H]1CS(=O)(=O)CCN1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000226676346 674870691 /nfs/dbraw/zinc/87/06/91/674870691.db2.gz HVAZYHNZGARDQF-NWDGAFQWSA-N 1 1 301.412 -0.930 10 0 DBAEMO CN1CCO[C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC000328931901 283030059 /nfs/dbraw/zinc/03/00/59/283030059.db2.gz ZYDASDMWVFPJOM-NEPJUHHUSA-N 1 1 310.398 -0.074 10 0 DBAEMO O=C(N[C@H]1CCC(=O)NC12CCC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000407990128 138201043 /nfs/dbraw/zinc/20/10/43/138201043.db2.gz ZRKFUVKSKVMKRB-OLZOCXBDSA-N 1 1 306.410 -0.306 10 0 DBAEMO Cn1cnc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000408027746 138203544 /nfs/dbraw/zinc/20/35/44/138203544.db2.gz MHPDZIFXUNFIAF-QWRGUYRKSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cn1cnc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000408027746 138203545 /nfs/dbraw/zinc/20/35/45/138203545.db2.gz MHPDZIFXUNFIAF-QWRGUYRKSA-N 1 1 300.384 -0.486 10 0 DBAEMO CCn1cc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000408029346 138203639 /nfs/dbraw/zinc/20/36/39/138203639.db2.gz TUJFNEVMJKRQNU-OLZOCXBDSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1cc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000408029346 138203641 /nfs/dbraw/zinc/20/36/41/138203641.db2.gz TUJFNEVMJKRQNU-OLZOCXBDSA-N 1 1 314.411 -0.003 10 0 DBAEMO Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408033132 138204027 /nfs/dbraw/zinc/20/40/27/138204027.db2.gz IBKJZIKECUGGJV-STQMWFEESA-N 1 1 304.398 -0.072 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408033251 138204269 /nfs/dbraw/zinc/20/42/69/138204269.db2.gz JOKOTWHGMIPUHU-STQMWFEESA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000408033251 138204270 /nfs/dbraw/zinc/20/42/70/138204270.db2.gz JOKOTWHGMIPUHU-STQMWFEESA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000408033251 138204272 /nfs/dbraw/zinc/20/42/72/138204272.db2.gz JOKOTWHGMIPUHU-STQMWFEESA-N 1 1 304.398 -0.099 10 0 DBAEMO C[N@@H+](CCO)C1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000408097069 138206395 /nfs/dbraw/zinc/20/63/95/138206395.db2.gz HXFKZHAIRBUBTH-CYBMUJFWSA-N 1 1 306.428 -0.116 10 0 DBAEMO NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000408076325 138206582 /nfs/dbraw/zinc/20/65/82/138206582.db2.gz HBQVCLCYHYZKRZ-JTQLQIEISA-N 1 1 310.379 -0.351 10 0 DBAEMO NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000408076326 138206734 /nfs/dbraw/zinc/20/67/34/138206734.db2.gz HBQVCLCYHYZKRZ-SNVBAGLBSA-N 1 1 310.379 -0.351 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H]1C ZINC000408233217 138211479 /nfs/dbraw/zinc/21/14/79/138211479.db2.gz ZCYIAKDOJKORIA-VHSXEESVSA-N 1 1 310.354 -0.987 10 0 DBAEMO CNS(=O)(=O)CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000408403604 138218107 /nfs/dbraw/zinc/21/81/07/138218107.db2.gz VPAJVXDIIKOIQU-LLVKDONJSA-N 1 1 319.427 -0.753 10 0 DBAEMO COc1c(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(C)nn1C ZINC000408404464 138218250 /nfs/dbraw/zinc/21/82/50/138218250.db2.gz ZEDREOPPEHKCDT-AWEZNQCLSA-N 1 1 307.354 -0.089 10 0 DBAEMO COc1c(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(C)nn1C ZINC000408404464 138218252 /nfs/dbraw/zinc/21/82/52/138218252.db2.gz ZEDREOPPEHKCDT-AWEZNQCLSA-N 1 1 307.354 -0.089 10 0 DBAEMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)C[C@H]2C1 ZINC000192480833 283208687 /nfs/dbraw/zinc/20/86/87/283208687.db2.gz NQNOIWCGYJWEQZ-UPJWGTAASA-N 1 1 315.439 -0.322 10 0 DBAEMO NC(=O)NC(=O)CCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000171549004 283301416 /nfs/dbraw/zinc/30/14/16/283301416.db2.gz AGUFUUNEHAWUOG-UHFFFAOYSA-N 1 1 306.370 -0.036 10 0 DBAEMO CNC(=O)CN1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171901256 283315057 /nfs/dbraw/zinc/31/50/57/283315057.db2.gz UIRUOQJCRMCSIY-CQSZACIVSA-N 1 1 323.441 -0.314 10 0 DBAEMO C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333591925 291228522 /nfs/dbraw/zinc/22/85/22/291228522.db2.gz OOOQRAXJKOBNKY-JHJVBQTASA-N 1 1 310.398 -0.230 10 0 DBAEMO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000408059545 284199149 /nfs/dbraw/zinc/19/91/49/284199149.db2.gz QLAVKIDTBSBFFQ-BJDJZHNGSA-N 1 1 300.355 -0.770 10 0 DBAEMO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000408059545 284199154 /nfs/dbraw/zinc/19/91/54/284199154.db2.gz QLAVKIDTBSBFFQ-BJDJZHNGSA-N 1 1 300.355 -0.770 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC000407951636 296185652 /nfs/dbraw/zinc/18/56/52/296185652.db2.gz PZAURWVYTNIECU-CHWSQXEVSA-N 1 1 305.444 -0.591 10 0 DBAEMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921631 284347245 /nfs/dbraw/zinc/34/72/45/284347245.db2.gz CSBYKKWEANDSNZ-KBPBESRZSA-N 1 1 310.442 -0.016 10 0 DBAEMO C[NH+]1CCN(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000017032009 182069769 /nfs/dbraw/zinc/06/97/69/182069769.db2.gz VAQPNLLHJNAETC-RWMBFGLXSA-N 1 1 309.414 -0.946 10 0 DBAEMO CN1CCN(CCC[N@H+](C)C[C@H](O)CN2CCCC2=O)CC1 ZINC000119130292 374251122 /nfs/dbraw/zinc/25/11/22/374251122.db2.gz GSDODBSEBDULKK-HNNXBMFYSA-N 1 1 312.458 -0.461 10 0 DBAEMO CN1CCN(CCC[N@@H+](C)C[C@H](O)CN2CCCC2=O)CC1 ZINC000119130292 374251139 /nfs/dbraw/zinc/25/11/39/374251139.db2.gz GSDODBSEBDULKK-HNNXBMFYSA-N 1 1 312.458 -0.461 10 0 DBAEMO CN1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccco3)[C@@H]2O)CC1 ZINC000022922160 182340899 /nfs/dbraw/zinc/34/08/99/182340899.db2.gz ZKUOBFQUDBZSAQ-DGXTUMSLSA-N 1 1 323.393 -0.530 10 0 DBAEMO CCS(=O)(=O)NCCCN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408039041 374689477 /nfs/dbraw/zinc/68/94/77/374689477.db2.gz RJFRHWSPSVHSPJ-STQMWFEESA-N 1 1 305.444 -0.279 10 0 DBAEMO CCS(=O)(=O)NCCCN1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408039039 374689754 /nfs/dbraw/zinc/68/97/54/374689754.db2.gz RJFRHWSPSVHSPJ-QWHCGFSZSA-N 1 1 305.444 -0.279 10 0 DBAEMO CC(=O)N1CC[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000408212284 374789648 /nfs/dbraw/zinc/78/96/48/374789648.db2.gz VNWQTMQCCJSJBV-OBJOEFQTSA-N 1 1 312.414 -0.296 10 0 DBAEMO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000408211768 374789685 /nfs/dbraw/zinc/78/96/85/374789685.db2.gz QXJZUKMDICGTLS-OLZOCXBDSA-N 1 1 321.443 -0.660 10 0 DBAEMO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCCO)CC2)[C@@H](C)CO1 ZINC000408211770 374790465 /nfs/dbraw/zinc/79/04/65/374790465.db2.gz QXJZUKMDICGTLS-STQMWFEESA-N 1 1 321.443 -0.660 10 0 DBAEMO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000111229520 374942590 /nfs/dbraw/zinc/94/25/90/374942590.db2.gz FFEGDFXJNSJOCL-LBPRGKRZSA-N 1 1 309.370 -0.064 10 0 DBAEMO CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000111229520 374942595 /nfs/dbraw/zinc/94/25/95/374942595.db2.gz FFEGDFXJNSJOCL-LBPRGKRZSA-N 1 1 309.370 -0.064 10 0 DBAEMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000111229156 374943358 /nfs/dbraw/zinc/94/33/58/374943358.db2.gz FRAIGSMIQXWMCP-LBPRGKRZSA-N 1 1 309.370 -0.331 10 0 DBAEMO CCc1nsc(N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)n1 ZINC000237082784 374948992 /nfs/dbraw/zinc/94/89/92/374948992.db2.gz NFNXPKKGVGWMBL-SNVBAGLBSA-N 1 1 311.411 -0.263 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000113232565 374960767 /nfs/dbraw/zinc/96/07/67/374960767.db2.gz HRMGXWQZXVQUNQ-VXGBXAGGSA-N 1 1 320.397 -0.325 10 0 DBAEMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883967 374911871 /nfs/dbraw/zinc/91/18/71/374911871.db2.gz HWMGGIFPXFWBJF-RYUDHWBXSA-N 1 1 309.370 -0.332 10 0 DBAEMO Cc1conc1NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000119133532 375017027 /nfs/dbraw/zinc/01/70/27/375017027.db2.gz UQZNMUFOJGELBR-WDEREUQCSA-N 1 1 310.354 -0.165 10 0 DBAEMO Cc1conc1NC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000119133532 375017031 /nfs/dbraw/zinc/01/70/31/375017031.db2.gz UQZNMUFOJGELBR-WDEREUQCSA-N 1 1 310.354 -0.165 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCNC(=O)C(C)C)CC1 ZINC000184722360 375236903 /nfs/dbraw/zinc/23/69/03/375236903.db2.gz FAJOKSGXNJRRSB-ZDUSSCGKSA-N 1 1 314.430 -0.143 10 0 DBAEMO Cc1onc(N)c1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000290000253 375195032 /nfs/dbraw/zinc/19/50/32/375195032.db2.gz WPXNQHVXUVMTTA-ZJUUUORDSA-N 1 1 316.383 -0.341 10 0 DBAEMO Cc1onc(N)c1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000290000253 375195038 /nfs/dbraw/zinc/19/50/38/375195038.db2.gz WPXNQHVXUVMTTA-ZJUUUORDSA-N 1 1 316.383 -0.341 10 0 DBAEMO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000172423697 375390150 /nfs/dbraw/zinc/39/01/50/375390150.db2.gz WIXHRVOGLNGHGE-RYUDHWBXSA-N 1 1 304.346 -0.042 10 0 DBAEMO Cn1ncnc1[C@@H]1COCCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000332755217 375407422 /nfs/dbraw/zinc/40/74/22/375407422.db2.gz KQYJTFKETCISOU-RYUDHWBXSA-N 1 1 308.386 -0.008 10 0 DBAEMO CNC(=O)NC(=O)CC[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000171624823 375475805 /nfs/dbraw/zinc/47/58/05/375475805.db2.gz XATNYGUYLULBBC-UHFFFAOYSA-N 1 1 322.413 -0.227 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@@H]1C ZINC000172552954 375482370 /nfs/dbraw/zinc/48/23/70/375482370.db2.gz ASOFAOFBMIPRSH-ZDUSSCGKSA-N 1 1 320.393 -0.010 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@@H]1C ZINC000172552954 375482374 /nfs/dbraw/zinc/48/23/74/375482374.db2.gz ASOFAOFBMIPRSH-ZDUSSCGKSA-N 1 1 320.393 -0.010 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)no1 ZINC000174308157 375491797 /nfs/dbraw/zinc/49/17/97/375491797.db2.gz PZNMFESBQUKNIJ-VHSXEESVSA-N 1 1 310.354 -0.165 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)no1 ZINC000174308157 375491805 /nfs/dbraw/zinc/49/18/05/375491805.db2.gz PZNMFESBQUKNIJ-VHSXEESVSA-N 1 1 310.354 -0.165 10 0 DBAEMO C[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1N1CCOCC1 ZINC000177247974 375506084 /nfs/dbraw/zinc/50/60/84/375506084.db2.gz FHYJXFALIJXBOF-JSGCOSHPSA-N 1 1 322.409 -0.764 10 0 DBAEMO C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1N1CCOCC1 ZINC000177247956 375506338 /nfs/dbraw/zinc/50/63/38/375506338.db2.gz FHYJXFALIJXBOF-OCCSQVGLSA-N 1 1 322.409 -0.764 10 0 DBAEMO COCC[N@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000179510325 375521032 /nfs/dbraw/zinc/52/10/32/375521032.db2.gz QIGUPEGDFLIKPN-LBPRGKRZSA-N 1 1 310.398 -0.764 10 0 DBAEMO COCCN1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000179510325 375521037 /nfs/dbraw/zinc/52/10/37/375521037.db2.gz QIGUPEGDFLIKPN-LBPRGKRZSA-N 1 1 310.398 -0.764 10 0 DBAEMO COCCN1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000179510325 375521040 /nfs/dbraw/zinc/52/10/40/375521040.db2.gz QIGUPEGDFLIKPN-LBPRGKRZSA-N 1 1 310.398 -0.764 10 0 DBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NCCN1CCc2ccccc21 ZINC000185147945 375557647 /nfs/dbraw/zinc/55/76/47/375557647.db2.gz AGWNAZKOOPBLMW-HUUCEWRRSA-N 1 1 319.405 -0.407 10 0 DBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NCCN1CCc2ccccc21 ZINC000185147945 375557654 /nfs/dbraw/zinc/55/76/54/375557654.db2.gz AGWNAZKOOPBLMW-HUUCEWRRSA-N 1 1 319.405 -0.407 10 0 DBAEMO Cn1ncc(Br)c1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000638876645 378151280 /nfs/dbraw/zinc/15/12/80/378151280.db2.gz NGJZYMSTJBOCOO-MRVPVSSYSA-N 1 1 303.160 -0.213 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@@H]1C ZINC000328785721 378186330 /nfs/dbraw/zinc/18/63/30/378186330.db2.gz OIKLYTAFFINAOK-SRVKXCTJSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@@H]1C ZINC000328785721 378186334 /nfs/dbraw/zinc/18/63/34/378186334.db2.gz OIKLYTAFFINAOK-SRVKXCTJSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1C ZINC000328785718 378187108 /nfs/dbraw/zinc/18/71/08/378187108.db2.gz OIKLYTAFFINAOK-GRYCIOLGSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1C ZINC000328785718 378187115 /nfs/dbraw/zinc/18/71/15/378187115.db2.gz OIKLYTAFFINAOK-GRYCIOLGSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[NH+]1CCN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)CC1 ZINC000163015245 378305963 /nfs/dbraw/zinc/30/59/63/378305963.db2.gz DFFRHXPXSVEDGY-HNNXBMFYSA-N 1 1 316.405 -0.327 10 0 DBAEMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000113517057 378388060 /nfs/dbraw/zinc/38/80/60/378388060.db2.gz YONHBIFFFUVWOU-WOPDTQHZSA-N 1 1 306.428 -0.277 10 0 DBAEMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000113517057 378388068 /nfs/dbraw/zinc/38/80/68/378388068.db2.gz YONHBIFFFUVWOU-WOPDTQHZSA-N 1 1 306.428 -0.277 10 0 DBAEMO C[C@H](C(=O)N1CCC[C@H]1Cn1ccnn1)N1CC[NH+](C)CC1 ZINC000329198179 378465262 /nfs/dbraw/zinc/46/52/62/378465262.db2.gz UOBDQMKNIIQICA-KGLIPLIRSA-N 1 1 306.414 -0.095 10 0 DBAEMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000608479312 378431821 /nfs/dbraw/zinc/43/18/21/378431821.db2.gz QVZFCSGWZIQDCE-PBHICJAKSA-N 1 1 317.389 -0.124 10 0 DBAEMO CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000329561270 378491664 /nfs/dbraw/zinc/49/16/64/378491664.db2.gz RKDCZYFSZZEEHF-STQMWFEESA-N 1 1 322.409 -0.628 10 0 DBAEMO Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)n1 ZINC000329957703 378516355 /nfs/dbraw/zinc/51/63/55/378516355.db2.gz PNDBQPCFHCBQDW-KGLIPLIRSA-N 1 1 323.397 -0.547 10 0 DBAEMO Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)n1 ZINC000329957703 378516361 /nfs/dbraw/zinc/51/63/61/378516361.db2.gz PNDBQPCFHCBQDW-KGLIPLIRSA-N 1 1 323.397 -0.547 10 0 DBAEMO Nc1ncnc2c1ncn2CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000264454119 378567658 /nfs/dbraw/zinc/56/76/58/378567658.db2.gz TVPKKEWEGUCQSJ-JTQLQIEISA-N 1 1 301.354 -0.285 10 0 DBAEMO CCc1noc([C@H](C)N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)n1 ZINC000168125707 378592781 /nfs/dbraw/zinc/59/27/81/378592781.db2.gz ZHLDCHAJSZPDIV-NWDGAFQWSA-N 1 1 323.397 -0.174 10 0 DBAEMO Cc1noc([C@H](C)N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)n1 ZINC000168103250 378593061 /nfs/dbraw/zinc/59/30/61/378593061.db2.gz AIHAPINAXZJJEG-CMPLNLGQSA-N 1 1 309.370 -0.428 10 0 DBAEMO CCc1noc([C@@H](C)N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)n1 ZINC000168125593 378593359 /nfs/dbraw/zinc/59/33/59/378593359.db2.gz ZHLDCHAJSZPDIV-VXGBXAGGSA-N 1 1 323.397 -0.174 10 0 DBAEMO CC[C@H]1CN(C(=O)Cn2nc(C)oc2=O)CC[N@H+]1CCOC ZINC000639778318 378689012 /nfs/dbraw/zinc/68/90/12/378689012.db2.gz LOJGJTHBCKRRNC-LBPRGKRZSA-N 1 1 312.370 -0.286 10 0 DBAEMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000119278205 379611090 /nfs/dbraw/zinc/61/10/90/379611090.db2.gz YKHKSXQTFNGIMU-ZYHUDNBSSA-N 1 1 306.370 -0.680 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCN1C[C@@H](C)O ZINC000368251548 379685774 /nfs/dbraw/zinc/68/57/74/379685774.db2.gz GEUAXVNVLKDSHH-OAGGEKHMSA-N 1 1 324.469 -0.320 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCN1C[C@@H](C)O ZINC000368251548 379685783 /nfs/dbraw/zinc/68/57/83/379685783.db2.gz GEUAXVNVLKDSHH-OAGGEKHMSA-N 1 1 324.469 -0.320 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCN1C[C@@H](C)O ZINC000368251546 379686167 /nfs/dbraw/zinc/68/61/67/379686167.db2.gz GEUAXVNVLKDSHH-BZUAXINKSA-N 1 1 324.469 -0.320 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCN1C[C@@H](C)O ZINC000368251546 379686168 /nfs/dbraw/zinc/68/61/68/379686168.db2.gz GEUAXVNVLKDSHH-BZUAXINKSA-N 1 1 324.469 -0.320 10 0 DBAEMO CNC(=O)NC(=O)CC[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000171624737 379690213 /nfs/dbraw/zinc/69/02/13/379690213.db2.gz AJYGSIPLKRSANL-UHFFFAOYSA-N 1 1 324.385 -0.269 10 0 DBAEMO O=C(CN1CC[N@H+]2CCC[C@@H]2C1)N1CCN(C(=O)C2CC2)CC1 ZINC000171638820 379695485 /nfs/dbraw/zinc/69/54/85/379695485.db2.gz BTNKJGYVMINIAL-OAHLLOKOSA-N 1 1 320.437 -0.153 10 0 DBAEMO CNC(=O)CN1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171901257 379697580 /nfs/dbraw/zinc/69/75/80/379697580.db2.gz UIRUOQJCRMCSIY-AWEZNQCLSA-N 1 1 323.441 -0.314 10 0 DBAEMO C[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(=O)N(C)C ZINC000175682069 379714924 /nfs/dbraw/zinc/71/49/24/379714924.db2.gz MBPVACDHYGRVQX-AGIUHOORSA-N 1 1 312.414 -0.175 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ncn(CC(=O)N(C)C)n2)C1 ZINC000175928962 379717294 /nfs/dbraw/zinc/71/72/94/379717294.db2.gz HBGHWQDBXMBXJY-NSHDSACASA-N 1 1 323.401 -0.028 10 0 DBAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000177207543 379724727 /nfs/dbraw/zinc/72/47/27/379724727.db2.gz SFSPFLYKUFKCEJ-LLVKDONJSA-N 1 1 317.353 -0.427 10 0 DBAEMO C[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000177260318 379726177 /nfs/dbraw/zinc/72/61/77/379726177.db2.gz GAPGBKLKLVHDEP-CABCVRRESA-N 1 1 311.426 -0.112 10 0 DBAEMO CNC(=O)[C@@H]1CN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CCO1 ZINC000181669547 379750110 /nfs/dbraw/zinc/75/01/10/379750110.db2.gz KIGXGFQPCNMOAZ-AGIUHOORSA-N 1 1 312.414 -0.129 10 0 DBAEMO CC(=O)N1CSC[C@H]1C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181369485 379750255 /nfs/dbraw/zinc/75/02/55/379750255.db2.gz ZULHGWFGZPWWAB-STQMWFEESA-N 1 1 323.422 -0.186 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(c3ccnn3CCO)CC2)C1 ZINC000181918483 379752350 /nfs/dbraw/zinc/75/23/50/379752350.db2.gz IJKRAGBLRJOSBV-HNNXBMFYSA-N 1 1 322.409 -0.088 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N2CCC(c3ccnn3CCO)CC2)C1 ZINC000181918483 379752356 /nfs/dbraw/zinc/75/23/56/379752356.db2.gz IJKRAGBLRJOSBV-HNNXBMFYSA-N 1 1 322.409 -0.088 10 0 DBAEMO CCN(CC)S(=O)(=O)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000174663692 379710519 /nfs/dbraw/zinc/71/05/19/379710519.db2.gz VTTDMVKSFMCXDC-GFCCVEGCSA-N 1 1 303.428 -0.035 10 0 DBAEMO CC(C)C(=O)NCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185244652 379760309 /nfs/dbraw/zinc/76/03/09/379760309.db2.gz UWBXHSLUBDRPIM-QWHCGFSZSA-N 1 1 314.430 -0.145 10 0 DBAEMO CCN(C)C(=O)CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000186209611 379764582 /nfs/dbraw/zinc/76/45/82/379764582.db2.gz ZSDZPPHXDIJCOP-STQMWFEESA-N 1 1 312.414 -0.173 10 0 DBAEMO Cc1cc(N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)n[nH]1 ZINC000187206511 379766949 /nfs/dbraw/zinc/76/69/49/379766949.db2.gz VSQJGHAXIRRFPH-UHFFFAOYSA-N 1 1 306.370 -0.218 10 0 DBAEMO COCCC[N@@H+](C)CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187286136 379767054 /nfs/dbraw/zinc/76/70/54/379767054.db2.gz HKPLACONZKWPDW-UHFFFAOYSA-N 1 1 312.414 -0.125 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@H]1C ZINC000186760105 379767285 /nfs/dbraw/zinc/76/72/85/379767285.db2.gz JVQFABMZFQCMQB-VXGBXAGGSA-N 1 1 312.414 -0.391 10 0 DBAEMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000133105396 379913087 /nfs/dbraw/zinc/91/30/87/379913087.db2.gz QEVGCNASLGCFMR-ZDUSSCGKSA-N 1 1 305.444 -0.278 10 0 DBAEMO O=C(C[NH+]1CCC(Nc2cccnn2)CC1)N1CCNC(=O)C1 ZINC000105804951 379874095 /nfs/dbraw/zinc/87/40/95/379874095.db2.gz LOGZSPCXHQIFKN-UHFFFAOYSA-N 1 1 318.381 -0.689 10 0 DBAEMO O=C(NCCC[NH+]1CCOCC1)N[C@H]1CCc2ncnn2C1 ZINC000112739489 379879889 /nfs/dbraw/zinc/87/98/89/379879889.db2.gz MWTKVCVGSXQAIH-LBPRGKRZSA-N 1 1 308.386 -0.386 10 0 DBAEMO O=S(=O)(c1cncc(F)c1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404159318 379903355 /nfs/dbraw/zinc/90/33/55/379903355.db2.gz PVMKNXLVTVOQSC-VXGBXAGGSA-N 1 1 301.343 -0.028 10 0 DBAEMO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)nn1 ZINC000195317919 379932536 /nfs/dbraw/zinc/93/25/36/379932536.db2.gz XZEZCSGFMBZEAX-LBPRGKRZSA-N 1 1 320.397 -0.323 10 0 DBAEMO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)nn1 ZINC000195317919 379932543 /nfs/dbraw/zinc/93/25/43/379932543.db2.gz XZEZCSGFMBZEAX-LBPRGKRZSA-N 1 1 320.397 -0.323 10 0 DBAEMO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000246104521 380075131 /nfs/dbraw/zinc/07/51/31/380075131.db2.gz ITRBECALLRCPCM-AGIUHOORSA-N 1 1 310.398 -0.421 10 0 DBAEMO CCCNC(=O)NC(=O)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000247217382 380102408 /nfs/dbraw/zinc/10/24/08/380102408.db2.gz QFBFWGSWDRTCRS-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO CCCNC(=O)NC(=O)CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000247217382 380102419 /nfs/dbraw/zinc/10/24/19/380102419.db2.gz QFBFWGSWDRTCRS-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO CC[C@H]1CN(CCCN2C(=O)CNC2=O)CC[N@H+]1C[C@H](C)O ZINC000247197583 380103021 /nfs/dbraw/zinc/10/30/21/380103021.db2.gz OTCCTNJUJODUFP-STQMWFEESA-N 1 1 312.414 -0.295 10 0 DBAEMO CC[C@H]1CN(CC(=O)NCCCOC)CC[N@H+]1C[C@H](C)O ZINC000247002519 380103324 /nfs/dbraw/zinc/10/33/24/380103324.db2.gz BOYYCNKAPMEGDB-KBPBESRZSA-N 1 1 301.431 -0.084 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000247215156 380103667 /nfs/dbraw/zinc/10/36/67/380103667.db2.gz UYAVYQLBNXJUFQ-KBPBESRZSA-N 1 1 314.430 -0.321 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNS(C)(=O)=O ZINC000247466092 380105437 /nfs/dbraw/zinc/10/54/37/380105437.db2.gz RGUBMRYVWGRCFU-QWRGUYRKSA-N 1 1 304.416 -0.586 10 0 DBAEMO CC(=O)NCCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248647690 380109883 /nfs/dbraw/zinc/10/98/83/380109883.db2.gz TUTGJOAOJLNKBX-RYUDHWBXSA-N 1 1 300.403 -0.391 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249168403 380113316 /nfs/dbraw/zinc/11/33/16/380113316.db2.gz KRQRHDNDRLYOKJ-MNOVXSKESA-N 1 1 304.416 -0.586 10 0 DBAEMO CCCn1c2c([nH]c1=NN1CC[NH+](C)CC1)n(C)c(=O)[nH]c2=O ZINC000170624221 380819324 /nfs/dbraw/zinc/81/93/24/380819324.db2.gz WSVYSYKHSKOGDJ-UHFFFAOYSA-N 1 1 321.385 -0.592 10 0 DBAEMO CC[C@@H]1CN(C(=O)NCCC(=O)N(C)C)CC[N@H+]1C[C@H](C)O ZINC000248452757 381598483 /nfs/dbraw/zinc/59/84/83/381598483.db2.gz KQPUKPBIWHQJFW-QWHCGFSZSA-N 1 1 314.430 -0.049 10 0 DBAEMO CC[C@H]1CN(C(=O)NCCC(=O)N(C)C)CC[N@H+]1C[C@H](C)O ZINC000248452762 381596921 /nfs/dbraw/zinc/59/69/21/381596921.db2.gz KQPUKPBIWHQJFW-STQMWFEESA-N 1 1 314.430 -0.049 10 0 DBAEMO CC(C)N1CCO[C@@H](CN2CCN(C(=O)C[NH2+]C3CC3)CC2)C1 ZINC000154681515 381690671 /nfs/dbraw/zinc/69/06/71/381690671.db2.gz PAVXBEXKMAXIRL-INIZCTEOSA-N 1 1 324.469 -0.008 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NCCC(=O)N(C)C)C[C@H]1C ZINC000172327137 381893475 /nfs/dbraw/zinc/89/34/75/381893475.db2.gz GCNFAUHPDUPYMU-GFCCVEGCSA-N 1 1 300.403 -0.173 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NCCC(=O)N(C)C)C[C@H]1C ZINC000172327137 381893481 /nfs/dbraw/zinc/89/34/81/381893481.db2.gz GCNFAUHPDUPYMU-GFCCVEGCSA-N 1 1 300.403 -0.173 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000182154303 382075891 /nfs/dbraw/zinc/07/58/91/382075891.db2.gz SKMUKLHYUAIHDR-ZDUSSCGKSA-N 1 1 312.414 -0.389 10 0 DBAEMO C[N@@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@@H]2O)c1 ZINC000106387037 382352576 /nfs/dbraw/zinc/35/25/76/382352576.db2.gz IBRSYETXOXCCLW-NZBPQXDJSA-O 1 1 321.353 -0.040 10 0 DBAEMO C[N@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@@H]2O)c1 ZINC000106387037 382352581 /nfs/dbraw/zinc/35/25/81/382352581.db2.gz IBRSYETXOXCCLW-NZBPQXDJSA-O 1 1 321.353 -0.040 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404169054 382405407 /nfs/dbraw/zinc/40/54/07/382405407.db2.gz UYICSAVLKUROPY-GHMZBOCLSA-N 1 1 300.384 -0.346 10 0 DBAEMO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404134816 382405791 /nfs/dbraw/zinc/40/57/91/382405791.db2.gz WOMBOQIIIPJWNU-ZJUUUORDSA-N 1 1 320.802 -0.175 10 0 DBAEMO C[N@@H+](CC1CC1)C[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC000328629032 382583492 /nfs/dbraw/zinc/58/34/92/382583492.db2.gz HUSUUIVGAHRXNQ-GFCCVEGCSA-N 1 1 304.412 -0.400 10 0 DBAEMO C[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)CO1 ZINC000245618312 382688454 /nfs/dbraw/zinc/68/84/54/382688454.db2.gz ZETCSBUBINXATO-WDEREUQCSA-N 1 1 321.381 -0.457 10 0 DBAEMO C[C@@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)CO1 ZINC000245618312 382688455 /nfs/dbraw/zinc/68/84/55/382688455.db2.gz ZETCSBUBINXATO-WDEREUQCSA-N 1 1 321.381 -0.457 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000246581383 382695640 /nfs/dbraw/zinc/69/56/40/382695640.db2.gz ABLMNKJBKNVDFD-FRRDWIJNSA-N 1 1 312.414 -0.309 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000246581383 382695641 /nfs/dbraw/zinc/69/56/41/382695641.db2.gz ABLMNKJBKNVDFD-FRRDWIJNSA-N 1 1 312.414 -0.309 10 0 DBAEMO OCC[N@H+]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 ZINC000131553724 285259880 /nfs/dbraw/zinc/25/98/80/285259880.db2.gz DMFVYEWGRMLRBR-CQSZACIVSA-N 1 1 321.425 -0.058 10 0 DBAEMO Cn1cc(C[N@H+]2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)cn1 ZINC000248085546 257110023 /nfs/dbraw/zinc/11/00/23/257110023.db2.gz BDDGSUWJOAYXJR-UPJWGTAASA-N 1 1 314.411 -0.584 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000177615779 391937216 /nfs/dbraw/zinc/93/72/16/391937216.db2.gz XOZXANAOYUHPNH-NEPJUHHUSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000177615779 391937223 /nfs/dbraw/zinc/93/72/23/391937223.db2.gz XOZXANAOYUHPNH-NEPJUHHUSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000193685683 391961781 /nfs/dbraw/zinc/96/17/81/391961781.db2.gz PUYIKYZQLRAJID-SBDDDAINSA-N 1 1 320.393 -0.302 10 0 DBAEMO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000370788659 391967668 /nfs/dbraw/zinc/96/76/68/391967668.db2.gz SUZUQCODISMDEJ-RYUDHWBXSA-N 1 1 319.427 -0.754 10 0 DBAEMO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000370788659 391967680 /nfs/dbraw/zinc/96/76/80/391967680.db2.gz SUZUQCODISMDEJ-RYUDHWBXSA-N 1 1 319.427 -0.754 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000376121092 392018292 /nfs/dbraw/zinc/01/82/92/392018292.db2.gz YNYCCOSUVRFVPM-IJLUTSLNSA-N 1 1 303.428 -0.181 10 0 DBAEMO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195328592 392023004 /nfs/dbraw/zinc/02/30/04/392023004.db2.gz OUHNEEMCTWSZGJ-NEPJUHHUSA-N 1 1 301.412 -0.283 10 0 DBAEMO CN(C)c1nc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cc[nH+]1 ZINC000153775608 392131569 /nfs/dbraw/zinc/13/15/69/392131569.db2.gz JTIVAZPPNRPIRC-NSHDSACASA-N 1 1 318.381 -0.673 10 0 DBAEMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)n(C)n1 ZINC000285715377 131195458 /nfs/dbraw/zinc/19/54/58/131195458.db2.gz CFPBQXHPUGBEOD-IAQYHMDHSA-N 1 1 321.381 -0.854 10 0 DBAEMO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)n(C)n1 ZINC000285715377 131195460 /nfs/dbraw/zinc/19/54/60/131195460.db2.gz CFPBQXHPUGBEOD-IAQYHMDHSA-N 1 1 321.381 -0.854 10 0 DBAEMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)n(C)n1 ZINC000285715380 131195592 /nfs/dbraw/zinc/19/55/92/131195592.db2.gz CFPBQXHPUGBEOD-NHYWBVRUSA-N 1 1 321.381 -0.854 10 0 DBAEMO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)n(C)n1 ZINC000285715380 131195593 /nfs/dbraw/zinc/19/55/93/131195593.db2.gz CFPBQXHPUGBEOD-NHYWBVRUSA-N 1 1 321.381 -0.854 10 0 DBAEMO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286326556 131230443 /nfs/dbraw/zinc/23/04/43/131230443.db2.gz WGCBFSADCICLLI-MRXNPFEDSA-N 1 1 305.378 -0.077 10 0 DBAEMO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286326556 131230445 /nfs/dbraw/zinc/23/04/45/131230445.db2.gz WGCBFSADCICLLI-MRXNPFEDSA-N 1 1 305.378 -0.077 10 0 DBAEMO CNC(=O)[C@H](NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000178436413 392676086 /nfs/dbraw/zinc/67/60/86/392676086.db2.gz YCVLGDSIGVAPJU-CHWSQXEVSA-N 1 1 313.446 -0.308 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408030022 392687903 /nfs/dbraw/zinc/68/79/03/392687903.db2.gz XDWWEQHSCYNYQR-WOPDTQHZSA-N 1 1 319.427 -0.802 10 0 DBAEMO CNS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000407951773 392663250 /nfs/dbraw/zinc/66/32/50/392663250.db2.gz TYZFGUXDCMTELB-CHWSQXEVSA-N 1 1 305.444 -0.422 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[N@@H+](C)C1 ZINC000408045163 392754976 /nfs/dbraw/zinc/75/49/76/392754976.db2.gz DFKQXRPMLMNYGD-SRVKXCTJSA-N 1 1 319.427 -0.802 10 0 DBAEMO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1CC(C)(C)O ZINC000408160353 392817180 /nfs/dbraw/zinc/81/71/80/392817180.db2.gz IYNKMWMNVLKKJU-WOPDTQHZSA-N 1 1 313.398 -0.677 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC)c2)CC1 ZINC000189461387 393048965 /nfs/dbraw/zinc/04/89/65/393048965.db2.gz PAFJQGAMKXPFLT-CYBMUJFWSA-N 1 1 323.397 -0.243 10 0 DBAEMO CN1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000191076065 393496079 /nfs/dbraw/zinc/49/60/79/393496079.db2.gz QORAVBDRZFVGLH-GFCCVEGCSA-N 1 1 303.428 -0.178 10 0 DBAEMO CN1CCC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000191076065 393496088 /nfs/dbraw/zinc/49/60/88/393496088.db2.gz QORAVBDRZFVGLH-GFCCVEGCSA-N 1 1 303.428 -0.178 10 0 DBAEMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000246835110 393593350 /nfs/dbraw/zinc/59/33/50/393593350.db2.gz DBGLWXNHTRUGPL-QWRGUYRKSA-N 1 1 310.441 -0.471 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000246835110 393593355 /nfs/dbraw/zinc/59/33/55/393593355.db2.gz DBGLWXNHTRUGPL-QWRGUYRKSA-N 1 1 310.441 -0.471 10 0 DBAEMO C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000123430423 411882932 /nfs/dbraw/zinc/88/29/32/411882932.db2.gz STTQVQFWYKMEHU-SBFPOUOMSA-N 1 1 310.398 -0.104 10 0 DBAEMO Cn1cc(CN2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)cn1 ZINC000328673673 544432595 /nfs/dbraw/zinc/43/25/95/544432595.db2.gz PJMLQWVXKAEVRG-HNNXBMFYSA-N 1 1 321.425 -0.479 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)[N@@H+](C)C1 ZINC000328934384 544455752 /nfs/dbraw/zinc/45/57/52/544455752.db2.gz FEIJYOBAXLXPNA-AJNGGQMLSA-N 1 1 322.409 -0.327 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC000329188659 544477294 /nfs/dbraw/zinc/47/72/94/544477294.db2.gz REAURHUORJKOLS-LBPRGKRZSA-N 1 1 311.382 -0.559 10 0 DBAEMO CC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[N@H+]1C[C@H](C)O ZINC000329220284 544477496 /nfs/dbraw/zinc/47/74/96/544477496.db2.gz SXUWFQNJQOTKND-QWRGUYRKSA-N 1 1 312.370 -0.318 10 0 DBAEMO CC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[N@H+]1C[C@@H](C)O ZINC000329220283 544477755 /nfs/dbraw/zinc/47/77/55/544477755.db2.gz SXUWFQNJQOTKND-MNOVXSKESA-N 1 1 312.370 -0.318 10 0 DBAEMO C[C@@H]1CN(C(=O)Cn2cccnc2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000329754731 544488311 /nfs/dbraw/zinc/48/83/11/544488311.db2.gz XNYGPNPCQWSLSR-OLZOCXBDSA-N 1 1 306.366 -0.578 10 0 DBAEMO CC[C@H]1CN(C(=O)Cc2cnnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000669317918 544551369 /nfs/dbraw/zinc/55/13/69/544551369.db2.gz AOKIDOMCPLKBPA-JSGCOSHPSA-N 1 1 307.398 -0.073 10 0 DBAEMO CNC(=O)[C@@H]1CCCN1C(=O)NCCC[N@@H+](C)CCOC ZINC000156126109 544682023 /nfs/dbraw/zinc/68/20/23/544682023.db2.gz YJRIVUSOJQIENG-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO CNC(=O)[C@H]1CCCN1C(=O)NCC[N@@H+](C)CCCOC ZINC000159066150 544693908 /nfs/dbraw/zinc/69/39/08/544693908.db2.gz PSTXLLDYPJRWNE-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1 ZINC000189473312 276443546 /nfs/dbraw/zinc/44/35/46/276443546.db2.gz JKRPSJPYTRWQCA-GFCCVEGCSA-N 1 1 309.370 -0.726 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@H]2C1 ZINC000328989895 277151776 /nfs/dbraw/zinc/15/17/76/277151776.db2.gz CTNJGSZPCNYEGI-BPNCWPANSA-N 1 1 305.382 -0.159 10 0 DBAEMO Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)n1 ZINC000329957704 279079809 /nfs/dbraw/zinc/07/98/09/279079809.db2.gz PNDBQPCFHCBQDW-UONOGXRCSA-N 1 1 323.397 -0.547 10 0 DBAEMO Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)n1 ZINC000329957704 279079814 /nfs/dbraw/zinc/07/98/14/279079814.db2.gz PNDBQPCFHCBQDW-UONOGXRCSA-N 1 1 323.397 -0.547 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCc2nncn2C1 ZINC000329416747 279113455 /nfs/dbraw/zinc/11/34/55/279113455.db2.gz DGRUKSRVCVYTEK-FRRDWIJNSA-N 1 1 307.398 -0.246 10 0 DBAEMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408217872 297100937 /nfs/dbraw/zinc/10/09/37/297100937.db2.gz GGCCSSYEZOAHQL-NEPJUHHUSA-N 1 1 324.468 -0.081 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408217872 297100939 /nfs/dbraw/zinc/10/09/39/297100939.db2.gz GGCCSSYEZOAHQL-NEPJUHHUSA-N 1 1 324.468 -0.081 10 0 DBAEMO C[C@@](O)(CNC(=O)[C@@H]1CCCCC(=O)N1)C[NH+]1CCOCC1 ZINC000333282660 297851857 /nfs/dbraw/zinc/85/18/57/297851857.db2.gz JVRAIAACMUGCDN-SWLSCSKDSA-N 1 1 313.398 -0.755 10 0 DBAEMO CCCCN(c1nc(N)nc(N)[nH+]1)[C@@H](C)c1nc(N)nc(N)n1 ZINC000584659343 337378164 /nfs/dbraw/zinc/37/81/64/337378164.db2.gz FYFAUIFNZWJBLE-LURJTMIESA-N 1 1 319.377 -0.925 10 0 DBAEMO CCCCN(c1nc(N)nc(N)[nH+]1)[C@H](C)c1nc(N)nc(N)n1 ZINC000584659344 337378200 /nfs/dbraw/zinc/37/82/00/337378200.db2.gz FYFAUIFNZWJBLE-ZCFIWIBFSA-N 1 1 319.377 -0.925 10 0 DBAEMO CCNC(=O)NC(=O)CN1CC[N@H+](CCOCC)[C@H](C)C1 ZINC000105834457 521740925 /nfs/dbraw/zinc/74/09/25/521740925.db2.gz XLGPFPMCDCNMJW-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO CCNC(=O)NC(=O)CN1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000105834457 521740926 /nfs/dbraw/zinc/74/09/26/521740926.db2.gz XLGPFPMCDCNMJW-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO CN(C)c1nccc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000333865475 522362262 /nfs/dbraw/zinc/36/22/62/522362262.db2.gz ATHXGINDOXJJFF-LBPRGKRZSA-N 1 1 304.398 -0.057 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000189456429 522995645 /nfs/dbraw/zinc/99/56/45/522995645.db2.gz ZGVNELWNOLIXBQ-LLVKDONJSA-N 1 1 309.370 -0.726 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+]1CCOC ZINC000157175950 523214494 /nfs/dbraw/zinc/21/44/94/523214494.db2.gz FJMMELGCZHLWTJ-ZDUSSCGKSA-N 1 1 323.397 -0.072 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+]1CCOC ZINC000157175950 523214505 /nfs/dbraw/zinc/21/45/05/523214505.db2.gz FJMMELGCZHLWTJ-ZDUSSCGKSA-N 1 1 323.397 -0.072 10 0 DBAEMO COCCN1CC[N@@H+](C[C@H](O)CN2CCOCC2)C[C@@H]1C ZINC000105902865 523853888 /nfs/dbraw/zinc/85/38/88/523853888.db2.gz NYQOQDQULITFIT-LSDHHAIUSA-N 1 1 301.431 -0.668 10 0 DBAEMO COCC[N@@H+]1CCN(C[C@H](O)CN2CCOCC2)C[C@@H]1C ZINC000105902865 523853892 /nfs/dbraw/zinc/85/38/92/523853892.db2.gz NYQOQDQULITFIT-LSDHHAIUSA-N 1 1 301.431 -0.668 10 0 DBAEMO COCC[N@H+]1CCN(C[C@H](O)CN2CCOCC2)C[C@@H]1C ZINC000105902865 523853897 /nfs/dbraw/zinc/85/38/97/523853897.db2.gz NYQOQDQULITFIT-LSDHHAIUSA-N 1 1 301.431 -0.668 10 0 DBAEMO COCCN1CC[N@@H+](C[C@H](O)CN2CCOCC2)C[C@H]1C ZINC000105902862 523854350 /nfs/dbraw/zinc/85/43/50/523854350.db2.gz NYQOQDQULITFIT-HUUCEWRRSA-N 1 1 301.431 -0.668 10 0 DBAEMO COCC[N@@H+]1CCN(C[C@H](O)CN2CCOCC2)C[C@H]1C ZINC000105902862 523854353 /nfs/dbraw/zinc/85/43/53/523854353.db2.gz NYQOQDQULITFIT-HUUCEWRRSA-N 1 1 301.431 -0.668 10 0 DBAEMO COCC[N@H+]1CCN(C[C@H](O)CN2CCOCC2)C[C@H]1C ZINC000105902862 523854357 /nfs/dbraw/zinc/85/43/57/523854357.db2.gz NYQOQDQULITFIT-HUUCEWRRSA-N 1 1 301.431 -0.668 10 0 DBAEMO C[C@@H]1CN(C(=O)NCCNC(=O)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175626693 524811822 /nfs/dbraw/zinc/81/18/22/524811822.db2.gz GCSWHWYPECFENK-OCCSQVGLSA-N 1 1 324.425 -0.125 10 0 DBAEMO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)C[C@H]1[NH+]1CCOCC1 ZINC000246104544 524825869 /nfs/dbraw/zinc/82/58/69/524825869.db2.gz ITRBECALLRCPCM-FRRDWIJNSA-N 1 1 310.398 -0.421 10 0 DBAEMO C[C@@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H](C)[N@@H+]1C ZINC000333576986 524827702 /nfs/dbraw/zinc/82/77/02/524827702.db2.gz ZEAYNLDVMHGQPD-QNWHQSFQSA-N 1 1 308.386 -0.048 10 0 DBAEMO Cc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2=O)o1 ZINC000364143801 524963755 /nfs/dbraw/zinc/96/37/55/524963755.db2.gz BLSPUSGVMRSVNL-AWEZNQCLSA-N 1 1 323.393 -0.070 10 0 DBAEMO Cc1ccnc2nc(C(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)nn21 ZINC000266236582 525718608 /nfs/dbraw/zinc/71/86/08/525718608.db2.gz OWHXAFBRMXZDNH-NEPJUHHUSA-N 1 1 318.381 -0.040 10 0 DBAEMO Cc1ccnc2nc(C(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)nn21 ZINC000266236582 525718619 /nfs/dbraw/zinc/71/86/19/525718619.db2.gz OWHXAFBRMXZDNH-NEPJUHHUSA-N 1 1 318.381 -0.040 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC000182785438 525793530 /nfs/dbraw/zinc/79/35/30/525793530.db2.gz XTJWIDBEZHWIDS-GHMZBOCLSA-N 1 1 318.381 -0.110 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC000182785438 525793532 /nfs/dbraw/zinc/79/35/32/525793532.db2.gz XTJWIDBEZHWIDS-GHMZBOCLSA-N 1 1 318.381 -0.110 10 0 DBAEMO O=C(CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CCOCC1 ZINC000181858768 526836335 /nfs/dbraw/zinc/83/63/35/526836335.db2.gz RAQKEJAHDCEDOL-CYBMUJFWSA-N 1 1 310.398 -0.275 10 0 DBAEMO O=C1C[NH2+]CCN1[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000333926476 527011786 /nfs/dbraw/zinc/01/17/86/527011786.db2.gz VLKCUMCGUNNEFD-JTQLQIEISA-N 1 1 301.354 -0.247 10 0 DBAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Cn2cn[nH]c2=O)CC1 ZINC000156511304 527428001 /nfs/dbraw/zinc/42/80/01/527428001.db2.gz BZUTYBACLOSDNZ-UHFFFAOYSA-N 1 1 304.354 -0.214 10 0 DBAEMO CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173940633 529130267 /nfs/dbraw/zinc/13/02/67/529130267.db2.gz AQWVTWCEJXGYPB-CVEARBPZSA-N 1 1 324.469 -0.055 10 0 DBAEMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173940642 529132308 /nfs/dbraw/zinc/13/23/08/529132308.db2.gz AQWVTWCEJXGYPB-HOTGVXAUSA-N 1 1 324.469 -0.055 10 0 DBAEMO CC[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000408430761 535867675 /nfs/dbraw/zinc/86/76/75/535867675.db2.gz XYVVIPKFJAQZMP-QWHCGFSZSA-N 1 1 321.443 -0.660 10 0 DBAEMO CC[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000408430761 535867678 /nfs/dbraw/zinc/86/76/78/535867678.db2.gz XYVVIPKFJAQZMP-QWHCGFSZSA-N 1 1 321.443 -0.660 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC000408065717 536467984 /nfs/dbraw/zinc/46/79/84/536467984.db2.gz PYMLZTBIAZVNRG-NEPJUHHUSA-N 1 1 324.381 -0.750 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[N@@H+](C)C1 ZINC000408026535 563500355 /nfs/dbraw/zinc/50/03/55/563500355.db2.gz HURSKCASQWKTBS-STQMWFEESA-N 1 1 305.382 -0.156 10 0 DBAEMO Cc1noc(C[C@]2(O)CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000888076908 664393405 /nfs/dbraw/zinc/39/34/05/664393405.db2.gz XFUPYDSFFMNGED-OAHLLOKOSA-N 1 1 324.381 -0.394 10 0 DBAEMO Cc1noc(C[C@]2(O)CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000888076908 664393410 /nfs/dbraw/zinc/39/34/10/664393410.db2.gz XFUPYDSFFMNGED-OAHLLOKOSA-N 1 1 324.381 -0.394 10 0 DBAEMO O=C(CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)N1CCOCC1 ZINC000329152031 665130368 /nfs/dbraw/zinc/13/03/68/665130368.db2.gz BCSLPQAVALVANJ-NWDGAFQWSA-N 1 1 302.396 -0.646 10 0 DBAEMO O=C(CCN1C(=O)CCC1=O)NCC1(C[NH+]2CCOCC2)CC1 ZINC000223570828 674818725 /nfs/dbraw/zinc/81/87/25/674818725.db2.gz RSWAFWPDSOUROU-UHFFFAOYSA-N 1 1 323.393 -0.246 10 0 DBAEMO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC[NH+](C)C ZINC000192519018 672483747 /nfs/dbraw/zinc/48/37/47/672483747.db2.gz AEMGRYRPPLACPN-JTQLQIEISA-N 1 1 324.406 -0.209 10 0 DBAEMO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000408209776 282124563 /nfs/dbraw/zinc/12/45/63/282124563.db2.gz DVPBSQKSRPJDBD-NWDGAFQWSA-N 1 1 319.427 -0.464 10 0 DBAEMO CCCn1c(C[NH3+])nnc1S[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000071375483 190963552 /nfs/dbraw/zinc/96/35/52/190963552.db2.gz WMFABGADQBEXJU-HTQZYQBOSA-N 1 1 306.413 -0.603 10 0 DBAEMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(n3cc(C(C)(C)O)nn3)C2)C1 ZINC000374801794 138178512 /nfs/dbraw/zinc/17/85/12/138178512.db2.gz OVUWBVXDIVXGID-GFCCVEGCSA-N 1 1 323.397 -0.391 10 0 DBAEMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(n3cc(C(C)(C)O)nn3)C2)C1 ZINC000374801794 138178513 /nfs/dbraw/zinc/17/85/13/138178513.db2.gz OVUWBVXDIVXGID-GFCCVEGCSA-N 1 1 323.397 -0.391 10 0 DBAEMO OC[C@H]1C[C@H](F)C[N@@H+]1CC1(CN2C[C@@H](F)C[C@H]2CO)COC1 ZINC000372598759 138168419 /nfs/dbraw/zinc/16/84/19/138168419.db2.gz DQJIKTSZTQZCGC-XDQVBPFNSA-N 1 1 320.380 -0.188 10 0 DBAEMO OC[C@H]1C[C@H](F)CN1CC1(C[N@@H+]2C[C@@H](F)C[C@H]2CO)COC1 ZINC000372598759 138168420 /nfs/dbraw/zinc/16/84/20/138168420.db2.gz DQJIKTSZTQZCGC-XDQVBPFNSA-N 1 1 320.380 -0.188 10 0 DBAEMO OC[C@H]1C[C@H](F)CN1CC1(C[N@H+]2C[C@@H](F)C[C@H]2CO)COC1 ZINC000372598759 138168421 /nfs/dbraw/zinc/16/84/21/138168421.db2.gz DQJIKTSZTQZCGC-XDQVBPFNSA-N 1 1 320.380 -0.188 10 0 DBAEMO CN1CCO[C@H]2C[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC000407951341 138200403 /nfs/dbraw/zinc/20/04/03/138200403.db2.gz WFQLLFAJNKQEBI-NEPJUHHUSA-N 1 1 310.398 -0.278 10 0 DBAEMO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH+]1CCOCC1 ZINC000408232110 138211208 /nfs/dbraw/zinc/21/12/08/138211208.db2.gz LVQRXJZHPPFZME-VXGBXAGGSA-N 1 1 322.365 -0.872 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(c2nc3c(cnn3C)c(=O)[nH]2)C[C@H]1C ZINC000408239881 138212079 /nfs/dbraw/zinc/21/20/79/138212079.db2.gz GAUPJHCRJMAHOI-ZJUUUORDSA-N 1 1 306.370 -0.040 10 0 DBAEMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408473034 138220523 /nfs/dbraw/zinc/22/05/23/138220523.db2.gz YIFOHKSCLFANSN-KGLIPLIRSA-N 1 1 310.442 -0.018 10 0 DBAEMO CCc1nnc(CNC(=O)C2CC[NH+](CC(N)=O)CC2)s1 ZINC000091468719 193060307 /nfs/dbraw/zinc/06/03/07/193060307.db2.gz UMUAJXGZCOQTCC-UHFFFAOYSA-N 1 1 311.411 -0.086 10 0 DBAEMO CCN(Cc1noc(C)n1)C(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000091494027 193064677 /nfs/dbraw/zinc/06/46/77/193064677.db2.gz YACGJOJJORTNPH-UHFFFAOYSA-N 1 1 309.370 -0.076 10 0 DBAEMO N=C(NC(=O)c1nc(Cl)c(N)nc1N)N[C@H]1CCC[NH2+]C1 ZINC000216828075 374393228 /nfs/dbraw/zinc/39/32/28/374393228.db2.gz HJJNECZEQMEYSX-YFKPBYRVSA-N 1 1 312.765 -0.909 10 0 DBAEMO Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](N4CCOCC4)C3)C2=O)cn1 ZINC000246946502 374394018 /nfs/dbraw/zinc/39/40/18/374394018.db2.gz KGIOHGBWQIVHQV-UKRRQHHQSA-N 1 1 319.409 -0.068 10 0 DBAEMO Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@H](N4CCOCC4)C3)C2=O)cn1 ZINC000246946502 374394027 /nfs/dbraw/zinc/39/40/27/374394027.db2.gz KGIOHGBWQIVHQV-UKRRQHHQSA-N 1 1 319.409 -0.068 10 0 DBAEMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000312526822 374430357 /nfs/dbraw/zinc/43/03/57/374430357.db2.gz FIVAYDINVBQDTO-AGIUHOORSA-N 1 1 303.428 -0.527 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000312526822 374430360 /nfs/dbraw/zinc/43/03/60/374430360.db2.gz FIVAYDINVBQDTO-AGIUHOORSA-N 1 1 303.428 -0.527 10 0 DBAEMO COc1cccc(C[NH2+]CC(N)=O)c1OCCN1CCOCC1 ZINC000055255531 374597671 /nfs/dbraw/zinc/59/76/71/374597671.db2.gz OEHXHQBGDNZOCG-UHFFFAOYSA-N 1 1 323.393 -0.019 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C[C@@H]1C ZINC000247289326 374610978 /nfs/dbraw/zinc/61/09/78/374610978.db2.gz DWWMKCZKNJBAMI-STQMWFEESA-N 1 1 312.414 -0.031 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C[C@@H]1C ZINC000247289326 374610983 /nfs/dbraw/zinc/61/09/83/374610983.db2.gz DWWMKCZKNJBAMI-STQMWFEESA-N 1 1 312.414 -0.031 10 0 DBAEMO CN(C)S(=O)(=O)CCCN1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408039121 374690497 /nfs/dbraw/zinc/69/04/97/374690497.db2.gz SFNXVAKPVPVILU-QWHCGFSZSA-N 1 1 305.444 -0.327 10 0 DBAEMO C[N@@H+](CC(=O)N1CCC[C@](O)(C(N)=O)C1)[C@@H]1CCSC1 ZINC000408056747 374693871 /nfs/dbraw/zinc/69/38/71/374693871.db2.gz LACDZEDQPMVGBQ-ZWNOBZJWSA-N 1 1 301.412 -0.738 10 0 DBAEMO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000408059554 374694711 /nfs/dbraw/zinc/69/47/11/374694711.db2.gz QLAVKIDTBSBFFQ-YFKTTZPYSA-N 1 1 300.355 -0.770 10 0 DBAEMO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000408059554 374694715 /nfs/dbraw/zinc/69/47/15/374694715.db2.gz QLAVKIDTBSBFFQ-YFKTTZPYSA-N 1 1 300.355 -0.770 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000126825061 374765379 /nfs/dbraw/zinc/76/53/79/374765379.db2.gz GQASHXYSVGALCE-RYUDHWBXSA-N 1 1 318.443 -0.196 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000126825307 374765450 /nfs/dbraw/zinc/76/54/50/374765450.db2.gz GQASHXYSVGALCE-NEPJUHHUSA-N 1 1 318.443 -0.196 10 0 DBAEMO CCn1c2c([nH]c1=NN1CC[NH+](C)CC1)n(C)c(=O)[nH]c2=O ZINC000585158451 374781916 /nfs/dbraw/zinc/78/19/16/374781916.db2.gz WPOOCNCSVZZZOK-UHFFFAOYSA-N 1 1 307.358 -0.570 10 0 DBAEMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000111229157 374943215 /nfs/dbraw/zinc/94/32/15/374943215.db2.gz FRAIGSMIQXWMCP-GFCCVEGCSA-N 1 1 309.370 -0.331 10 0 DBAEMO Cn1cc(CN2CCC[N@H+](CC(=O)N3CCNC3=O)CC2)cn1 ZINC000105869244 374910223 /nfs/dbraw/zinc/91/02/23/374910223.db2.gz LBUCZSQPAYYGQA-UHFFFAOYSA-N 1 1 320.397 -0.520 10 0 DBAEMO Cn1cc(CN2CCC[N@@H+](CC(=O)N3CCNC3=O)CC2)cn1 ZINC000105869244 374910231 /nfs/dbraw/zinc/91/02/31/374910231.db2.gz LBUCZSQPAYYGQA-UHFFFAOYSA-N 1 1 320.397 -0.520 10 0 DBAEMO Cn1cc(C[N@@H+]2CCCN(CC(=O)N3CCNC3=O)CC2)cn1 ZINC000105869244 374910237 /nfs/dbraw/zinc/91/02/37/374910237.db2.gz LBUCZSQPAYYGQA-UHFFFAOYSA-N 1 1 320.397 -0.520 10 0 DBAEMO Cn1cc(C[N@H+]2CCCN(CC(=O)N3CCNC3=O)CC2)cn1 ZINC000105869244 374910240 /nfs/dbraw/zinc/91/02/40/374910240.db2.gz LBUCZSQPAYYGQA-UHFFFAOYSA-N 1 1 320.397 -0.520 10 0 DBAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)cn1 ZINC000105828406 374912093 /nfs/dbraw/zinc/91/20/93/374912093.db2.gz RYXDKYSVMLGFJE-CYBMUJFWSA-N 1 1 305.382 -0.410 10 0 DBAEMO Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)cn1 ZINC000105828406 374912100 /nfs/dbraw/zinc/91/21/00/374912100.db2.gz RYXDKYSVMLGFJE-CYBMUJFWSA-N 1 1 305.382 -0.410 10 0 DBAEMO CC[N@@H+]1CCc2nnc([C@H]3CCN(C(=O)CCO)C3)n2CC1 ZINC000257189417 374978161 /nfs/dbraw/zinc/97/81/61/374978161.db2.gz IPUGVBBDTOKXCE-LBPRGKRZSA-N 1 1 307.398 -0.146 10 0 DBAEMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237496647 375017165 /nfs/dbraw/zinc/01/71/65/375017165.db2.gz LBQPCFNBEDBDIR-KBPBESRZSA-N 1 1 324.425 -0.870 10 0 DBAEMO Cc1nc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(=O)[nH]c1C ZINC000155964942 375077480 /nfs/dbraw/zinc/07/74/80/375077480.db2.gz AJCDSYWFXCKARG-GFCCVEGCSA-N 1 1 306.366 -0.020 10 0 DBAEMO Cc1nc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(=O)[nH]c1C ZINC000155964942 375077485 /nfs/dbraw/zinc/07/74/85/375077485.db2.gz AJCDSYWFXCKARG-GFCCVEGCSA-N 1 1 306.366 -0.020 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN1CCNC(=O)C1 ZINC000332893365 375422915 /nfs/dbraw/zinc/42/29/15/375422915.db2.gz VNASGYBCWXTBFC-STQMWFEESA-N 1 1 309.414 -0.704 10 0 DBAEMO CC[C@@H]1CN(C[C@H](O)CN2CCCC2=O)CC[N@H+]1C[C@@H](C)O ZINC000111690384 376669459 /nfs/dbraw/zinc/66/94/59/376669459.db2.gz WAQRINWNHOBJAR-KFWWJZLASA-N 1 1 313.442 -0.253 10 0 DBAEMO O=C([C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1)N1CCOCC1 ZINC000262636956 377071110 /nfs/dbraw/zinc/07/11/10/377071110.db2.gz XKNFDBYDEBLVOX-OLZOCXBDSA-N 1 1 311.382 -0.928 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000247076844 377131444 /nfs/dbraw/zinc/13/14/44/377131444.db2.gz HRMGXWQZXVQUNQ-NEPJUHHUSA-N 1 1 320.397 -0.325 10 0 DBAEMO C[C@H](O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@H]1C ZINC000367054236 377459700 /nfs/dbraw/zinc/45/97/00/377459700.db2.gz WLIIUMOAAXGWAL-ILXRZTDVSA-N 1 1 310.442 -0.710 10 0 DBAEMO CN1CCO[C@@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638276895 377867766 /nfs/dbraw/zinc/86/77/66/377867766.db2.gz QNAUDPFQVFZHBC-JKSUJKDBSA-N 1 1 320.437 -0.108 10 0 DBAEMO C[N@H+]1CCO[C@@H]2CCN(c3ncc(S(N)(=O)=O)s3)C[C@@H]21 ZINC000328934890 378194492 /nfs/dbraw/zinc/19/44/92/378194492.db2.gz FJLOLSGQYOEUMM-DTWKUNHWSA-N 1 1 318.424 -0.300 10 0 DBAEMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000608479314 378431534 /nfs/dbraw/zinc/43/15/34/378431534.db2.gz QVZFCSGWZIQDCE-WMLDXEAASA-N 1 1 317.389 -0.124 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@@H]1C ZINC000248571673 378438612 /nfs/dbraw/zinc/43/86/12/378438612.db2.gz CSKGHKSNCJCDEK-RWMBFGLXSA-N 1 1 322.413 -0.311 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CC1 ZINC000329585058 378490770 /nfs/dbraw/zinc/49/07/70/378490770.db2.gz RAZKVXCUQJMBPJ-BYNSBNAKSA-N 1 1 312.410 -0.047 10 0 DBAEMO Cn1c2c(nc1N1CC[N@H+]3CCC[C@@H]3C1)n(C)c(=O)[nH]c2=O ZINC000264743579 378620757 /nfs/dbraw/zinc/62/07/57/378620757.db2.gz KYGMVKPJNUEEMP-SECBINFHSA-N 1 1 304.354 -0.343 10 0 DBAEMO Cn1c2c(nc1N1CC[N@H+]3CCC[C@H]3C1)n(C)c(=O)[nH]c2=O ZINC000264743581 378621879 /nfs/dbraw/zinc/62/18/79/378621879.db2.gz KYGMVKPJNUEEMP-VIFPVBQESA-N 1 1 304.354 -0.343 10 0 DBAEMO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000357313636 378935721 /nfs/dbraw/zinc/93/57/21/378935721.db2.gz WPRWDDHPSCPJMN-JHJVBQTASA-N 1 1 309.366 -0.020 10 0 DBAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000116278130 379522013 /nfs/dbraw/zinc/52/20/13/379522013.db2.gz AKHOOEFKCQDPBU-JKSUJKDBSA-N 1 1 324.469 -0.056 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCN1C[C@H](C)O ZINC000368251550 379685370 /nfs/dbraw/zinc/68/53/70/379685370.db2.gz GEUAXVNVLKDSHH-XHSDSOJGSA-N 1 1 324.469 -0.320 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCN1C[C@H](C)O ZINC000368251550 379685377 /nfs/dbraw/zinc/68/53/77/379685377.db2.gz GEUAXVNVLKDSHH-XHSDSOJGSA-N 1 1 324.469 -0.320 10 0 DBAEMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)N1CCN(C(=O)C2CC2)CC1 ZINC000171638826 379694699 /nfs/dbraw/zinc/69/46/99/379694699.db2.gz BTNKJGYVMINIAL-HNNXBMFYSA-N 1 1 320.437 -0.153 10 0 DBAEMO CC(=O)NCCNC(=O)CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171867219 379695227 /nfs/dbraw/zinc/69/52/27/379695227.db2.gz NWBJZHZRNWWIBI-ZDUSSCGKSA-N 1 1 310.398 -0.675 10 0 DBAEMO Cn1cc(N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)cn1 ZINC000175293190 379714799 /nfs/dbraw/zinc/71/47/99/379714799.db2.gz DPNZMMUUUBIVQP-AWEZNQCLSA-N 1 1 307.398 -0.475 10 0 DBAEMO COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000176438184 379718934 /nfs/dbraw/zinc/71/89/34/379718934.db2.gz PWPQOSMMILRCDN-ZDUSSCGKSA-N 1 1 302.419 -0.416 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@@H]1C ZINC000183797411 379754584 /nfs/dbraw/zinc/75/45/84/379754584.db2.gz DQLHPLDYJILKJB-LBPRGKRZSA-N 1 1 312.414 -0.125 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@@H]1C ZINC000183797411 379754588 /nfs/dbraw/zinc/75/45/88/379754588.db2.gz DQLHPLDYJILKJB-LBPRGKRZSA-N 1 1 312.414 -0.125 10 0 DBAEMO C[C@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1N1CCOCC1 ZINC000177278089 379724297 /nfs/dbraw/zinc/72/42/97/379724297.db2.gz CJXHQNYBWLBIMX-STQMWFEESA-N 1 1 324.425 -0.031 10 0 DBAEMO C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1N1CCOCC1 ZINC000177278071 379725094 /nfs/dbraw/zinc/72/50/94/379725094.db2.gz CJXHQNYBWLBIMX-OLZOCXBDSA-N 1 1 324.425 -0.031 10 0 DBAEMO C[C@H]1C[N@H+](C2CCN(CC(=O)N3CCN(C)CC3)CC2)CCO1 ZINC000178984515 379737255 /nfs/dbraw/zinc/73/72/55/379737255.db2.gz OEAVMWYHJLMOMF-HNNXBMFYSA-N 1 1 324.469 -0.055 10 0 DBAEMO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000173725864 379706173 /nfs/dbraw/zinc/70/61/73/379706173.db2.gz BVMKLMMPNNNVLA-VXGBXAGGSA-N 1 1 324.468 -0.081 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000173725864 379706181 /nfs/dbraw/zinc/70/61/81/379706181.db2.gz BVMKLMMPNNNVLA-VXGBXAGGSA-N 1 1 324.468 -0.081 10 0 DBAEMO CC(C)c1nnnn1CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000174342261 379710803 /nfs/dbraw/zinc/71/08/03/379710803.db2.gz WEQZGVPBOXEDRA-CHWSQXEVSA-N 1 1 322.413 -0.024 10 0 DBAEMO CCN(C)C(=O)CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000186208680 379764400 /nfs/dbraw/zinc/76/44/00/379764400.db2.gz JODCMRUKUQEYBO-GFCCVEGCSA-N 1 1 300.403 -0.173 10 0 DBAEMO CCN(C)C(=O)CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000186208680 379764407 /nfs/dbraw/zinc/76/44/07/379764407.db2.gz JODCMRUKUQEYBO-GFCCVEGCSA-N 1 1 300.403 -0.173 10 0 DBAEMO Cc1cc(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n[nH]1 ZINC000187189511 379767207 /nfs/dbraw/zinc/76/72/07/379767207.db2.gz YTVJBPSXLNPYDE-AWEZNQCLSA-N 1 1 309.414 -0.467 10 0 DBAEMO Cc1cc(N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)n[nH]1 ZINC000187270509 379767442 /nfs/dbraw/zinc/76/74/42/379767442.db2.gz NNDNWNZIJCRBIB-ZDUSSCGKSA-N 1 1 307.398 -0.177 10 0 DBAEMO Cn1c(=O)ccn(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1=O ZINC000195085494 379929905 /nfs/dbraw/zinc/92/99/05/379929905.db2.gz PWNGOBQIFGGSDG-GFCCVEGCSA-N 1 1 306.366 -0.756 10 0 DBAEMO C[C@H]1C[N@H+](C2CCN(C(=O)NCC(=O)N(C)C)CC2)CCO1 ZINC000193625957 379927449 /nfs/dbraw/zinc/92/74/49/379927449.db2.gz OYZLJMZISKCFAF-LBPRGKRZSA-N 1 1 312.414 -0.031 10 0 DBAEMO C[C@H]1C[N@H+](C2CCN(CCNS(C)(=O)=O)CC2)CCO1 ZINC000107367734 379877649 /nfs/dbraw/zinc/87/76/49/379877649.db2.gz JZZZBHBKSRYWQK-LBPRGKRZSA-N 1 1 305.444 -0.279 10 0 DBAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404151122 379900750 /nfs/dbraw/zinc/90/07/50/379900750.db2.gz MMBTWTQZKLCCFL-MNOVXSKESA-N 1 1 300.384 -0.222 10 0 DBAEMO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1)N1CCCC1 ZINC000195090981 379929238 /nfs/dbraw/zinc/92/92/38/379929238.db2.gz PXQHCCQPCHXPEF-ZDUSSCGKSA-N 1 1 322.409 -0.721 10 0 DBAEMO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1)N1CCCC1 ZINC000195090981 379929241 /nfs/dbraw/zinc/92/92/41/379929241.db2.gz PXQHCCQPCHXPEF-ZDUSSCGKSA-N 1 1 322.409 -0.721 10 0 DBAEMO O=C(CCN1CCCS1(=O)=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195334649 379931454 /nfs/dbraw/zinc/93/14/54/379931454.db2.gz VQPVHIWWBFBAHF-GFCCVEGCSA-N 1 1 301.412 -0.281 10 0 DBAEMO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N3CCNC(=O)C3)C2)no1 ZINC000195517918 379931768 /nfs/dbraw/zinc/93/17/68/379931768.db2.gz XZWLWGCXMXJEJI-GFCCVEGCSA-N 1 1 321.381 -0.409 10 0 DBAEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)no1 ZINC000195517918 379931769 /nfs/dbraw/zinc/93/17/69/379931769.db2.gz XZWLWGCXMXJEJI-GFCCVEGCSA-N 1 1 321.381 -0.409 10 0 DBAEMO CCNC(=O)NC(=O)C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509005 379932504 /nfs/dbraw/zinc/93/25/04/379932504.db2.gz VKZYTKWNJCWFOZ-UHFFFAOYSA-N 1 1 323.397 -0.100 10 0 DBAEMO C[C@H]1CN(Cc2nc(N)nc(N(C)C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000246477881 380095332 /nfs/dbraw/zinc/09/53/32/380095332.db2.gz OMOFPHNDTRFELJ-NWDGAFQWSA-N 1 1 321.429 -0.328 10 0 DBAEMO O=C([C@@H]1CSC[NH2+]1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000075033536 380097196 /nfs/dbraw/zinc/09/71/96/380097196.db2.gz VTMPAJMVGTWYFW-RYUDHWBXSA-N 1 1 313.423 -0.111 10 0 DBAEMO COCC[N@@H+]1CCN(C[C@@H](O)CN2CCOCC2)C[C@H]1C ZINC000247186497 380101434 /nfs/dbraw/zinc/10/14/34/380101434.db2.gz NYQOQDQULITFIT-CABCVRRESA-N 1 1 301.431 -0.668 10 0 DBAEMO COCC[N@H+]1CCN(C[C@@H](O)CN2CCOCC2)C[C@H]1C ZINC000247186497 380101442 /nfs/dbraw/zinc/10/14/42/380101442.db2.gz NYQOQDQULITFIT-CABCVRRESA-N 1 1 301.431 -0.668 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCS(=O)(=O)NC ZINC000249163943 380113171 /nfs/dbraw/zinc/11/31/71/380113171.db2.gz JVDWZFHHDZHDJM-NEPJUHHUSA-N 1 1 318.443 -0.196 10 0 DBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000284808601 380132267 /nfs/dbraw/zinc/13/22/67/380132267.db2.gz KPUVQMITDBJWFO-MRXNPFEDSA-N 1 1 317.345 -0.405 10 0 DBAEMO Cc1nnc(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1C ZINC000640548304 380676407 /nfs/dbraw/zinc/67/64/07/380676407.db2.gz HDWRMPYCYAVDMQ-DGCLKSJQSA-N 1 1 322.413 -0.509 10 0 DBAEMO Cc1nnc(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1C ZINC000640548304 380676413 /nfs/dbraw/zinc/67/64/13/380676413.db2.gz HDWRMPYCYAVDMQ-DGCLKSJQSA-N 1 1 322.413 -0.509 10 0 DBAEMO CCS(=O)(=O)NCCCN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000132547239 381442707 /nfs/dbraw/zinc/44/27/07/381442707.db2.gz LSFSGEIZIKGMEV-CYBMUJFWSA-N 1 1 307.460 -0.032 10 0 DBAEMO CC[C@@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CC[N@H+]1C[C@@H](C)O ZINC000248484674 381597921 /nfs/dbraw/zinc/59/79/21/381597921.db2.gz KEEVWYKSCAQLSX-UPJWGTAASA-N 1 1 312.414 -0.296 10 0 DBAEMO CC[C@@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CC[N@H+]1C[C@H](C)O ZINC000248484675 381598504 /nfs/dbraw/zinc/59/85/04/381598504.db2.gz KEEVWYKSCAQLSX-XQQFMLRXSA-N 1 1 312.414 -0.296 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n(C)n1 ZINC000247080551 381596130 /nfs/dbraw/zinc/59/61/30/381596130.db2.gz PDMHLHJXASMTCY-RYUDHWBXSA-N 1 1 323.397 -0.419 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n(C)n1 ZINC000247080551 381596136 /nfs/dbraw/zinc/59/61/36/381596136.db2.gz PDMHLHJXASMTCY-RYUDHWBXSA-N 1 1 323.397 -0.419 10 0 DBAEMO CC(C)N1CCO[C@H](CN2CCN(C(=O)C[NH2+]C3CC3)CC2)C1 ZINC000154681421 381690150 /nfs/dbraw/zinc/69/01/50/381690150.db2.gz PAVXBEXKMAXIRL-MRXNPFEDSA-N 1 1 324.469 -0.008 10 0 DBAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](CO)C1 ZINC000333028701 381881185 /nfs/dbraw/zinc/88/11/85/381881185.db2.gz LUTKZPWHHHWTPW-STQMWFEESA-N 1 1 301.387 -0.500 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000172326498 381894281 /nfs/dbraw/zinc/89/42/81/381894281.db2.gz PGFQBJOIRFJNOU-RYUDHWBXSA-N 1 1 300.403 -0.175 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000172326498 381894285 /nfs/dbraw/zinc/89/42/85/381894285.db2.gz PGFQBJOIRFJNOU-RYUDHWBXSA-N 1 1 300.403 -0.175 10 0 DBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC(=O)N1CCOCC1 ZINC000179779445 381998072 /nfs/dbraw/zinc/99/80/72/381998072.db2.gz LFEGSTQSCKYHKT-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO CCCOCCCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO ZINC000065748308 184378745 /nfs/dbraw/zinc/37/87/45/184378745.db2.gz OLYHECNPMKMYII-BYNSBNAKSA-N 1 1 305.415 -0.267 10 0 in-vitro DBAEMO CC[C@@H]1CN(C(=O)NCCC(=O)N(C)C)CC[N@H+]1C[C@@H](C)O ZINC000184871053 382104062 /nfs/dbraw/zinc/10/40/62/382104062.db2.gz KQPUKPBIWHQJFW-CHWSQXEVSA-N 1 1 314.430 -0.049 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000181925330 382074905 /nfs/dbraw/zinc/07/49/05/382074905.db2.gz YVQMHOSTBKWNGL-GXTWGEPZSA-N 1 1 324.425 -0.152 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC000182464726 382081877 /nfs/dbraw/zinc/08/18/77/382081877.db2.gz SIDVQXABLRUAMI-CYBMUJFWSA-N 1 1 310.402 -0.234 10 0 DBAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000170958749 382568195 /nfs/dbraw/zinc/56/81/95/382568195.db2.gz HSBYUBDZDBJCGZ-GXTWGEPZSA-N 1 1 308.426 -0.108 10 0 DBAEMO Cn1cc(N2CC[C@H]([N@@H+]3CC[C@H](N4CCOCC4)C3)C2=O)cn1 ZINC000173952543 382694083 /nfs/dbraw/zinc/69/40/83/382694083.db2.gz KGIOHGBWQIVHQV-ZFWWWQNUSA-N 1 1 319.409 -0.068 10 0 DBAEMO Cn1cc(N2CC[C@H]([N@H+]3CC[C@H](N4CCOCC4)C3)C2=O)cn1 ZINC000173952543 382694085 /nfs/dbraw/zinc/69/40/85/382694085.db2.gz KGIOHGBWQIVHQV-ZFWWWQNUSA-N 1 1 319.409 -0.068 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000246581393 382695667 /nfs/dbraw/zinc/69/56/67/382695667.db2.gz ABLMNKJBKNVDFD-RWMBFGLXSA-N 1 1 312.414 -0.309 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000246581393 382695668 /nfs/dbraw/zinc/69/56/68/382695668.db2.gz ABLMNKJBKNVDFD-RWMBFGLXSA-N 1 1 312.414 -0.309 10 0 DBAEMO COCCNC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cnn(C)c1)C2 ZINC000248081296 257109615 /nfs/dbraw/zinc/10/96/15/257109615.db2.gz AKKMEMSDOOFTRP-ZFWWWQNUSA-N 1 1 308.382 -0.369 10 0 DBAEMO CS(=O)(=O)CC(=O)N1C[C@@H]2OCC[N@H+](CC3CC3)C[C@@H]2C1 ZINC000247560013 257119591 /nfs/dbraw/zinc/11/95/91/257119591.db2.gz YMNORLTXEMUFSC-OLZOCXBDSA-N 1 1 316.423 -0.400 10 0 DBAEMO Cc1cc(C)n(CC(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c(=O)n1 ZINC000284870809 131118105 /nfs/dbraw/zinc/11/81/05/131118105.db2.gz FCVMBMKDNYNTEA-ZIAGYGMSSA-N 1 1 320.393 -0.208 10 0 DBAEMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)n(C)n1 ZINC000285715373 131195356 /nfs/dbraw/zinc/19/53/56/131195356.db2.gz CFPBQXHPUGBEOD-ABAIWWIYSA-N 1 1 321.381 -0.854 10 0 DBAEMO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)n(C)n1 ZINC000285715373 131195357 /nfs/dbraw/zinc/19/53/57/131195357.db2.gz CFPBQXHPUGBEOD-ABAIWWIYSA-N 1 1 321.381 -0.854 10 0 DBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000286035451 131215887 /nfs/dbraw/zinc/21/58/87/131215887.db2.gz DNQQKLVLPKZPFQ-GDBMZVCRSA-N 1 1 308.378 -0.124 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000248366754 392566708 /nfs/dbraw/zinc/56/67/08/392566708.db2.gz SNGJOOSOZRICMC-UONOGXRCSA-N 1 1 308.426 -0.120 10 0 DBAEMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000407951686 392663573 /nfs/dbraw/zinc/66/35/73/392663573.db2.gz SEXPLRYOICVDEM-CYBMUJFWSA-N 1 1 305.444 -0.326 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(CCN2CCCS2(=O)=O)C[C@@H]1C ZINC000407951639 392663967 /nfs/dbraw/zinc/66/39/67/392663967.db2.gz PZAURWVYTNIECU-QWHCGFSZSA-N 1 1 305.444 -0.591 10 0 DBAEMO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000408059552 392789744 /nfs/dbraw/zinc/78/97/44/392789744.db2.gz QLAVKIDTBSBFFQ-NNYUYHANSA-N 1 1 300.355 -0.770 10 0 DBAEMO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000408059552 392789755 /nfs/dbraw/zinc/78/97/55/392789755.db2.gz QLAVKIDTBSBFFQ-NNYUYHANSA-N 1 1 300.355 -0.770 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC000408108822 392813187 /nfs/dbraw/zinc/81/31/87/392813187.db2.gz BTAPVELKHRZGGR-MNOVXSKESA-N 1 1 321.443 -0.772 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC000408108822 392813194 /nfs/dbraw/zinc/81/31/94/392813194.db2.gz BTAPVELKHRZGGR-MNOVXSKESA-N 1 1 321.443 -0.772 10 0 DBAEMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)C1 ZINC000408395057 392856126 /nfs/dbraw/zinc/85/61/26/392856126.db2.gz LUCQUILWOCOFQC-VXGBXAGGSA-N 1 1 321.381 -0.815 10 0 DBAEMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)C1 ZINC000408395057 392856129 /nfs/dbraw/zinc/85/61/29/392856129.db2.gz LUCQUILWOCOFQC-VXGBXAGGSA-N 1 1 321.381 -0.815 10 0 DBAEMO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)CC[N@H+]1CCOC ZINC000163823688 132123561 /nfs/dbraw/zinc/12/35/61/132123561.db2.gz CPGOGVXZPBOOGO-CHWSQXEVSA-N 1 1 312.414 -0.031 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)CN2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000248366753 393029351 /nfs/dbraw/zinc/02/93/51/393029351.db2.gz SNGJOOSOZRICMC-KGLIPLIRSA-N 1 1 308.426 -0.120 10 0 DBAEMO CC[C@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CC[N@H+]1CCOC ZINC000247275790 393593082 /nfs/dbraw/zinc/59/30/82/393593082.db2.gz CPGOGVXZPBOOGO-STQMWFEESA-N 1 1 312.414 -0.031 10 0 DBAEMO CO[C@H]1C[C@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)N(C(C)=O)C1 ZINC000408274438 286103215 /nfs/dbraw/zinc/10/32/15/286103215.db2.gz YYUQBKYNUMDOBO-FPMFFAJLSA-N 1 1 313.398 -0.853 10 0 DBAEMO CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)N(C(C)=O)C1 ZINC000408274438 286103216 /nfs/dbraw/zinc/10/32/16/286103216.db2.gz YYUQBKYNUMDOBO-FPMFFAJLSA-N 1 1 313.398 -0.853 10 0 DBAEMO C[C@@H](CNC(=O)N1CCCN(C)C(=O)C1)C[NH+]1CCOCC1 ZINC000188297093 286860914 /nfs/dbraw/zinc/86/09/14/286860914.db2.gz IGGHFQGIVFPYMZ-ZDUSSCGKSA-N 1 1 312.414 -0.172 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CS(=O)(=O)N(C)C ZINC000408187103 287219452 /nfs/dbraw/zinc/21/94/52/287219452.db2.gz ZGPONOSDFYHARC-VXGBXAGGSA-N 1 1 303.428 -0.037 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nn1C ZINC000408422601 412363407 /nfs/dbraw/zinc/36/34/07/412363407.db2.gz SKRJYPUTEIFERX-RYUDHWBXSA-N 1 1 305.382 0.362 10 0 DBAEMO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000329489082 544483124 /nfs/dbraw/zinc/48/31/24/544483124.db2.gz HIIQYCMESHBUMC-CYBMUJFWSA-N 1 1 307.398 0.248 10 0 DBAEMO CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[N@H+]1CCOC ZINC000329685206 544487286 /nfs/dbraw/zinc/48/72/86/544487286.db2.gz ZWQZZLSTJMQBFS-LLVKDONJSA-N 1 1 312.370 -0.052 10 0 DBAEMO Cn1c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000077516153 544753877 /nfs/dbraw/zinc/75/38/77/544753877.db2.gz UIIYGSLUFCXOLB-DTWKUNHWSA-N 1 1 304.354 -0.899 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CSCN2C(C)=O)CC1 ZINC000408099693 276596727 /nfs/dbraw/zinc/59/67/27/276596727.db2.gz XWIUDTMGVBNHGW-STQMWFEESA-N 1 1 315.439 -0.177 10 0 DBAEMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)C1 ZINC000408049416 277044075 /nfs/dbraw/zinc/04/40/75/277044075.db2.gz ZKCGVLBEXTXWAZ-RAIGVLPGSA-N 1 1 310.398 -0.833 10 0 DBAEMO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000407958765 277312574 /nfs/dbraw/zinc/31/25/74/277312574.db2.gz RTRNJVQORLXYRD-CHWSQXEVSA-N 1 1 323.393 -0.392 10 0 DBAEMO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000407958765 277312575 /nfs/dbraw/zinc/31/25/75/277312575.db2.gz RTRNJVQORLXYRD-CHWSQXEVSA-N 1 1 323.393 -0.392 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181369439 278062176 /nfs/dbraw/zinc/06/21/76/278062176.db2.gz ZULHGWFGZPWWAB-CHWSQXEVSA-N 1 1 323.422 -0.186 10 0 DBAEMO CC(=O)NCCNC(=O)CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247461541 278114049 /nfs/dbraw/zinc/11/40/49/278114049.db2.gz QWCWDXVXLMQNCR-OCCSQVGLSA-N 1 1 324.425 -0.286 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000106395128 280206201 /nfs/dbraw/zinc/20/62/01/280206201.db2.gz PUGLLRQTRJIEKD-QWHCGFSZSA-N 1 1 312.414 -0.308 10 0 DBAEMO O=S(=O)([C@H]1CC[N@H+](CC2(CO)COC2)C1)N1CCCC1 ZINC000135690445 280339674 /nfs/dbraw/zinc/33/96/74/280339674.db2.gz VWAPIAOGKPJTNG-LBPRGKRZSA-N 1 1 304.412 -0.505 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN(C)S(C)(=O)=O ZINC000246930469 281196870 /nfs/dbraw/zinc/19/68/70/281196870.db2.gz JTNVRTWDIBYQOQ-RYUDHWBXSA-N 1 1 303.428 -0.037 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000248644591 290096983 /nfs/dbraw/zinc/09/69/83/290096983.db2.gz SAXGADIWYOUQFE-HZSPNIEDSA-N 1 1 314.430 -0.587 10 0 DBAEMO Cc1nc2ccc(N3CCC[C@H](N4CC[NH2+]CC4=O)C3)nn2n1 ZINC000333907258 293464645 /nfs/dbraw/zinc/46/46/45/293464645.db2.gz KGCTXRQODNPGDV-LBPRGKRZSA-N 1 1 315.381 -0.167 10 0 DBAEMO CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000191348195 519646935 /nfs/dbraw/zinc/64/69/35/519646935.db2.gz FVSVAVUNJBHLSC-UHFFFAOYSA-N 1 1 316.361 -0.083 10 0 DBAEMO CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000191348195 519646937 /nfs/dbraw/zinc/64/69/37/519646937.db2.gz FVSVAVUNJBHLSC-UHFFFAOYSA-N 1 1 316.361 -0.083 10 0 DBAEMO CC(C)[C@@H](CNC(=O)N1CCNC(=O)CC1)[NH+]1CCOCC1 ZINC000105103790 519794434 /nfs/dbraw/zinc/79/44/34/519794434.db2.gz UNEIHDPOHIDBNE-CYBMUJFWSA-N 1 1 312.414 -0.125 10 0 DBAEMO CCNC(=O)NC(=O)CN1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000105835799 521741077 /nfs/dbraw/zinc/74/10/77/521741077.db2.gz RCUOYSFSJAOGLE-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000408384972 536366812 /nfs/dbraw/zinc/36/68/12/536366812.db2.gz JKVZUTUEVVMVHS-WDEREUQCSA-N 1 1 306.370 -0.365 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000189456410 522811329 /nfs/dbraw/zinc/81/13/29/522811329.db2.gz ZGVNELWNOLIXBQ-NSHDSACASA-N 1 1 309.370 -0.726 10 0 DBAEMO CC[C@@H]1CN(C[C@H](O)CN2CCOCC2)CC[N@H+]1CCOC ZINC000105903066 523446745 /nfs/dbraw/zinc/44/67/45/523446745.db2.gz JJXRKOKVWLXRNW-HZPDHXFCSA-N 1 1 315.458 -0.278 10 0 DBAEMO CC[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1CCOC ZINC000105903066 523446756 /nfs/dbraw/zinc/44/67/56/523446756.db2.gz JJXRKOKVWLXRNW-HZPDHXFCSA-N 1 1 315.458 -0.278 10 0 DBAEMO CC[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCN1CCOC ZINC000105903066 523446763 /nfs/dbraw/zinc/44/67/63/523446763.db2.gz JJXRKOKVWLXRNW-HZPDHXFCSA-N 1 1 315.458 -0.278 10 0 DBAEMO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000368910000 523797708 /nfs/dbraw/zinc/79/77/08/523797708.db2.gz MNELUXIGATYJCC-UPJWGTAASA-N 1 1 323.393 -0.440 10 0 DBAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[S@](C)=O)CC1 ZINC000157859136 523845334 /nfs/dbraw/zinc/84/53/34/523845334.db2.gz HFFWFYWYDOQOLP-LAJNKCICSA-N 1 1 315.439 -0.480 10 0 DBAEMO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)N1CCNC1=O ZINC000105798653 526744738 /nfs/dbraw/zinc/74/47/38/526744738.db2.gz ZBOPSCWYRXYYFO-UHFFFAOYSA-N 1 1 304.354 -0.460 10 0 DBAEMO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)N1CCNC1=O ZINC000105798653 526744743 /nfs/dbraw/zinc/74/47/43/526744743.db2.gz ZBOPSCWYRXYYFO-UHFFFAOYSA-N 1 1 304.354 -0.460 10 0 DBAEMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O)N1CCNC(=O)C1 ZINC000337285793 526753254 /nfs/dbraw/zinc/75/32/54/526753254.db2.gz KGJXVIMSUDXDKG-MGPQQGTHSA-N 1 1 309.410 -0.040 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246748166 526977200 /nfs/dbraw/zinc/97/72/00/526977200.db2.gz PXBANVKGNNYNLL-ZIAGYGMSSA-N 1 1 307.398 -0.027 10 0 DBAEMO CCCOCCCCCC[N@H+]1C[C@H](O)[C@H](O)[C@H](O)[C@H]1CO ZINC000306146803 528591415 /nfs/dbraw/zinc/59/14/15/528591415.db2.gz OLYHECNPMKMYII-BARDWOONSA-N 1 1 305.415 -0.267 10 0 DBAEMO CN1CCN(C)[C@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000408181070 535946892 /nfs/dbraw/zinc/94/68/92/535946892.db2.gz AGBLEBBGIDSQJB-ZIAGYGMSSA-N 1 1 313.446 -0.796 10 0 DBAEMO C[C@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000177220205 664899097 /nfs/dbraw/zinc/89/90/97/664899097.db2.gz SGTLJEGYMWMZLO-ZNMIVQPWSA-N 1 1 311.426 -0.114 10 0 DBAEMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCOC[C@@H]2CO)C1 ZINC000912430683 674768946 /nfs/dbraw/zinc/76/89/46/674768946.db2.gz IQPUHLMYDPXIHG-STQMWFEESA-N 1 1 314.382 -0.519 10 0 DBAEMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCOC[C@@H]2CO)C1 ZINC000912430683 674768952 /nfs/dbraw/zinc/76/89/52/674768952.db2.gz IQPUHLMYDPXIHG-STQMWFEESA-N 1 1 314.382 -0.519 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCC([C@H](F)C(N)=O)CC2)[N@@H+](C)C1 ZINC000913108282 674790693 /nfs/dbraw/zinc/79/06/93/674790693.db2.gz WWWNRLSVRYPOCK-SRVKXCTJSA-N 1 1 301.362 -0.233 10 0 DBAEMO O=c1n2ccccc2nn1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172958962 674920979 /nfs/dbraw/zinc/92/09/79/674920979.db2.gz STWKNTSHXLAHRV-ZDUSSCGKSA-N 1 1 303.366 -0.140 10 0 DBAEMO O[C@@]1(CN2CCN(c3ncnc4[nH]cnc43)CC2)CCC[NH2+]C1 ZINC000072459041 191172930 /nfs/dbraw/zinc/17/29/30/191172930.db2.gz YDRBLFFIBNIZDS-HNNXBMFYSA-N 1 1 317.397 -0.411 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408275889 283021777 /nfs/dbraw/zinc/02/17/77/283021777.db2.gz CAOYIWDXVWTSPL-SRVKXCTJSA-N 1 1 319.427 -0.706 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408275889 283021778 /nfs/dbraw/zinc/02/17/78/283021778.db2.gz CAOYIWDXVWTSPL-SRVKXCTJSA-N 1 1 319.427 -0.706 10 0 DBAEMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)NCc2ccco2)CC1 ZINC000029845322 138094614 /nfs/dbraw/zinc/09/46/14/138094614.db2.gz HBCLNSPUQNCUNP-UHFFFAOYSA-N 1 1 322.409 -0.008 10 0 DBAEMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)NCc2ccco2)CC1 ZINC000029845322 138094615 /nfs/dbraw/zinc/09/46/15/138094615.db2.gz HBCLNSPUQNCUNP-UHFFFAOYSA-N 1 1 322.409 -0.008 10 0 DBAEMO CCn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000408029511 138203512 /nfs/dbraw/zinc/20/35/12/138203512.db2.gz TUJFNEVMJKRQNU-QWHCGFSZSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000408029511 138203513 /nfs/dbraw/zinc/20/35/13/138203513.db2.gz TUJFNEVMJKRQNU-QWHCGFSZSA-N 1 1 314.411 -0.003 10 0 DBAEMO Cc1nnc([C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)[nH]1 ZINC000408033575 138204133 /nfs/dbraw/zinc/20/41/33/138204133.db2.gz NWUOBJDBEJBVKX-QWHCGFSZSA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc([C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CCO2)n[nH]1 ZINC000408033575 138204134 /nfs/dbraw/zinc/20/41/34/138204134.db2.gz NWUOBJDBEJBVKX-QWHCGFSZSA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc([C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)n[nH]1 ZINC000408033575 138204136 /nfs/dbraw/zinc/20/41/36/138204136.db2.gz NWUOBJDBEJBVKX-QWHCGFSZSA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408033131 138204220 /nfs/dbraw/zinc/20/42/20/138204220.db2.gz IBKJZIKECUGGJV-QWHCGFSZSA-N 1 1 304.398 -0.072 10 0 DBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)CC(=O)NCC(F)(F)F)[C@H]2C1 ZINC000408043117 138204508 /nfs/dbraw/zinc/20/45/08/138204508.db2.gz VFBLPWXBICZEKD-VHSXEESVSA-N 1 1 323.315 -0.014 10 0 DBAEMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000408113333 138207605 /nfs/dbraw/zinc/20/76/05/138207605.db2.gz RHNLPMHHNKQJSH-NSHDSACASA-N 1 1 301.350 -0.046 10 0 DBAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000408113333 138207606 /nfs/dbraw/zinc/20/76/06/138207606.db2.gz RHNLPMHHNKQJSH-NSHDSACASA-N 1 1 301.350 -0.046 10 0 DBAEMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408111958 138207921 /nfs/dbraw/zinc/20/79/21/138207921.db2.gz GPKKSZCWPVIAPB-SNVBAGLBSA-N 1 1 304.354 -0.708 10 0 DBAEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408111958 138207922 /nfs/dbraw/zinc/20/79/22/138207922.db2.gz GPKKSZCWPVIAPB-SNVBAGLBSA-N 1 1 304.354 -0.708 10 0 DBAEMO C[C@H]1CCN(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)C1 ZINC000408139808 138208184 /nfs/dbraw/zinc/20/81/84/138208184.db2.gz POKARYXTFHVZOT-LBPRGKRZSA-N 1 1 305.444 -0.039 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C ZINC000408233215 138211537 /nfs/dbraw/zinc/21/15/37/138211537.db2.gz ZCYIAKDOJKORIA-NXEZZACHSA-N 1 1 310.354 -0.987 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(c2nc3c(cnn3C)c(=O)[nH]2)C[C@H]1C ZINC000408239878 138211944 /nfs/dbraw/zinc/21/19/44/138211944.db2.gz GAUPJHCRJMAHOI-NXEZZACHSA-N 1 1 306.370 -0.040 10 0 DBAEMO CC[NH+]1CCN(C(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000017031816 182069706 /nfs/dbraw/zinc/06/97/06/182069706.db2.gz CDHDBNDFVXPHIC-IHRRRGAJSA-N 1 1 308.426 -0.060 10 0 DBAEMO NC(=O)C1CCN(C(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000017056100 182073497 /nfs/dbraw/zinc/07/34/97/182073497.db2.gz UWVRYYBWZWMQRS-AVGNSLFASA-N 1 1 322.409 -0.500 10 0 DBAEMO C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000019795924 182150849 /nfs/dbraw/zinc/15/08/49/182150849.db2.gz ZHXZZXTWKFVPRH-RYUDHWBXSA-N 1 1 319.404 -0.146 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)C1 ZINC000088770128 374624893 /nfs/dbraw/zinc/62/48/93/374624893.db2.gz BEUPOEJZWGRYOD-LLVKDONJSA-N 1 1 307.416 -0.200 10 0 DBAEMO CN(C)S(=O)(=O)CCCN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000408039118 374690325 /nfs/dbraw/zinc/69/03/25/374690325.db2.gz SFNXVAKPVPVILU-CHWSQXEVSA-N 1 1 305.444 -0.327 10 0 DBAEMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247503965 374805881 /nfs/dbraw/zinc/80/58/81/374805881.db2.gz IQLYYOJQCNAOCP-NEPJUHHUSA-N 1 1 310.398 -0.832 10 0 DBAEMO O=C1C[C@@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(O)cc1 ZINC000023476942 374934507 /nfs/dbraw/zinc/93/45/07/374934507.db2.gz YFIKJCASMGZJKE-CQSZACIVSA-N 1 1 319.361 -0.366 10 0 DBAEMO CNC(=O)NC(=O)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863013 374911156 /nfs/dbraw/zinc/91/11/56/374911156.db2.gz UTXYGGWYBKUYPK-UHFFFAOYSA-N 1 1 322.413 -0.265 10 0 DBAEMO CNC(=O)NC(=O)C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863013 374911168 /nfs/dbraw/zinc/91/11/68/374911168.db2.gz UTXYGGWYBKUYPK-UHFFFAOYSA-N 1 1 322.413 -0.265 10 0 DBAEMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863007 374911661 /nfs/dbraw/zinc/91/16/61/374911661.db2.gz YEOBIYAIFBEART-LBPRGKRZSA-N 1 1 322.413 -0.137 10 0 DBAEMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863007 374911665 /nfs/dbraw/zinc/91/16/65/374911665.db2.gz YEOBIYAIFBEART-LBPRGKRZSA-N 1 1 322.413 -0.137 10 0 DBAEMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408473036 375013271 /nfs/dbraw/zinc/01/32/71/375013271.db2.gz YIFOHKSCLFANSN-ZIAGYGMSSA-N 1 1 310.442 -0.018 10 0 DBAEMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@](C)(O)C1 ZINC000248338686 375075709 /nfs/dbraw/zinc/07/57/09/375075709.db2.gz HYARMSPUSUDOBR-CJNGLKHVSA-N 1 1 319.409 -0.030 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@@H+]1CCOC ZINC000126249858 375076774 /nfs/dbraw/zinc/07/67/74/375076774.db2.gz NBJCCHTUVQPMQK-LBPRGKRZSA-N 1 1 323.397 -0.072 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@H+]1CCOC ZINC000126249858 375076784 /nfs/dbraw/zinc/07/67/84/375076784.db2.gz NBJCCHTUVQPMQK-LBPRGKRZSA-N 1 1 323.397 -0.072 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000073106183 375056946 /nfs/dbraw/zinc/05/69/46/375056946.db2.gz XWZVDRJVDSCFPH-CYBMUJFWSA-N 1 1 310.398 -0.770 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000073106183 375056951 /nfs/dbraw/zinc/05/69/51/375056951.db2.gz XWZVDRJVDSCFPH-CYBMUJFWSA-N 1 1 310.398 -0.770 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCNC(C)=O)CC1 ZINC000184852167 375236469 /nfs/dbraw/zinc/23/64/69/375236469.db2.gz TVGDFLSMTSTGGF-CYBMUJFWSA-N 1 1 300.403 -0.389 10 0 DBAEMO Cc1onc(N)c1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000290000245 375194273 /nfs/dbraw/zinc/19/42/73/375194273.db2.gz WPXNQHVXUVMTTA-UWVGGRQHSA-N 1 1 316.383 -0.341 10 0 DBAEMO Cc1onc(N)c1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000290000245 375194282 /nfs/dbraw/zinc/19/42/82/375194282.db2.gz WPXNQHVXUVMTTA-UWVGGRQHSA-N 1 1 316.383 -0.341 10 0 DBAEMO Cn1nc(N2CCC(CN3CC[NH2+]CC3=O)CC2)ccc1=O ZINC000141529514 375218638 /nfs/dbraw/zinc/21/86/38/375218638.db2.gz QLUUUUDMOMQLQZ-UHFFFAOYSA-N 1 1 305.382 -0.572 10 0 DBAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCCN2CCNC(=O)C2)[C@@H](C)C1 ZINC000332838181 375416669 /nfs/dbraw/zinc/41/66/69/375416669.db2.gz NFXKHCPKMCKBEX-STQMWFEESA-N 1 1 311.430 -0.554 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCNC(=O)C1 ZINC000332893364 375422897 /nfs/dbraw/zinc/42/28/97/375422897.db2.gz VNASGYBCWXTBFC-QWHCGFSZSA-N 1 1 309.414 -0.704 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(C(N)=O)o2)CC1 ZINC000181895740 375535610 /nfs/dbraw/zinc/53/56/10/375535610.db2.gz CJGQBTMBZFTUEE-LLVKDONJSA-N 1 1 324.381 -0.023 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000174647862 375492142 /nfs/dbraw/zinc/49/21/42/375492142.db2.gz DAYHXARIIRWVLD-ZDUSSCGKSA-N 1 1 305.382 -0.154 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000174647862 375492152 /nfs/dbraw/zinc/49/21/52/375492152.db2.gz DAYHXARIIRWVLD-ZDUSSCGKSA-N 1 1 305.382 -0.154 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@@H]1C ZINC000177607932 375509229 /nfs/dbraw/zinc/50/92/29/375509229.db2.gz XMKDBYZQPYUTLP-WDEREUQCSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@@H]1C ZINC000177607932 375509234 /nfs/dbraw/zinc/50/92/34/375509234.db2.gz XMKDBYZQPYUTLP-WDEREUQCSA-N 1 1 309.370 -0.728 10 0 DBAEMO Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000179179978 375517892 /nfs/dbraw/zinc/51/78/92/375517892.db2.gz VMBNCGXZAXTCHN-KGLIPLIRSA-N 1 1 308.378 -0.082 10 0 DBAEMO Cc1cccc(OCCNC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000179179978 375517895 /nfs/dbraw/zinc/51/78/95/375517895.db2.gz VMBNCGXZAXTCHN-KGLIPLIRSA-N 1 1 308.378 -0.082 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@@H+]1C[C@@H](C)O ZINC000186125104 375567131 /nfs/dbraw/zinc/56/71/31/375567131.db2.gz BKLBCOSQWSHLBO-MNOVXSKESA-N 1 1 310.354 -0.083 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@H+]1C[C@@H](C)O ZINC000186125104 375567132 /nfs/dbraw/zinc/56/71/32/375567132.db2.gz BKLBCOSQWSHLBO-MNOVXSKESA-N 1 1 310.354 -0.083 10 0 DBAEMO CC[C@@H]1CN(CCNS(=O)(=O)CC)CC[N@H+]1CCOC ZINC000109328894 375615173 /nfs/dbraw/zinc/61/51/73/375615173.db2.gz PWGGMWSXKUOBRU-CYBMUJFWSA-N 1 1 307.460 -0.032 10 0 DBAEMO C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)C[NH+]1CCOCC1 ZINC000159149823 376111622 /nfs/dbraw/zinc/11/16/22/376111622.db2.gz APPLJIMMHAMITJ-KGLIPLIRSA-N 1 1 314.430 -0.416 10 0 DBAEMO Cn1cc[nH+]c1CC1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000162406544 376469569 /nfs/dbraw/zinc/46/95/69/376469569.db2.gz SLDHDOPQOXPEQV-UHFFFAOYSA-N 1 1 319.365 -0.247 10 0 DBAEMO O=C(NCCNS(=O)(=O)c1ccccc1)[C@H]1COCC[NH2+]1 ZINC000262602410 377036325 /nfs/dbraw/zinc/03/63/25/377036325.db2.gz DDOPNWYXTQNWMN-GFCCVEGCSA-N 1 1 313.379 -0.931 10 0 DBAEMO O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@H]1COCC[NH2+]1 ZINC000263290290 377245979 /nfs/dbraw/zinc/24/59/79/377245979.db2.gz WBNISAWQKGREBY-TZMCWYRMSA-N 1 1 315.439 -0.701 10 0 DBAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCCNC1=O ZINC000637958555 377679451 /nfs/dbraw/zinc/67/94/51/377679451.db2.gz UYQMYWQKWKUBAA-KBPBESRZSA-N 1 1 304.394 -0.160 10 0 DBAEMO CO[C@@H]1C[C@@H](c2nncn2C)N(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000328951805 378195409 /nfs/dbraw/zinc/19/54/09/378195409.db2.gz NRHGQHVXFRYUBT-OLZOCXBDSA-N 1 1 322.413 -0.649 10 0 DBAEMO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000328983364 378198938 /nfs/dbraw/zinc/19/89/38/378198938.db2.gz YUQYAWVKAJEBBQ-OLZOCXBDSA-N 1 1 322.413 -0.351 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)NCCN2CCCS2(=O)=O)C1 ZINC000064253941 378167403 /nfs/dbraw/zinc/16/74/03/378167403.db2.gz YHVLXTCEXNJRLD-LBPRGKRZSA-N 1 1 318.443 -0.195 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)COC)CC2)C1 ZINC000194178177 378340567 /nfs/dbraw/zinc/34/05/67/378340567.db2.gz JFMAGIIYVNJXAZ-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000329096624 378458690 /nfs/dbraw/zinc/45/86/90/378458690.db2.gz BVIHNOPCQFLNLK-ZYHUDNBSSA-N 1 1 319.365 -0.038 10 0 DBAEMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000333151166 378549804 /nfs/dbraw/zinc/54/98/04/378549804.db2.gz LTBWQMMRFUOSOG-NEPJUHHUSA-N 1 1 305.382 -0.051 10 0 DBAEMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000333151169 378549842 /nfs/dbraw/zinc/54/98/42/378549842.db2.gz LTBWQMMRFUOSOG-VXGBXAGGSA-N 1 1 305.382 -0.051 10 0 DBAEMO O=C1C[NH2+]CCN1[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000333926477 378568071 /nfs/dbraw/zinc/56/80/71/378568071.db2.gz VLKCUMCGUNNEFD-SNVBAGLBSA-N 1 1 301.354 -0.247 10 0 DBAEMO Nc1ncnc2c1ncn2CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000264454123 378568239 /nfs/dbraw/zinc/56/82/39/378568239.db2.gz TVPKKEWEGUCQSJ-SNVBAGLBSA-N 1 1 301.354 -0.285 10 0 DBAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCS(=O)(=O)CC1 ZINC000104503978 378622821 /nfs/dbraw/zinc/62/28/21/378622821.db2.gz SGEZSEULSREKTP-LBPRGKRZSA-N 1 1 303.428 -0.873 10 0 DBAEMO CCc1nc(CN2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)no1 ZINC000168456291 379213055 /nfs/dbraw/zinc/21/30/55/379213055.db2.gz JBIUXMOKMKJUSB-LLVKDONJSA-N 1 1 309.370 -0.735 10 0 DBAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1C ZINC000117281832 379555808 /nfs/dbraw/zinc/55/58/08/379555808.db2.gz WXZIESXTWNMPFD-LBPRGKRZSA-N 1 1 308.382 -0.037 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1C ZINC000117281832 379555817 /nfs/dbraw/zinc/55/58/17/379555817.db2.gz WXZIESXTWNMPFD-LBPRGKRZSA-N 1 1 308.382 -0.037 10 0 DBAEMO NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000170736449 379692279 /nfs/dbraw/zinc/69/22/79/379692279.db2.gz LILCKDSIHFJQGT-OLZOCXBDSA-N 1 1 324.425 -0.312 10 0 DBAEMO CC(=O)N1CCN(C(=O)[C@H](C)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171640374 379694731 /nfs/dbraw/zinc/69/47/31/379694731.db2.gz ASWDTJCRMLSVQG-DZGCQCFKSA-N 1 1 308.426 -0.154 10 0 DBAEMO CC(C)NS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171905349 379696374 /nfs/dbraw/zinc/69/63/74/379696374.db2.gz UCVAQYIPFJFHHF-GFCCVEGCSA-N 1 1 318.443 -0.196 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000172247256 379696889 /nfs/dbraw/zinc/69/68/89/379696889.db2.gz OAHJSGWNQQDOCL-NWDGAFQWSA-N 1 1 318.443 -0.196 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000172335528 379697012 /nfs/dbraw/zinc/69/70/12/379697012.db2.gz UYAVYQLBNXJUFQ-UONOGXRCSA-N 1 1 314.430 -0.321 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000172335528 379697014 /nfs/dbraw/zinc/69/70/14/379697014.db2.gz UYAVYQLBNXJUFQ-UONOGXRCSA-N 1 1 314.430 -0.321 10 0 DBAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2=NNC(=O)CC2)CC1 ZINC000122407008 379664697 /nfs/dbraw/zinc/66/46/97/379664697.db2.gz SXXYXCXYJYLGKN-LBPRGKRZSA-N 1 1 309.414 -0.358 10 0 DBAEMO Cn1cc(N2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)cn1 ZINC000175293214 379714892 /nfs/dbraw/zinc/71/48/92/379714892.db2.gz DPNZMMUUUBIVQP-CQSZACIVSA-N 1 1 307.398 -0.475 10 0 DBAEMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)CC2 ZINC000174874511 379715099 /nfs/dbraw/zinc/71/50/99/379715099.db2.gz SHVVMYSCBDOLIS-NWDGAFQWSA-N 1 1 307.398 -0.008 10 0 DBAEMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)CC2 ZINC000174874511 379715101 /nfs/dbraw/zinc/71/51/01/379715101.db2.gz SHVVMYSCBDOLIS-NWDGAFQWSA-N 1 1 307.398 -0.008 10 0 DBAEMO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000175804742 379716417 /nfs/dbraw/zinc/71/64/17/379716417.db2.gz ITRBECALLRCPCM-UPJWGTAASA-N 1 1 310.398 -0.421 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ncn(CC(=O)N(C)C)n2)C1 ZINC000175928983 379717179 /nfs/dbraw/zinc/71/71/79/379717179.db2.gz HBGHWQDBXMBXJY-LLVKDONJSA-N 1 1 323.401 -0.028 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@H]1C ZINC000183797395 379755147 /nfs/dbraw/zinc/75/51/47/379755147.db2.gz DQLHPLDYJILKJB-GFCCVEGCSA-N 1 1 312.414 -0.125 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@H]1C ZINC000183797395 379755156 /nfs/dbraw/zinc/75/51/56/379755156.db2.gz DQLHPLDYJILKJB-GFCCVEGCSA-N 1 1 312.414 -0.125 10 0 DBAEMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000173941581 379706725 /nfs/dbraw/zinc/70/67/25/379706725.db2.gz UVMCGTXPYPMUIZ-LBPRGKRZSA-N 1 1 310.398 -0.277 10 0 DBAEMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000173941602 379707178 /nfs/dbraw/zinc/70/71/78/379707178.db2.gz UVMCGTXPYPMUIZ-GFCCVEGCSA-N 1 1 310.398 -0.277 10 0 DBAEMO Cc1nc(CN2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)no1 ZINC000174774514 379711238 /nfs/dbraw/zinc/71/12/38/379711238.db2.gz ZFYYWTAHFSELFF-ZDUSSCGKSA-N 1 1 323.397 -0.257 10 0 DBAEMO Cc1nc(CN2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)no1 ZINC000174774514 379711243 /nfs/dbraw/zinc/71/12/43/379711243.db2.gz ZFYYWTAHFSELFF-ZDUSSCGKSA-N 1 1 323.397 -0.257 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN(C)S(C)(=O)=O ZINC000175024746 379711601 /nfs/dbraw/zinc/71/16/01/379711601.db2.gz JTNVRTWDIBYQOQ-VXGBXAGGSA-N 1 1 303.428 -0.037 10 0 DBAEMO CN1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1=O ZINC000191669187 379789638 /nfs/dbraw/zinc/78/96/38/379789638.db2.gz QRPNULDGYKTLIO-UHFFFAOYSA-N 1 1 318.425 -0.108 10 0 DBAEMO COCc1cccc(CNC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185135215 379758916 /nfs/dbraw/zinc/75/89/16/379758916.db2.gz JHLKIMPUEGPBLM-HUUCEWRRSA-N 1 1 308.378 -0.123 10 0 DBAEMO COCc1cccc(CNC(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185135215 379758919 /nfs/dbraw/zinc/75/89/19/379758919.db2.gz JHLKIMPUEGPBLM-HUUCEWRRSA-N 1 1 308.378 -0.123 10 0 DBAEMO CC(=O)NCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185426275 379760665 /nfs/dbraw/zinc/76/06/65/379760665.db2.gz TUTGJOAOJLNKBX-VXGBXAGGSA-N 1 1 300.403 -0.391 10 0 DBAEMO CCN(C)C(=O)CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000186209580 379764329 /nfs/dbraw/zinc/76/43/29/379764329.db2.gz ZSDZPPHXDIJCOP-QWHCGFSZSA-N 1 1 312.414 -0.173 10 0 DBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000189314897 379778194 /nfs/dbraw/zinc/77/81/94/379778194.db2.gz HOHWRAHRYKKLSU-MRVPVSSYSA-N 1 1 324.303 -0.025 10 0 DBAEMO Cc1cc(N2CC[NH+](CCOCCO)CC2)n2ncnc2n1 ZINC000132487157 379910383 /nfs/dbraw/zinc/91/03/83/379910383.db2.gz PRKKPIOIOBDEIG-UHFFFAOYSA-N 1 1 306.370 -0.436 10 0 DBAEMO CC(=O)NCCNC(=O)CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000111563153 379878705 /nfs/dbraw/zinc/87/87/05/379878705.db2.gz QGUUNLMJFTYJKX-AWEZNQCLSA-N 1 1 324.425 -0.284 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NCC(=O)N1CCCC1 ZINC000113269246 379879022 /nfs/dbraw/zinc/87/90/22/379879022.db2.gz WTFXQCGOLKGSGR-UONOGXRCSA-N 1 1 308.426 -0.107 10 0 DBAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404151127 379901873 /nfs/dbraw/zinc/90/18/73/379901873.db2.gz MMBTWTQZKLCCFL-WDEREUQCSA-N 1 1 300.384 -0.222 10 0 DBAEMO O=S(=O)(c1cncc(F)c1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404159316 379903415 /nfs/dbraw/zinc/90/34/15/379903415.db2.gz PVMKNXLVTVOQSC-RYUDHWBXSA-N 1 1 301.343 -0.028 10 0 DBAEMO CCOCC[N@@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000245617480 379939529 /nfs/dbraw/zinc/93/95/29/379939529.db2.gz MZIMOZUYAOMUEX-OAHLLOKOSA-N 1 1 312.458 -0.197 10 0 DBAEMO CCOCC[N@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000245617480 379939535 /nfs/dbraw/zinc/93/95/35/379939535.db2.gz MZIMOZUYAOMUEX-OAHLLOKOSA-N 1 1 312.458 -0.197 10 0 DBAEMO CCOCC[N@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000245724992 379948967 /nfs/dbraw/zinc/94/89/67/379948967.db2.gz IQGUYXDNNUFPBY-CYBMUJFWSA-N 1 1 324.425 -0.373 10 0 DBAEMO CCOCCN1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000245724992 379948974 /nfs/dbraw/zinc/94/89/74/379948974.db2.gz IQGUYXDNNUFPBY-CYBMUJFWSA-N 1 1 324.425 -0.373 10 0 DBAEMO CCOCCN1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000245724992 379948979 /nfs/dbraw/zinc/94/89/79/379948979.db2.gz IQGUYXDNNUFPBY-CYBMUJFWSA-N 1 1 324.425 -0.373 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000246191583 380081020 /nfs/dbraw/zinc/08/10/20/380081020.db2.gz VOEOXWGZFNGIKE-PMPSAXMXSA-N 1 1 313.442 -0.668 10 0 DBAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NN2CCOCC2)CC1=O ZINC000246658272 380099622 /nfs/dbraw/zinc/09/96/22/380099622.db2.gz DCVPTMYLIMQJMI-UONOGXRCSA-N 1 1 324.425 -0.317 10 0 DBAEMO COCC[N@@H+]1CCN(C[C@@H](O)CN2CCOCC2)C[C@@H]1C ZINC000247186510 380102826 /nfs/dbraw/zinc/10/28/26/380102826.db2.gz NYQOQDQULITFIT-GJZGRUSLSA-N 1 1 301.431 -0.668 10 0 DBAEMO COCC[N@H+]1CCN(C[C@@H](O)CN2CCOCC2)C[C@@H]1C ZINC000247186510 380102837 /nfs/dbraw/zinc/10/28/37/380102837.db2.gz NYQOQDQULITFIT-GJZGRUSLSA-N 1 1 301.431 -0.668 10 0 DBAEMO CC(C)(CNC(=O)CN1CC[N@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000247209478 380102977 /nfs/dbraw/zinc/10/29/77/380102977.db2.gz PMHMFFRFQNATDO-HNNXBMFYSA-N 1 1 324.469 -0.007 10 0 DBAEMO CCN1CCN(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C(=O)C1=O ZINC000246966794 380103528 /nfs/dbraw/zinc/10/35/28/380103528.db2.gz DNWCUWLDSNGPRC-OLZOCXBDSA-N 1 1 322.409 -0.628 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC000247539126 380104673 /nfs/dbraw/zinc/10/46/73/380104673.db2.gz QMICKVJULZYTSM-WORDMNGFSA-N 1 1 309.410 -0.197 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCC(=O)N1CCCC1 ZINC000247521518 380104827 /nfs/dbraw/zinc/10/48/27/380104827.db2.gz WTFXQCGOLKGSGR-KBPBESRZSA-N 1 1 308.426 -0.107 10 0 DBAEMO CC[C@@H]1CN(C[C@H](O)CN2CCCC2=O)CC[N@H+]1C[C@H](C)O ZINC000247648828 380104960 /nfs/dbraw/zinc/10/49/60/380104960.db2.gz WAQRINWNHOBJAR-ZNMIVQPWSA-N 1 1 313.442 -0.253 10 0 DBAEMO CC[C@H]1CN(C[C@@H](O)CN2CCOCC2)CC[N@H+]1CCOC ZINC000247117383 380106432 /nfs/dbraw/zinc/10/64/32/380106432.db2.gz JJXRKOKVWLXRNW-HOTGVXAUSA-N 1 1 315.458 -0.278 10 0 DBAEMO CC[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1CCOC ZINC000247117383 380106437 /nfs/dbraw/zinc/10/64/37/380106437.db2.gz JJXRKOKVWLXRNW-HOTGVXAUSA-N 1 1 315.458 -0.278 10 0 DBAEMO CC[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCN1CCOC ZINC000247117383 380106446 /nfs/dbraw/zinc/10/64/46/380106446.db2.gz JJXRKOKVWLXRNW-HOTGVXAUSA-N 1 1 315.458 -0.278 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C[C@H]1C ZINC000247774068 380108013 /nfs/dbraw/zinc/10/80/13/380108013.db2.gz QADBIWSOGWJVFN-WOPDTQHZSA-N 1 1 323.445 -0.032 10 0 DBAEMO C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1n1ccnc1 ZINC000247698746 380108226 /nfs/dbraw/zinc/10/82/26/380108226.db2.gz UHPLNAKEGMMEMU-CHWSQXEVSA-N 1 1 305.382 -0.276 10 0 DBAEMO C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1n1ccnc1 ZINC000247698746 380108230 /nfs/dbraw/zinc/10/82/30/380108230.db2.gz UHPLNAKEGMMEMU-CHWSQXEVSA-N 1 1 305.382 -0.276 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C[C@@H]1C ZINC000247774067 380108263 /nfs/dbraw/zinc/10/82/63/380108263.db2.gz QADBIWSOGWJVFN-SRVKXCTJSA-N 1 1 323.445 -0.032 10 0 DBAEMO CCN1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)C1 ZINC000248471367 380110563 /nfs/dbraw/zinc/11/05/63/380110563.db2.gz VQABLWZIDPUACE-KBPBESRZSA-N 1 1 307.398 -0.386 10 0 DBAEMO CCCOCCCCCC[N@H+]1C[C@H](O)[C@H](O)[C@H](O)[C@@H]1CO ZINC000006891050 380649445 /nfs/dbraw/zinc/64/94/45/380649445.db2.gz OLYHECNPMKMYII-XQLPTFJDSA-N 1 1 305.415 -0.267 10 0 DBAEMO O=C(c1cnccn1)N1CCC2(C[C@H]3C(=O)NCC[N@@H+]3C2)CC1 ZINC000169787685 380653233 /nfs/dbraw/zinc/65/32/33/380653233.db2.gz QGCGMTFOCPWJLU-ZDUSSCGKSA-N 1 1 315.377 -0.097 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250008702 381093827 /nfs/dbraw/zinc/09/38/27/381093827.db2.gz UKQCBLFXMUFEBC-NSHDSACASA-N 1 1 305.400 -0.494 10 0 DBAEMO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1COCC[NH2+]1 ZINC000237953716 381137737 /nfs/dbraw/zinc/13/77/37/381137737.db2.gz HJOAZJKLTOOPDJ-CVEARBPZSA-N 1 1 319.405 -0.008 10 0 DBAEMO CCC[N@H+](C[C@@H](O)CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000128073901 381346705 /nfs/dbraw/zinc/34/67/05/381346705.db2.gz HILPGZYBUYLXMY-CHWSQXEVSA-N 1 1 318.439 -0.131 10 0 DBAEMO CCC[N@@H+](C[C@@H](O)CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000128073901 381346712 /nfs/dbraw/zinc/34/67/12/381346712.db2.gz HILPGZYBUYLXMY-CHWSQXEVSA-N 1 1 318.439 -0.131 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C[C@@H]1C ZINC000246255633 381581202 /nfs/dbraw/zinc/58/12/02/381581202.db2.gz OXRLDUBNEUNULQ-QWRGUYRKSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C[C@@H]1C ZINC000246255633 381581208 /nfs/dbraw/zinc/58/12/08/381581208.db2.gz OXRLDUBNEUNULQ-QWRGUYRKSA-N 1 1 309.370 -0.728 10 0 DBAEMO CN(CC(=O)N1CC[C@H]([NH+](C)C)C1)c1ncnc2[nH]cnc21 ZINC000170865739 381566273 /nfs/dbraw/zinc/56/62/73/381566273.db2.gz MZSUNVOLTJWYKL-JTQLQIEISA-N 1 1 303.370 -0.048 10 0 DBAEMO CN(CC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ncnc2[nH]cnc21 ZINC000170865735 381566772 /nfs/dbraw/zinc/56/67/72/381566772.db2.gz MZSUNVOLTJWYKL-SNVBAGLBSA-N 1 1 303.370 -0.048 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1C ZINC000247140559 381595352 /nfs/dbraw/zinc/59/53/52/381595352.db2.gz PGFQBJOIRFJNOU-VXGBXAGGSA-N 1 1 300.403 -0.175 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1C ZINC000247140559 381595360 /nfs/dbraw/zinc/59/53/60/381595360.db2.gz PGFQBJOIRFJNOU-VXGBXAGGSA-N 1 1 300.403 -0.175 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000247194336 381596218 /nfs/dbraw/zinc/59/62/18/381596218.db2.gz WTSPBPUEVFWNLT-NEPJUHHUSA-N 1 1 306.366 -0.066 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000247194336 381596225 /nfs/dbraw/zinc/59/62/25/381596225.db2.gz WTSPBPUEVFWNLT-NEPJUHHUSA-N 1 1 306.366 -0.066 10 0 DBAEMO COC(=O)Cn1cc(CC[N@H+]2CCC[C@H](NC(C)=O)C2)nn1 ZINC000156204622 381702414 /nfs/dbraw/zinc/70/24/14/381702414.db2.gz FKIZZNNGANOIRH-LBPRGKRZSA-N 1 1 309.370 -0.406 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NCCC(=O)N(C)C)C[C@@H]1C ZINC000172327141 381893683 /nfs/dbraw/zinc/89/36/83/381893683.db2.gz GCNFAUHPDUPYMU-LBPRGKRZSA-N 1 1 300.403 -0.173 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NCCC(=O)N(C)C)C[C@@H]1C ZINC000172327141 381893686 /nfs/dbraw/zinc/89/36/86/381893686.db2.gz GCNFAUHPDUPYMU-LBPRGKRZSA-N 1 1 300.403 -0.173 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000181807905 382074621 /nfs/dbraw/zinc/07/46/21/382074621.db2.gz BGSXWKNCQDIECB-CHWSQXEVSA-N 1 1 312.414 -0.295 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)Nc2nccn(C)c2=O)C[C@H]1C ZINC000183826905 382097186 /nfs/dbraw/zinc/09/71/86/382097186.db2.gz LYDFBUGRFSXEMM-LLVKDONJSA-N 1 1 309.370 -0.035 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)Nc2nccn(C)c2=O)C[C@H]1C ZINC000183826905 382097191 /nfs/dbraw/zinc/09/71/91/382097191.db2.gz LYDFBUGRFSXEMM-LLVKDONJSA-N 1 1 309.370 -0.035 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCNC(=O)C2CC2)CC1 ZINC000184721718 382099781 /nfs/dbraw/zinc/09/97/81/382099781.db2.gz FPMARTUGZLOAIY-CYBMUJFWSA-N 1 1 312.414 -0.389 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404169064 382405668 /nfs/dbraw/zinc/40/56/68/382405668.db2.gz UYICSAVLKUROPY-WDEREUQCSA-N 1 1 300.384 -0.346 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000245836946 382693984 /nfs/dbraw/zinc/69/39/84/382693984.db2.gz BKYWTNYMFGPAQX-OLZOCXBDSA-N 1 1 312.414 -0.295 10 0 DBAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245906529 382694191 /nfs/dbraw/zinc/69/41/91/382694191.db2.gz HSBYUBDZDBJCGZ-JSGCOSHPSA-N 1 1 308.426 -0.108 10 0 DBAEMO C[NH+]1CCN(C(=O)[C@@H]2CO[C@H]3CN(c4ccncn4)C[C@H]32)CC1 ZINC000248141308 257108485 /nfs/dbraw/zinc/10/84/85/257108485.db2.gz QIIATAZJFYEDJK-MJBXVCDLSA-N 1 1 317.393 -0.298 10 0 DBAEMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cnc(C)cn3)C[C@H]2[N@@H+]1C ZINC000248077189 257109521 /nfs/dbraw/zinc/10/95/21/257109521.db2.gz ZHWIRRXRMMEJPE-WCFLWFBJSA-N 1 1 303.366 -0.324 10 0 DBAEMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cnc(C)cn3)C[C@H]2[N@H+]1C ZINC000248077189 257109522 /nfs/dbraw/zinc/10/95/22/257109522.db2.gz ZHWIRRXRMMEJPE-WCFLWFBJSA-N 1 1 303.366 -0.324 10 0 DBAEMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nccn3C)C[C@@H]2C1 ZINC000248100384 257109700 /nfs/dbraw/zinc/10/97/00/257109700.db2.gz DOQIBKSVMJRJBV-NEPJUHHUSA-N 1 1 305.382 -0.440 10 0 DBAEMO Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1=O ZINC000275717226 130371634 /nfs/dbraw/zinc/37/16/34/130371634.db2.gz OCUCEPUEYBICPA-OLZOCXBDSA-N 1 1 319.409 -0.041 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n(C)n1 ZINC000177606157 391936793 /nfs/dbraw/zinc/93/67/93/391936793.db2.gz PDMHLHJXASMTCY-NWDGAFQWSA-N 1 1 323.397 -0.419 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n(C)n1 ZINC000177606157 391936799 /nfs/dbraw/zinc/93/67/99/391936799.db2.gz PDMHLHJXASMTCY-NWDGAFQWSA-N 1 1 323.397 -0.419 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@@H]1O ZINC000351828573 392127860 /nfs/dbraw/zinc/12/78/60/392127860.db2.gz OJKJDNPRHYYROA-SUNKGSAMSA-N 1 1 304.346 -0.044 10 0 DBAEMO NC(=O)[C@]1(O)CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000286035463 131216427 /nfs/dbraw/zinc/21/64/27/131216427.db2.gz DNQQKLVLPKZPFQ-ZBFHGGJFSA-N 1 1 308.378 -0.124 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC000106396708 392503273 /nfs/dbraw/zinc/50/32/73/392503273.db2.gz GRNLZLFWYRQXSG-LLVKDONJSA-N 1 1 310.354 -0.163 10 0 DBAEMO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)COC(C)(C)C ZINC000175594816 392630637 /nfs/dbraw/zinc/63/06/37/392630637.db2.gz QCMXSYMHOIWJJT-KBPBESRZSA-N 1 1 304.431 -0.213 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000164512703 392657084 /nfs/dbraw/zinc/65/70/84/392657084.db2.gz WPNPNEZDUKXFAJ-AWEZNQCLSA-N 1 1 320.393 -0.274 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000164512828 392657802 /nfs/dbraw/zinc/65/78/02/392657802.db2.gz WPNPNEZDUKXFAJ-CQSZACIVSA-N 1 1 320.393 -0.274 10 0 DBAEMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000408049177 392788198 /nfs/dbraw/zinc/78/81/98/392788198.db2.gz WIRLXUYBQTUVGC-NQBHXWOUSA-N 1 1 310.398 -0.881 10 0 DBAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119645315 132135853 /nfs/dbraw/zinc/13/58/53/132135853.db2.gz PXBANVKGNNYNLL-KGLIPLIRSA-N 1 1 307.398 -0.027 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCc2cc(C(N)=O)co2)CC1 ZINC000188034376 392994667 /nfs/dbraw/zinc/99/46/67/392994667.db2.gz BEKKGPBDVOKBBZ-LBPRGKRZSA-N 1 1 324.381 -0.023 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC000328989905 393032024 /nfs/dbraw/zinc/03/20/24/393032024.db2.gz CTNJGSZPCNYEGI-HONMWMINSA-N 1 1 305.382 -0.159 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C)CC1 ZINC000189461682 393048841 /nfs/dbraw/zinc/04/88/41/393048841.db2.gz XPFZBDRAHLBVFP-NSHDSACASA-N 1 1 309.370 -0.726 10 0 DBAEMO COCC[N@@H+](CCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000264284097 393060478 /nfs/dbraw/zinc/06/04/78/393060478.db2.gz PLLDFFIGZNULEC-LBPRGKRZSA-N 1 1 322.361 -0.416 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248666500 393408443 /nfs/dbraw/zinc/40/84/43/393408443.db2.gz NEYHMNRQEWQZFP-UTUOFQBUSA-N 1 1 303.428 -0.039 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000248644597 393373901 /nfs/dbraw/zinc/37/39/01/393373901.db2.gz SAXGADIWYOUQFE-MELADBBJSA-N 1 1 314.430 -0.587 10 0 DBAEMO NC(=O)c1c[nH+]ccc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000302053127 393414503 /nfs/dbraw/zinc/41/45/03/393414503.db2.gz YFQDGDXABNHPBT-UHFFFAOYSA-N 1 1 324.348 -0.055 10 0 DBAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193644773 393526885 /nfs/dbraw/zinc/52/68/85/393526885.db2.gz QLCZFMDXMLVWOT-RWMBFGLXSA-N 1 1 308.426 -0.395 10 0 DBAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193644788 393527005 /nfs/dbraw/zinc/52/70/05/393527005.db2.gz QLCZFMDXMLVWOT-UPJWGTAASA-N 1 1 308.426 -0.395 10 0 DBAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC000247383285 393593141 /nfs/dbraw/zinc/59/31/41/393593141.db2.gz PWYUERHNQWCGNT-WDEREUQCSA-N 1 1 306.432 -0.437 10 0 DBAEMO CN(C)C(=O)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000152587124 393784942 /nfs/dbraw/zinc/78/49/42/393784942.db2.gz NOPAIIPQCFFEAV-GFCCVEGCSA-N 1 1 310.398 -0.770 10 0 DBAEMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 ZINC000329312322 287093008 /nfs/dbraw/zinc/09/30/08/287093008.db2.gz GMPUAGKLCHEWOU-UPJWGTAASA-N 1 1 313.398 -0.853 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000328981139 544456479 /nfs/dbraw/zinc/45/64/79/544456479.db2.gz RRJAEXBYFBEAEK-KBUPBQIOSA-N 1 1 312.410 -0.169 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000328981139 544456481 /nfs/dbraw/zinc/45/64/81/544456481.db2.gz RRJAEXBYFBEAEK-KBUPBQIOSA-N 1 1 312.410 -0.169 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328981138 544456664 /nfs/dbraw/zinc/45/66/64/544456664.db2.gz RRJAEXBYFBEAEK-BARDWOONSA-N 1 1 312.410 -0.169 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328981138 544456667 /nfs/dbraw/zinc/45/66/67/544456667.db2.gz RRJAEXBYFBEAEK-BARDWOONSA-N 1 1 312.410 -0.169 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)[N@H+](C)C1 ZINC000328977694 544456740 /nfs/dbraw/zinc/45/67/40/544456740.db2.gz WSQUIPNENVFQMZ-KCQAQPDRSA-N 1 1 323.397 -0.649 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)[N@@H+](C)C1 ZINC000328977694 544456747 /nfs/dbraw/zinc/45/67/47/544456747.db2.gz WSQUIPNENVFQMZ-KCQAQPDRSA-N 1 1 323.397 -0.649 10 0 DBAEMO Cn1ccnc1[C@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CCN1C ZINC000329916630 544494838 /nfs/dbraw/zinc/49/48/38/544494838.db2.gz QIGPFWVJFIQYHM-UONOGXRCSA-N 1 1 321.425 -0.308 10 0 DBAEMO Cn1ccnc1[C@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)CCN1C ZINC000329916630 544494841 /nfs/dbraw/zinc/49/48/41/544494841.db2.gz QIGPFWVJFIQYHM-UONOGXRCSA-N 1 1 321.425 -0.308 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@@H](Cn3cccn3)C2)[N@@H+](C)C1 ZINC000329048087 544465613 /nfs/dbraw/zinc/46/56/13/544465613.db2.gz VTORQCGYVCPIOX-MJBXVCDLSA-N 1 1 308.382 -0.170 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000329669950 544486357 /nfs/dbraw/zinc/48/63/57/544486357.db2.gz SRHBGCWYOQQEPF-LLVKDONJSA-N 1 1 312.370 -0.052 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000329669950 544486361 /nfs/dbraw/zinc/48/63/61/544486361.db2.gz SRHBGCWYOQQEPF-LLVKDONJSA-N 1 1 312.370 -0.052 10 0 DBAEMO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333591929 544560656 /nfs/dbraw/zinc/56/06/56/544560656.db2.gz OOOQRAXJKOBNKY-XQQFMLRXSA-N 1 1 310.398 -0.230 10 0 DBAEMO Cn1cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c(=O)n(C)c1=O ZINC000188400710 545036635 /nfs/dbraw/zinc/03/66/35/545036635.db2.gz DHPXKQPHDBMMTJ-CYBMUJFWSA-N 1 1 303.366 -0.055 10 0 DBAEMO C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)CC[N@H+]1CC(C)(C)O ZINC000408160306 288000974 /nfs/dbraw/zinc/00/09/74/288000974.db2.gz IYNKMWMNVLKKJU-IJLUTSLNSA-N 1 1 313.398 -0.677 10 0 DBAEMO CC(=O)NCCCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175676282 278101587 /nfs/dbraw/zinc/10/15/87/278101587.db2.gz JUPMAXKVEWSPDP-TZMCWYRMSA-N 1 1 312.414 -0.125 10 0 DBAEMO CC(=O)NCCNC(=O)CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247461533 278114086 /nfs/dbraw/zinc/11/40/86/278114086.db2.gz QWCWDXVXLMQNCR-JSGCOSHPSA-N 1 1 324.425 -0.286 10 0 DBAEMO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000407998710 278145242 /nfs/dbraw/zinc/14/52/42/278145242.db2.gz RIPFVJJCJSDRHP-MRVWCRGKSA-N 1 1 324.425 -0.301 10 0 DBAEMO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000407998710 278145245 /nfs/dbraw/zinc/14/52/45/278145245.db2.gz RIPFVJJCJSDRHP-MRVWCRGKSA-N 1 1 324.425 -0.301 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)CC)CC1 ZINC000187877795 288108051 /nfs/dbraw/zinc/10/80/51/288108051.db2.gz RQWLVHZOIYBDJW-STQMWFEESA-N 1 1 314.430 -0.049 10 0 DBAEMO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000173725874 288311850 /nfs/dbraw/zinc/31/18/50/288311850.db2.gz BVMKLMMPNNNVLA-NWDGAFQWSA-N 1 1 324.468 -0.081 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000173725874 288311852 /nfs/dbraw/zinc/31/18/52/288311852.db2.gz BVMKLMMPNNNVLA-NWDGAFQWSA-N 1 1 324.468 -0.081 10 0 DBAEMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CN1CCN(C)C(=O)C1 ZINC000329450778 289045072 /nfs/dbraw/zinc/04/50/72/289045072.db2.gz CPEGDMNDACDTNI-ZIAGYGMSSA-N 1 1 324.425 -0.918 10 0 DBAEMO CN(C)[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21)c1cncn1C ZINC000285056096 289346116 /nfs/dbraw/zinc/34/61/16/289346116.db2.gz QOPPMZXXDCWIJZ-ILXRZTDVSA-N 1 1 321.425 -0.046 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC000329181238 290090993 /nfs/dbraw/zinc/09/09/93/290090993.db2.gz DSIZXDPYWGPYEZ-NEPJUHHUSA-N 1 1 311.382 -0.561 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(CCN2CCCS2(=O)=O)C[C@@H]1C ZINC000407951640 290112944 /nfs/dbraw/zinc/11/29/44/290112944.db2.gz PZAURWVYTNIECU-STQMWFEESA-N 1 1 305.444 -0.591 10 0 DBAEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000103285600 300056803 /nfs/dbraw/zinc/05/68/03/300056803.db2.gz XGUAIHHMQDVALI-STQMWFEESA-N 1 1 324.425 -0.299 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000116317895 519570780 /nfs/dbraw/zinc/57/07/80/519570780.db2.gz YXTMOOUEKRSKBK-CQSZACIVSA-N 1 1 319.409 -0.100 10 0 DBAEMO CCCNC(=O)NC(=O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000105831626 519884286 /nfs/dbraw/zinc/88/42/86/519884286.db2.gz QFBFWGSWDRTCRS-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO CCCNC(=O)NC(=O)CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000105831626 519884287 /nfs/dbraw/zinc/88/42/87/519884287.db2.gz QFBFWGSWDRTCRS-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000245435161 520253817 /nfs/dbraw/zinc/25/38/17/520253817.db2.gz CSBYKKWEANDSNZ-ZIAGYGMSSA-N 1 1 310.442 -0.016 10 0 DBAEMO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000105147297 523580648 /nfs/dbraw/zinc/58/06/48/523580648.db2.gz IVABIYZCVBTWRV-ZDUSSCGKSA-N 1 1 302.419 -0.416 10 0 DBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000344706273 523769697 /nfs/dbraw/zinc/76/96/97/523769697.db2.gz JGJQWVCUZDCMMK-JHJVBQTASA-N 1 1 306.428 -0.260 10 0 DBAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000111857434 523831744 /nfs/dbraw/zinc/83/17/44/523831744.db2.gz YOKIBSLFHTYYRK-KBPBESRZSA-N 1 1 314.430 -0.273 10 0 DBAEMO CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCNC1=O ZINC000333084455 523870229 /nfs/dbraw/zinc/87/02/29/523870229.db2.gz MUHMWMZXJWDVLT-LBPRGKRZSA-N 1 1 311.430 -0.458 10 0 DBAEMO C[C@@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)C[NH+]1CCOCC1 ZINC000191452954 524665326 /nfs/dbraw/zinc/66/53/26/524665326.db2.gz LIWIKHPPYZQCDE-STQMWFEESA-N 1 1 312.414 -0.125 10 0 DBAEMO C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333591926 525590067 /nfs/dbraw/zinc/59/00/67/525590067.db2.gz OOOQRAXJKOBNKY-RWMBFGLXSA-N 1 1 310.398 -0.230 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(Cc2nc(N)nc(N(C)C)n2)C[C@@H]1C ZINC000106099676 525800289 /nfs/dbraw/zinc/80/02/89/525800289.db2.gz LEQVGTKCKZDKAX-WDEREUQCSA-N 1 1 309.418 -0.593 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC000247019100 526963187 /nfs/dbraw/zinc/96/31/87/526963187.db2.gz CPUPHXRNYKAWRG-OLZOCXBDSA-N 1 1 320.397 -0.361 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC000247019100 526963189 /nfs/dbraw/zinc/96/31/89/526963189.db2.gz CPUPHXRNYKAWRG-OLZOCXBDSA-N 1 1 320.397 -0.361 10 0 DBAEMO O=C1CCCN1C[C@@H](O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000111685136 526976197 /nfs/dbraw/zinc/97/61/97/526976197.db2.gz VQNIYAUCVANUFO-ZDUSSCGKSA-N 1 1 305.382 -0.418 10 0 DBAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC000182305648 527446965 /nfs/dbraw/zinc/44/69/65/527446965.db2.gz PWHUHCAYQUQMFO-GFCCVEGCSA-N 1 1 304.354 -0.222 10 0 DBAEMO CCn1nccc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408026787 535888249 /nfs/dbraw/zinc/88/82/49/535888249.db2.gz GVRZTICQYDUTOH-RYUDHWBXSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1nccc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408026787 535888256 /nfs/dbraw/zinc/88/82/56/535888256.db2.gz GVRZTICQYDUTOH-RYUDHWBXSA-N 1 1 314.411 -0.003 10 0 DBAEMO CC[C@@](C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000408405813 536003588 /nfs/dbraw/zinc/00/35/88/536003588.db2.gz KWHBPWMIIJQXJG-OAHLLOKOSA-N 1 1 313.398 -0.850 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC000408044297 536468812 /nfs/dbraw/zinc/46/88/12/536468812.db2.gz UGGHOLQEHGLKEX-OLZOCXBDSA-N 1 1 304.350 -0.274 10 0 DBAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H](N)CC(N)=O ZINC000389912142 664169509 /nfs/dbraw/zinc/16/95/09/664169509.db2.gz JOGLJJCMUUXGOC-BNOWGMLFSA-N 1 1 304.394 -0.174 10 0 DBAEMO COC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000262332837 664450800 /nfs/dbraw/zinc/45/08/00/664450800.db2.gz RVHZGHBEZOPJLM-GFCCVEGCSA-N 1 1 300.380 -0.309 10 0 DBAEMO C[C@H]1CN(C(=O)NCc2cnnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000332894519 665265977 /nfs/dbraw/zinc/26/59/77/665265977.db2.gz WCWZDBKSVHZQOJ-WCQYABFASA-N 1 1 308.386 -0.323 10 0 DBAEMO CC[N@@H+]1CCC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1 ZINC000062652455 674919313 /nfs/dbraw/zinc/91/93/13/674919313.db2.gz AQSHQRZUFSCITK-AAEUAGOBSA-N 1 1 318.443 -0.148 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1 ZINC000062652455 674919314 /nfs/dbraw/zinc/91/93/14/674919314.db2.gz AQSHQRZUFSCITK-AAEUAGOBSA-N 1 1 318.443 -0.148 10 0 DBAEMO COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])CCSC ZINC000096921285 185391827 /nfs/dbraw/zinc/39/18/27/185391827.db2.gz YXYLWAIFXDRBQA-UWVGGRQHSA-N 1 1 300.384 -0.310 10 0 DBAEMO C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)ncn3)C[C@@H]21 ZINC000153170834 283016280 /nfs/dbraw/zinc/01/62/80/283016280.db2.gz PTRCEIOGMXVADG-HZSPNIEDSA-N 1 1 319.409 -0.043 10 0 DBAEMO OC[C@H]1C[C@@H](F)C[N@@H+]1CC1(CN2C[C@@H](F)C[C@H]2CO)COC1 ZINC000372598758 138168399 /nfs/dbraw/zinc/16/83/99/138168399.db2.gz DQJIKTSZTQZCGC-KPWCQOOUSA-N 1 1 320.380 -0.188 10 0 DBAEMO OC[C@H]1C[C@@H](F)CN1CC1(C[N@@H+]2C[C@@H](F)C[C@H]2CO)COC1 ZINC000372598758 138168400 /nfs/dbraw/zinc/16/84/00/138168400.db2.gz DQJIKTSZTQZCGC-KPWCQOOUSA-N 1 1 320.380 -0.188 10 0 DBAEMO OC[C@H]1C[C@@H](F)CN1CC1(C[N@H+]2C[C@@H](F)C[C@H]2CO)COC1 ZINC000372598758 138168401 /nfs/dbraw/zinc/16/84/01/138168401.db2.gz DQJIKTSZTQZCGC-KPWCQOOUSA-N 1 1 320.380 -0.188 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000376121093 138185400 /nfs/dbraw/zinc/18/54/00/138185400.db2.gz YNYCCOSUVRFVPM-UTUOFQBUSA-N 1 1 303.428 -0.181 10 0 DBAEMO CC(=O)N1CC[C@H](C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000407972881 138200537 /nfs/dbraw/zinc/20/05/37/138200537.db2.gz HRFBNYIDAYENSY-AWEZNQCLSA-N 1 1 310.442 -0.003 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](Cn2cncn2)C1 ZINC000408032198 138203422 /nfs/dbraw/zinc/20/34/22/138203422.db2.gz SSSLJANQRKBUPQ-GJZGRUSLSA-N 1 1 318.425 -0.093 10 0 DBAEMO CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[N@H+]3CCN1CCC3)CC2 ZINC000408028021 138203963 /nfs/dbraw/zinc/20/39/63/138203963.db2.gz CDYJWEIKRQGVDV-CHWSQXEVSA-N 1 1 318.425 -0.339 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408033248 138204412 /nfs/dbraw/zinc/20/44/12/138204412.db2.gz JOKOTWHGMIPUHU-CHWSQXEVSA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000408033248 138204413 /nfs/dbraw/zinc/20/44/13/138204413.db2.gz JOKOTWHGMIPUHU-CHWSQXEVSA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000408033248 138204414 /nfs/dbraw/zinc/20/44/14/138204414.db2.gz JOKOTWHGMIPUHU-CHWSQXEVSA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000408046697 138204825 /nfs/dbraw/zinc/20/48/25/138204825.db2.gz CRXGSRCBYFTUPI-MRXNPFEDSA-N 1 1 312.410 -0.023 10 0 DBAEMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1cnc2c1ncnc2N ZINC000408073437 138206209 /nfs/dbraw/zinc/20/62/09/138206209.db2.gz UASUFBQEQYFCMU-VHSXEESVSA-N 1 1 303.370 -0.041 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H](NC(=O)NC)C2)CC1 ZINC000408254883 138212679 /nfs/dbraw/zinc/21/26/79/138212679.db2.gz FXIXDWXZHOJRMC-OLZOCXBDSA-N 1 1 311.430 -0.458 10 0 DBAEMO Cc1nnc(CCNC(=O)C2CC[NH+](CC(N)=O)CC2)s1 ZINC000091998068 193139582 /nfs/dbraw/zinc/13/95/82/193139582.db2.gz FIYNYLZYNGBDBT-UHFFFAOYSA-N 1 1 311.411 -0.297 10 0 DBAEMO N=C(NC(=O)c1nc(Cl)c(N)nc1N)N[C@@H]1CCC[NH2+]C1 ZINC000216828108 374393089 /nfs/dbraw/zinc/39/30/89/374393089.db2.gz HJJNECZEQMEYSX-RXMQYKEDSA-N 1 1 312.765 -0.909 10 0 DBAEMO C[C@@H]1C[N@H+](C)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000074755614 374486523 /nfs/dbraw/zinc/48/65/23/374486523.db2.gz QQXZJGQWSXMYRZ-LLVKDONJSA-N 1 1 303.428 -0.180 10 0 DBAEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000074755614 374486527 /nfs/dbraw/zinc/48/65/27/374486527.db2.gz QQXZJGQWSXMYRZ-LLVKDONJSA-N 1 1 303.428 -0.180 10 0 DBAEMO CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088358206 374622584 /nfs/dbraw/zinc/62/25/84/374622584.db2.gz YQDFOHDEOTVTOY-GFCCVEGCSA-N 1 1 319.427 -0.705 10 0 DBAEMO C[N@@H+](CC(=O)N1CCC[C@@](O)(C(N)=O)C1)[C@H]1CCSC1 ZINC000408056744 374694573 /nfs/dbraw/zinc/69/45/73/374694573.db2.gz LACDZEDQPMVGBQ-GWCFXTLKSA-N 1 1 301.412 -0.738 10 0 DBAEMO CNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000247486486 374802443 /nfs/dbraw/zinc/80/24/43/374802443.db2.gz GJULUEFNDBMBHM-YPMHNXCESA-N 1 1 305.382 -0.017 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000113232189 374960693 /nfs/dbraw/zinc/96/06/93/374960693.db2.gz TYMWEPSSURSFGP-VXGBXAGGSA-N 1 1 306.366 -0.758 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000113232567 374960978 /nfs/dbraw/zinc/96/09/78/374960978.db2.gz HRMGXWQZXVQUNQ-NWDGAFQWSA-N 1 1 320.397 -0.325 10 0 DBAEMO Cn1cc([C@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)cn1 ZINC000127873297 374964792 /nfs/dbraw/zinc/96/47/92/374964792.db2.gz QVQJHXVUDJXRKR-ZFWWWQNUSA-N 1 1 308.382 -0.175 10 0 DBAEMO Cn1cc([C@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)cn1 ZINC000127873297 374964800 /nfs/dbraw/zinc/96/48/00/374964800.db2.gz QVQJHXVUDJXRKR-ZFWWWQNUSA-N 1 1 308.382 -0.175 10 0 DBAEMO CNC(=O)NC(=O)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105800683 374909092 /nfs/dbraw/zinc/90/90/92/374909092.db2.gz KQPHDURVPJONGI-UHFFFAOYSA-N 1 1 306.370 -0.247 10 0 DBAEMO CNC(=O)NC(=O)C[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105800683 374909097 /nfs/dbraw/zinc/90/90/97/374909097.db2.gz KQPHDURVPJONGI-UHFFFAOYSA-N 1 1 306.370 -0.247 10 0 DBAEMO CNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105868994 374911454 /nfs/dbraw/zinc/91/14/54/374911454.db2.gz KMGMWVKTWMGGQP-GFCCVEGCSA-N 1 1 322.413 -0.228 10 0 DBAEMO CNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105868994 374911458 /nfs/dbraw/zinc/91/14/58/374911458.db2.gz KMGMWVKTWMGGQP-GFCCVEGCSA-N 1 1 322.413 -0.228 10 0 DBAEMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868994 374911463 /nfs/dbraw/zinc/91/14/63/374911463.db2.gz KMGMWVKTWMGGQP-GFCCVEGCSA-N 1 1 322.413 -0.228 10 0 DBAEMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868994 374911470 /nfs/dbraw/zinc/91/14/70/374911470.db2.gz KMGMWVKTWMGGQP-GFCCVEGCSA-N 1 1 322.413 -0.228 10 0 DBAEMO C[C@@H](C(N)=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000105894306 374911722 /nfs/dbraw/zinc/91/17/22/374911722.db2.gz ULHAOANXWBHPAO-KBPBESRZSA-N 1 1 307.394 -0.082 10 0 DBAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105919949 374914634 /nfs/dbraw/zinc/91/46/34/374914634.db2.gz AZHJDEKBUNWQDP-ZDUSSCGKSA-N 1 1 323.397 -0.104 10 0 DBAEMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@](C)(O)C1 ZINC000248338685 375076220 /nfs/dbraw/zinc/07/62/20/375076220.db2.gz HYARMSPUSUDOBR-BBRMVZONSA-N 1 1 319.409 -0.030 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)CNC(=O)c2cccnc2)C[C@@H]1C ZINC000152476391 375328153 /nfs/dbraw/zinc/32/81/53/375328153.db2.gz XJKZQHYCMAFEEX-ZDUSSCGKSA-N 1 1 320.393 -0.010 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)CNC(=O)c2cccnc2)C[C@@H]1C ZINC000152476391 375328157 /nfs/dbraw/zinc/32/81/57/375328157.db2.gz XJKZQHYCMAFEEX-ZDUSSCGKSA-N 1 1 320.393 -0.010 10 0 DBAEMO C[C@@H](O)C[N@@H+](CCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000289824613 375388769 /nfs/dbraw/zinc/38/87/69/375388769.db2.gz OIAYSHXOSUCJSI-NEPJUHHUSA-N 1 1 322.361 -0.681 10 0 DBAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCC(=O)N(C)C ZINC000154288494 375352646 /nfs/dbraw/zinc/35/26/46/375352646.db2.gz DTPALMAELPOEIO-GFCCVEGCSA-N 1 1 321.381 -0.613 10 0 DBAEMO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171503995 375473016 /nfs/dbraw/zinc/47/30/16/375473016.db2.gz LNUOFMADTVMCPP-LLVKDONJSA-N 1 1 310.354 -0.078 10 0 DBAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171503995 375473028 /nfs/dbraw/zinc/47/30/28/375473028.db2.gz LNUOFMADTVMCPP-LLVKDONJSA-N 1 1 310.354 -0.078 10 0 DBAEMO C[C@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)CC[N@H+]1C ZINC000332790778 375411636 /nfs/dbraw/zinc/41/16/36/375411636.db2.gz LQYLZFKQPIQLEV-QNWHQSFQSA-N 1 1 308.386 0.000 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000175047839 375494538 /nfs/dbraw/zinc/49/45/38/375494538.db2.gz FUTOVPSULHPEBF-CHWSQXEVSA-N 1 1 320.393 -0.368 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000177610376 375509169 /nfs/dbraw/zinc/50/91/69/375509169.db2.gz WTSPBPUEVFWNLT-NWDGAFQWSA-N 1 1 306.366 -0.066 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000177610376 375509174 /nfs/dbraw/zinc/50/91/74/375509174.db2.gz WTSPBPUEVFWNLT-NWDGAFQWSA-N 1 1 306.366 -0.066 10 0 DBAEMO Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179179961 375517117 /nfs/dbraw/zinc/51/71/17/375517117.db2.gz VMBNCGXZAXTCHN-ZIAGYGMSSA-N 1 1 308.378 -0.082 10 0 DBAEMO Cc1cccc(OCCNC(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179179961 375517123 /nfs/dbraw/zinc/51/71/23/375517123.db2.gz VMBNCGXZAXTCHN-ZIAGYGMSSA-N 1 1 308.378 -0.082 10 0 DBAEMO CC[C@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCOC ZINC000179512846 375521948 /nfs/dbraw/zinc/52/19/48/375521948.db2.gz FSPHXXWEIGDOHB-AWEZNQCLSA-N 1 1 324.425 -0.373 10 0 DBAEMO CC[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCN1CCOC ZINC000179512846 375521952 /nfs/dbraw/zinc/52/19/52/375521952.db2.gz FSPHXXWEIGDOHB-AWEZNQCLSA-N 1 1 324.425 -0.373 10 0 DBAEMO CC[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCN1CCOC ZINC000179512846 375521959 /nfs/dbraw/zinc/52/19/59/375521959.db2.gz FSPHXXWEIGDOHB-AWEZNQCLSA-N 1 1 324.425 -0.373 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@@H+]1C[C@@H](C)O ZINC000186125081 375567501 /nfs/dbraw/zinc/56/75/01/375567501.db2.gz BKLBCOSQWSHLBO-GHMZBOCLSA-N 1 1 310.354 -0.083 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@H+]1C[C@@H](C)O ZINC000186125081 375567507 /nfs/dbraw/zinc/56/75/07/375567507.db2.gz BKLBCOSQWSHLBO-GHMZBOCLSA-N 1 1 310.354 -0.083 10 0 DBAEMO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ncc[nH]3)C2)CC1 ZINC000601340574 375573547 /nfs/dbraw/zinc/57/35/47/375573547.db2.gz UXODIQWZYFCBKW-GFCCVEGCSA-N 1 1 313.427 -0.190 10 0 DBAEMO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ncc[nH]3)C2)CC1 ZINC000601340575 375573975 /nfs/dbraw/zinc/57/39/75/375573975.db2.gz UXODIQWZYFCBKW-LBPRGKRZSA-N 1 1 313.427 -0.190 10 0 DBAEMO C[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)C[NH+]1CCOCC1 ZINC000159149439 376111154 /nfs/dbraw/zinc/11/11/54/376111154.db2.gz APPLJIMMHAMITJ-UONOGXRCSA-N 1 1 314.430 -0.416 10 0 DBAEMO C[NH+]1CCN(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000009914793 376305360 /nfs/dbraw/zinc/30/53/60/376305360.db2.gz JLXWTFIGWXMCAL-UHFFFAOYSA-N 1 1 320.349 -0.690 10 0 DBAEMO O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H]1COCC[NH2+]1 ZINC000262616445 377068844 /nfs/dbraw/zinc/06/88/44/377068844.db2.gz LEUHPWSSGHFLFU-GFCCVEGCSA-N 1 1 303.318 -0.613 10 0 DBAEMO C[N@H+]1CCO[C@H]2CCN(c3ncc(S(N)(=O)=O)s3)C[C@@H]21 ZINC000328934893 378193342 /nfs/dbraw/zinc/19/33/42/378193342.db2.gz FJLOLSGQYOEUMM-IUCAKERBSA-N 1 1 318.424 -0.300 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000181799881 378322474 /nfs/dbraw/zinc/32/24/74/378322474.db2.gz JVNFZMLPQPWQSX-OLZOCXBDSA-N 1 1 322.413 -0.309 10 0 DBAEMO CC(=O)N1CSC[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000104210989 378342238 /nfs/dbraw/zinc/34/22/38/378342238.db2.gz LCBYACRUWIFZRG-ZDUSSCGKSA-N 1 1 314.455 -0.339 10 0 DBAEMO Cc1noc([C@@H]2[C@@H](C)OCCN2CC(=O)N2CC[NH+](C)CC2)n1 ZINC000329027975 378453130 /nfs/dbraw/zinc/45/31/30/378453130.db2.gz KJHUDDTTYLGUKK-RISCZKNCSA-N 1 1 323.397 -0.086 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC000329134085 378461664 /nfs/dbraw/zinc/46/16/64/378461664.db2.gz ZIYQAMRXZZAUQW-JHJVBQTASA-N 1 1 318.439 -0.133 10 0 DBAEMO C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cnc4c3ncnc4N)C2)C1 ZINC000329228754 378467795 /nfs/dbraw/zinc/46/77/95/378467795.db2.gz IWANFPWFSAENTQ-HNNXBMFYSA-N 1 1 315.381 -0.037 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@@H]1C ZINC000248571665 378438548 /nfs/dbraw/zinc/43/85/48/378438548.db2.gz CSKGHKSNCJCDEK-AVGNSLFASA-N 1 1 322.413 -0.311 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000329585061 378491625 /nfs/dbraw/zinc/49/16/25/378491625.db2.gz RAZKVXCUQJMBPJ-ZQDZILKHSA-N 1 1 312.410 -0.047 10 0 DBAEMO C[C@](O)(CNC(=O)[C@@H]1CCCCC(=O)N1)C[NH+]1CCOCC1 ZINC000333282661 378551707 /nfs/dbraw/zinc/55/17/07/378551707.db2.gz JVRAIAACMUGCDN-WFASDCNBSA-N 1 1 313.398 -0.755 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C[C@@H]1C ZINC000248654427 378573871 /nfs/dbraw/zinc/57/38/71/378573871.db2.gz VWJDUGQTEPDFIM-AVGNSLFASA-N 1 1 312.414 -0.296 10 0 DBAEMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000119278344 379608935 /nfs/dbraw/zinc/60/89/35/379608935.db2.gz YKHKSXQTFNGIMU-PWSUYJOCSA-N 1 1 306.370 -0.680 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC000172035701 379697072 /nfs/dbraw/zinc/69/70/72/379697072.db2.gz QMICKVJULZYTSM-SXBYAPGRSA-N 1 1 309.410 -0.197 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000172247251 379697143 /nfs/dbraw/zinc/69/71/43/379697143.db2.gz OAHJSGWNQQDOCL-RYUDHWBXSA-N 1 1 318.443 -0.196 10 0 DBAEMO C[C@H]1CN(Cc2nc(N)nc(N(C)C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177248016 379724537 /nfs/dbraw/zinc/72/45/37/379724537.db2.gz OMOFPHNDTRFELJ-RYUDHWBXSA-N 1 1 321.429 -0.328 10 0 DBAEMO CCS(=O)(=O)NCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177244218 379725494 /nfs/dbraw/zinc/72/54/94/379725494.db2.gz GXIIXPGQRVSITH-QWHCGFSZSA-N 1 1 305.444 -0.422 10 0 DBAEMO CCS(=O)(=O)NCCN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177244218 379725514 /nfs/dbraw/zinc/72/55/14/379725514.db2.gz GXIIXPGQRVSITH-QWHCGFSZSA-N 1 1 305.444 -0.422 10 0 DBAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000177207528 379726469 /nfs/dbraw/zinc/72/64/69/379726469.db2.gz SFSPFLYKUFKCEJ-NSHDSACASA-N 1 1 317.353 -0.427 10 0 DBAEMO C[C@H]1CN(C(=O)NCC(=O)NCC2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000183800684 379755624 /nfs/dbraw/zinc/75/56/24/379755624.db2.gz ZIZYRMOBBNWGDU-GXTWGEPZSA-N 1 1 324.425 -0.125 10 0 DBAEMO C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1N1CCOCC1 ZINC000180234412 379745315 /nfs/dbraw/zinc/74/53/15/379745315.db2.gz GXZXWAPKFKPLNJ-JSGCOSHPSA-N 1 1 322.409 -0.764 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)N1CCOCC1 ZINC000181857658 379753044 /nfs/dbraw/zinc/75/30/44/379753044.db2.gz RSXBSZIWNKNKLU-CHWSQXEVSA-N 1 1 310.398 -0.277 10 0 DBAEMO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000184881237 379758790 /nfs/dbraw/zinc/75/87/90/379758790.db2.gz LAXVVWGKVYRBDL-GFCCVEGCSA-N 1 1 324.406 -0.090 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000188049450 379768893 /nfs/dbraw/zinc/76/88/93/379768893.db2.gz HWQSMVWAQMEYFB-NSHDSACASA-N 1 1 304.416 -0.585 10 0 DBAEMO C[N@@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2OC(C(=O)[O-])=C[C@@H](O)[C@H]2O)c1 ZINC000035645568 379816033 /nfs/dbraw/zinc/81/60/33/379816033.db2.gz IBRSYETXOXCCLW-CTHBEMJXSA-O 1 1 321.353 -0.040 10 0 DBAEMO C[N@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2OC(C(=O)[O-])=C[C@@H](O)[C@H]2O)c1 ZINC000035645568 379816042 /nfs/dbraw/zinc/81/60/42/379816042.db2.gz IBRSYETXOXCCLW-CTHBEMJXSA-O 1 1 321.353 -0.040 10 0 DBAEMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802599 379873659 /nfs/dbraw/zinc/87/36/59/379873659.db2.gz LITVBVRLURFOLN-NSHDSACASA-N 1 1 306.370 -0.167 10 0 DBAEMO O[C@H](CN1CCOCC1)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105902025 379874263 /nfs/dbraw/zinc/87/42/63/379874263.db2.gz VINNECNFWSUNCL-HNNXBMFYSA-N 1 1 321.425 -0.318 10 0 DBAEMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCNC(=O)CC2)cc1 ZINC000103470658 379875458 /nfs/dbraw/zinc/87/54/58/379875458.db2.gz WGTGOFITNKYBCW-UHFFFAOYSA-N 1 1 304.350 -0.064 10 0 DBAEMO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000109835097 379877729 /nfs/dbraw/zinc/87/77/29/379877729.db2.gz GRSKTKDKJSXBCJ-UHFFFAOYSA-N 1 1 309.370 -0.064 10 0 DBAEMO CS(=O)(=O)NCCNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000061859903 379927941 /nfs/dbraw/zinc/92/79/41/379927941.db2.gz WHOADSNWQHLAAZ-UHFFFAOYSA-N 1 1 304.416 -0.585 10 0 DBAEMO C[C@H]1C[N@H+](C2CCN(C(=O)C3=NNC(=O)CC3)CC2)CCO1 ZINC000124298954 379889005 /nfs/dbraw/zinc/88/90/05/379889005.db2.gz ZBNZRDLIFNIQKD-NSHDSACASA-N 1 1 308.382 -0.036 10 0 DBAEMO CN1CC(=O)N(CCCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000195319141 379931775 /nfs/dbraw/zinc/93/17/75/379931775.db2.gz XZRWOPCSPSGZOV-GFCCVEGCSA-N 1 1 308.382 -0.033 10 0 DBAEMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245520982 379937230 /nfs/dbraw/zinc/93/72/30/379937230.db2.gz TVQFSPHTRQIWQK-KGLIPLIRSA-N 1 1 319.471 -0.032 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(=O)N1CCOCC1 ZINC000245626973 379938651 /nfs/dbraw/zinc/93/86/51/379938651.db2.gz RSXBSZIWNKNKLU-STQMWFEESA-N 1 1 310.398 -0.277 10 0 DBAEMO NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[N@H+](C3CC3)CC2)O1 ZINC000245775994 379991840 /nfs/dbraw/zinc/99/18/40/379991840.db2.gz PHCQZUCMINCXFY-OLZOCXBDSA-N 1 1 310.398 -0.101 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000246912283 380101729 /nfs/dbraw/zinc/10/17/29/380101729.db2.gz ILORIBNAQQMQED-MNOVXSKESA-N 1 1 306.370 -0.538 10 0 DBAEMO CCCNC(=O)NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247077380 380102565 /nfs/dbraw/zinc/10/25/65/380102565.db2.gz GVMFUIBJLZJOPI-QWHCGFSZSA-N 1 1 314.430 -0.001 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000246912319 380103250 /nfs/dbraw/zinc/10/32/50/380103250.db2.gz ILORIBNAQQMQED-QWRGUYRKSA-N 1 1 306.370 -0.538 10 0 DBAEMO COCC[N@@H+](C)CCCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000077793350 380126778 /nfs/dbraw/zinc/12/67/78/380126778.db2.gz YRBFUTJFXCBFIF-CQSZACIVSA-N 1 1 316.446 -0.025 10 0 DBAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000284808599 380131241 /nfs/dbraw/zinc/13/12/41/380131241.db2.gz KPUVQMITDBJWFO-INIZCTEOSA-N 1 1 317.345 -0.405 10 0 DBAEMO COc1c(C[N@H+](C)C[C@H](O)CN2CCOCC2)c(C)nn1C ZINC000093583701 380468548 /nfs/dbraw/zinc/46/85/48/380468548.db2.gz GDLZAYBJNXGKRM-ZDUSSCGKSA-N 1 1 312.414 -0.138 10 0 DBAEMO COc1c(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c(C)nn1C ZINC000093583701 380468551 /nfs/dbraw/zinc/46/85/51/380468551.db2.gz GDLZAYBJNXGKRM-ZDUSSCGKSA-N 1 1 312.414 -0.138 10 0 DBAEMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000174928744 380828483 /nfs/dbraw/zinc/82/84/83/380828483.db2.gz OXCFIJMROBTOEI-CHWSQXEVSA-N 1 1 305.382 -0.108 10 0 DBAEMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000174928744 380828488 /nfs/dbraw/zinc/82/84/88/380828488.db2.gz OXCFIJMROBTOEI-CHWSQXEVSA-N 1 1 305.382 -0.108 10 0 DBAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000174016425 296319448 /nfs/dbraw/zinc/31/94/48/296319448.db2.gz LTFPJCBLALNNCS-GJZGRUSLSA-N 1 1 311.426 -0.234 10 0 DBAEMO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cnn1C ZINC000246303090 381581414 /nfs/dbraw/zinc/58/14/14/381581414.db2.gz DFAXXMFDTUXCDL-QWRGUYRKSA-N 1 1 323.397 -0.419 10 0 DBAEMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cnn1C ZINC000246303090 381581416 /nfs/dbraw/zinc/58/14/16/381581416.db2.gz DFAXXMFDTUXCDL-QWRGUYRKSA-N 1 1 323.397 -0.419 10 0 DBAEMO CC[C@H](O)CN1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000247538724 381598324 /nfs/dbraw/zinc/59/83/24/381598324.db2.gz OYNIMMXWYXNNPM-HRCADAONSA-N 1 1 316.442 -0.069 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@@H+]1C[C@H](C)O ZINC000246467820 381585150 /nfs/dbraw/zinc/58/51/50/381585150.db2.gz PTQJBGLJJRZSQV-RYUDHWBXSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@H+]1C[C@H](C)O ZINC000246467820 381585153 /nfs/dbraw/zinc/58/51/53/381585153.db2.gz PTQJBGLJJRZSQV-RYUDHWBXSA-N 1 1 323.397 -0.338 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@@H]1C ZINC000246580369 381590884 /nfs/dbraw/zinc/59/08/84/381590884.db2.gz ZHKWIMRDIWXCEC-QWRGUYRKSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@@H]1C ZINC000246580369 381590891 /nfs/dbraw/zinc/59/08/91/381590891.db2.gz ZHKWIMRDIWXCEC-QWRGUYRKSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@@H]1C ZINC000247205858 381595980 /nfs/dbraw/zinc/59/59/80/381595980.db2.gz XMKDBYZQPYUTLP-QWRGUYRKSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@@H]1C ZINC000247205858 381595988 /nfs/dbraw/zinc/59/59/88/381595988.db2.gz XMKDBYZQPYUTLP-QWRGUYRKSA-N 1 1 309.370 -0.728 10 0 DBAEMO CC[C@H](O)CN1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000247538715 381596967 /nfs/dbraw/zinc/59/69/67/381596967.db2.gz OYNIMMXWYXNNPM-ARFHVFGLSA-N 1 1 316.442 -0.069 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@@H+]1C[C@@H](C)O ZINC000154543712 381688006 /nfs/dbraw/zinc/68/80/06/381688006.db2.gz PTQJBGLJJRZSQV-VXGBXAGGSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@H+]1C[C@@H](C)O ZINC000154543712 381688013 /nfs/dbraw/zinc/68/80/13/381688013.db2.gz PTQJBGLJJRZSQV-VXGBXAGGSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@H](O)CN1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000174083437 381910551 /nfs/dbraw/zinc/91/05/51/381910551.db2.gz OYNIMMXWYXNNPM-JYJNAYRXSA-N 1 1 316.442 -0.069 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000184861956 382103706 /nfs/dbraw/zinc/10/37/06/382103706.db2.gz VLHMQFUVYMREPR-NEPJUHHUSA-N 1 1 300.403 -0.439 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC(=O)N(C)C)CC1 ZINC000184870937 382104583 /nfs/dbraw/zinc/10/45/83/382104583.db2.gz DTKGSSFZGRDTFL-GFCCVEGCSA-N 1 1 300.403 -0.437 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000181807883 382073603 /nfs/dbraw/zinc/07/36/03/382073603.db2.gz BGSXWKNCQDIECB-OLZOCXBDSA-N 1 1 312.414 -0.295 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000181925265 382074404 /nfs/dbraw/zinc/07/44/04/382074404.db2.gz YVQMHOSTBKWNGL-OCCSQVGLSA-N 1 1 324.425 -0.152 10 0 DBAEMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000028659174 382628542 /nfs/dbraw/zinc/62/85/42/382628542.db2.gz MFNFNJHISPVIQU-NEPJUHHUSA-N 1 1 310.398 -0.737 10 0 DBAEMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000028659174 382628546 /nfs/dbraw/zinc/62/85/46/382628546.db2.gz MFNFNJHISPVIQU-NEPJUHHUSA-N 1 1 310.398 -0.737 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000171212052 382649584 /nfs/dbraw/zinc/64/95/84/382649584.db2.gz NFTIWPHDVYFTLT-ZDUSSCGKSA-N 1 1 300.403 -0.125 10 0 DBAEMO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)c1 ZINC000174805803 382695388 /nfs/dbraw/zinc/69/53/88/382695388.db2.gz XEFACEKZXFAUBK-KBPBESRZSA-N 1 1 308.382 -0.250 10 0 DBAEMO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)c1 ZINC000174805803 382695389 /nfs/dbraw/zinc/69/53/89/382695389.db2.gz XEFACEKZXFAUBK-KBPBESRZSA-N 1 1 308.382 -0.250 10 0 DBAEMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246786372 382696469 /nfs/dbraw/zinc/69/64/69/382696469.db2.gz ADBABQCBVVXFFU-PMPSAXMXSA-N 1 1 314.426 -0.051 10 0 DBAEMO Cn1cc(C[N@H+]2C[C@@H]3OC[C@@H](C(=O)N4CCOCC4)[C@@H]3C2)cn1 ZINC000248126533 257108752 /nfs/dbraw/zinc/10/87/52/257108752.db2.gz LTQAJGXZAXBYKC-ZNMIVQPWSA-N 1 1 320.393 -0.274 10 0 DBAEMO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000370788660 391968009 /nfs/dbraw/zinc/96/80/09/391968009.db2.gz SUZUQCODISMDEJ-VXGBXAGGSA-N 1 1 319.427 -0.754 10 0 DBAEMO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000370788660 391968012 /nfs/dbraw/zinc/96/80/12/391968012.db2.gz SUZUQCODISMDEJ-VXGBXAGGSA-N 1 1 319.427 -0.754 10 0 DBAEMO Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)cn1 ZINC000286346959 131232641 /nfs/dbraw/zinc/23/26/41/131232641.db2.gz XJKHAWOEZRXYRX-DOMZBBRYSA-N 1 1 321.381 -0.772 10 0 DBAEMO Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)cn1 ZINC000286346959 131232642 /nfs/dbraw/zinc/23/26/42/131232642.db2.gz XJKHAWOEZRXYRX-DOMZBBRYSA-N 1 1 321.381 -0.772 10 0 DBAEMO Cn1cc(CN2CCC[N@@H+](CCCS(N)(=O)=O)CC2)cn1 ZINC000171596148 392577270 /nfs/dbraw/zinc/57/72/70/392577270.db2.gz DXGUKRSXVQDYTJ-UHFFFAOYSA-N 1 1 315.443 -0.394 10 0 DBAEMO Cn1cc(C[N@H+]2CCCN(CCCS(N)(=O)=O)CC2)cn1 ZINC000171596148 392577277 /nfs/dbraw/zinc/57/72/77/392577277.db2.gz DXGUKRSXVQDYTJ-UHFFFAOYSA-N 1 1 315.443 -0.394 10 0 DBAEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000408112757 392813412 /nfs/dbraw/zinc/81/34/12/392813412.db2.gz NLBAKBTWGYTGEM-SECBINFHSA-N 1 1 317.349 -0.190 10 0 DBAEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000408112757 392813418 /nfs/dbraw/zinc/81/34/18/392813418.db2.gz NLBAKBTWGYTGEM-SECBINFHSA-N 1 1 317.349 -0.190 10 0 DBAEMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000408160846 392817330 /nfs/dbraw/zinc/81/73/30/392817330.db2.gz KKPLCPKJDBYEGF-WOPDTQHZSA-N 1 1 313.398 -0.677 10 0 DBAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119645488 132135233 /nfs/dbraw/zinc/13/52/33/132135233.db2.gz PXBANVKGNNYNLL-KBPBESRZSA-N 1 1 307.398 -0.027 10 0 DBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCS(=O)(=O)NC ZINC000187838143 392975545 /nfs/dbraw/zinc/97/55/45/392975545.db2.gz SEUFRGOYBJTBJC-NSHDSACASA-N 1 1 306.432 -0.339 10 0 DBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCS(=O)(=O)NC ZINC000187838115 392975729 /nfs/dbraw/zinc/97/57/29/392975729.db2.gz SEUFRGOYBJTBJC-LLVKDONJSA-N 1 1 306.432 -0.339 10 0 DBAEMO C[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1N1CCOCC1 ZINC000246353118 393593126 /nfs/dbraw/zinc/59/31/26/393593126.db2.gz GAPGBKLKLVHDEP-HUUCEWRRSA-N 1 1 311.426 -0.112 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)C1 ZINC000266868243 393598059 /nfs/dbraw/zinc/59/80/59/393598059.db2.gz CHZDJLLCVZJEAI-GWCFXTLKSA-N 1 1 321.381 -0.455 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)C1 ZINC000266868243 393598061 /nfs/dbraw/zinc/59/80/61/393598061.db2.gz CHZDJLLCVZJEAI-GWCFXTLKSA-N 1 1 321.381 -0.455 10 0 DBAEMO CCOCC[N@H+]1CCN(CCNS(C)(=O)=O)C[C@@H]1CC ZINC000107304057 286089073 /nfs/dbraw/zinc/08/90/73/286089073.db2.gz AEIGUSCYNDYROD-ZDUSSCGKSA-N 1 1 307.460 -0.032 10 0 DBAEMO CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)[N@@H+](C)C1 ZINC000329193412 286091979 /nfs/dbraw/zinc/09/19/79/286091979.db2.gz RKOCDEAUWSTWFF-XDQVBPFNSA-N 1 1 313.398 -0.854 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CS(=O)(=O)N(C)C ZINC000408187100 287226412 /nfs/dbraw/zinc/22/64/12/287226412.db2.gz ZGPONOSDFYHARC-NEPJUHHUSA-N 1 1 303.428 -0.037 10 0 DBAEMO CC[N@H+]1CCC[C@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C)C1 ZINC000329233484 412408805 /nfs/dbraw/zinc/40/88/05/412408805.db2.gz GYJGKTLUOPAVSE-VIFPVBQESA-N 1 1 306.370 0.269 10 0 DBAEMO CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1 ZINC000328824698 544453211 /nfs/dbraw/zinc/45/32/11/544453211.db2.gz PTZICQYJTXJIBO-RRFJBIMHSA-N 1 1 311.426 -0.378 10 0 DBAEMO Cn1ccnc1[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CCN1C ZINC000329916627 544494247 /nfs/dbraw/zinc/49/42/47/544494247.db2.gz QIGPFWVJFIQYHM-KBPBESRZSA-N 1 1 321.425 -0.308 10 0 DBAEMO Cn1ccnc1[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)CCN1C ZINC000329916627 544494252 /nfs/dbraw/zinc/49/42/52/544494252.db2.gz QIGPFWVJFIQYHM-KBPBESRZSA-N 1 1 321.425 -0.308 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)[N@@H+](C)C1 ZINC000329035718 544462991 /nfs/dbraw/zinc/46/29/91/544462991.db2.gz MTSVXDCTIKEDBK-MELADBBJSA-N 1 1 321.425 -0.046 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](Cn3cccn3)C2)[N@@H+](C)C1 ZINC000329048086 544465265 /nfs/dbraw/zinc/46/52/65/544465265.db2.gz VTORQCGYVCPIOX-IHRRRGAJSA-N 1 1 308.382 -0.170 10 0 DBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000329080621 544466985 /nfs/dbraw/zinc/46/69/85/544466985.db2.gz CRODRJTXPYVRBD-OLZOCXBDSA-N 1 1 317.455 -0.485 10 0 DBAEMO CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[N@H+]1C[C@H](C)O ZINC000329220285 544477083 /nfs/dbraw/zinc/47/70/83/544477083.db2.gz SXUWFQNJQOTKND-WDEREUQCSA-N 1 1 312.370 -0.318 10 0 DBAEMO CN1CCN(c2cc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)ccn2)CC1 ZINC000262371410 544658667 /nfs/dbraw/zinc/65/86/67/544658667.db2.gz WETYGFKPKGUHER-ZIAGYGMSSA-N 1 1 319.409 -0.857 10 0 DBAEMO CNC(=O)[C@@H]1CCCN1C(=O)NCC[N@@H+](C)CCCOC ZINC000159066017 544693237 /nfs/dbraw/zinc/69/32/37/544693237.db2.gz PSTXLLDYPJRWNE-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO Cn1ccnc(N2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1=O ZINC000681917594 544987291 /nfs/dbraw/zinc/98/72/91/544987291.db2.gz LYCLEWIEYBOOCS-ZDUSSCGKSA-N 1 1 319.409 -0.041 10 0 DBAEMO CN(C)c1nccc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000333865474 273825398 /nfs/dbraw/zinc/82/53/98/273825398.db2.gz ATHXGINDOXJJFF-GFCCVEGCSA-N 1 1 304.398 -0.057 10 0 DBAEMO CC(=O)NCCNC(=O)CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113444652 278113889 /nfs/dbraw/zinc/11/38/89/278113889.db2.gz QWCWDXVXLMQNCR-GXTWGEPZSA-N 1 1 324.425 -0.286 10 0 DBAEMO CCN(C)C(=O)CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000186209594 279019316 /nfs/dbraw/zinc/01/93/16/279019316.db2.gz ZSDZPPHXDIJCOP-CHWSQXEVSA-N 1 1 312.414 -0.173 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCC(=O)N(C)CC)CC1 ZINC000186207272 288107171 /nfs/dbraw/zinc/10/71/71/288107171.db2.gz NGAQNBUPRKCXDP-LBPRGKRZSA-N 1 1 300.403 -0.437 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000119829990 280025744 /nfs/dbraw/zinc/02/57/44/280025744.db2.gz KLPDLKCWCFPNMP-RYUDHWBXSA-N 1 1 320.459 -0.046 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC000329188658 280203681 /nfs/dbraw/zinc/20/36/81/280203681.db2.gz REAURHUORJKOLS-GFCCVEGCSA-N 1 1 311.382 -0.559 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN(C)S(C)(=O)=O ZINC000175024760 281188943 /nfs/dbraw/zinc/18/89/43/281188943.db2.gz JTNVRTWDIBYQOQ-NWDGAFQWSA-N 1 1 303.428 -0.037 10 0 DBAEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000173715629 297096550 /nfs/dbraw/zinc/09/65/50/297096550.db2.gz DBGLWXNHTRUGPL-GHMZBOCLSA-N 1 1 310.441 -0.471 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000173715629 297096552 /nfs/dbraw/zinc/09/65/52/297096552.db2.gz DBGLWXNHTRUGPL-GHMZBOCLSA-N 1 1 310.441 -0.471 10 0 DBAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C ZINC000117281835 519916887 /nfs/dbraw/zinc/91/68/87/519916887.db2.gz WXZIESXTWNMPFD-GFCCVEGCSA-N 1 1 308.382 -0.037 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C ZINC000117281835 519916891 /nfs/dbraw/zinc/91/68/91/519916891.db2.gz WXZIESXTWNMPFD-GFCCVEGCSA-N 1 1 308.382 -0.037 10 0 DBAEMO CCc1nnc([C@H]2CN(CC(=O)N3CC[NH+](C)CC3)CCO2)o1 ZINC000333442899 522793867 /nfs/dbraw/zinc/79/38/67/522793867.db2.gz PZZBKEQNCYFJSM-GFCCVEGCSA-N 1 1 323.397 -0.221 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CC1 ZINC000329585059 522815510 /nfs/dbraw/zinc/81/55/10/522815510.db2.gz RAZKVXCUQJMBPJ-CBBWQLFWSA-N 1 1 312.410 -0.047 10 0 DBAEMO CCc1noc(CCNC(=O)C2CC[NH+](CC(N)=O)CC2)n1 ZINC000091255955 522896334 /nfs/dbraw/zinc/89/63/34/522896334.db2.gz PLGLFVSLANZYAQ-UHFFFAOYSA-N 1 1 309.370 -0.512 10 0 DBAEMO CCn1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000130859732 523402227 /nfs/dbraw/zinc/40/22/27/523402227.db2.gz OFXICMSYYNYQNX-VXGBXAGGSA-N 1 1 323.397 -0.245 10 0 DBAEMO CCn1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000130859732 523402240 /nfs/dbraw/zinc/40/22/40/523402240.db2.gz OFXICMSYYNYQNX-VXGBXAGGSA-N 1 1 323.397 -0.245 10 0 DBAEMO CC[C@@H]1CN(CC(=O)NCCCOC)CC[N@H+]1C[C@@H](C)O ZINC000105912712 523435593 /nfs/dbraw/zinc/43/55/93/523435593.db2.gz BOYYCNKAPMEGDB-ZIAGYGMSSA-N 1 1 301.431 -0.084 10 0 DBAEMO COCCN1CCN(C(=O)NCC[N@@H+](C)CCOC)C[C@@H]1C ZINC000117490650 523593166 /nfs/dbraw/zinc/59/31/66/523593166.db2.gz WURIQBKSAKNXGH-AWEZNQCLSA-N 1 1 316.446 -0.073 10 0 DBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000344706275 523756527 /nfs/dbraw/zinc/75/65/27/523756527.db2.gz JGJQWVCUZDCMMK-RWMBFGLXSA-N 1 1 306.428 -0.260 10 0 DBAEMO CN1CCN(Cc2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)CC1=O ZINC000333185058 523912387 /nfs/dbraw/zinc/91/23/87/523912387.db2.gz NTWTYMXHYHMKSL-RYUDHWBXSA-N 1 1 321.381 -0.121 10 0 DBAEMO CN1CCN(Cc2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)CC1=O ZINC000333185058 523912394 /nfs/dbraw/zinc/91/23/94/523912394.db2.gz NTWTYMXHYHMKSL-RYUDHWBXSA-N 1 1 321.381 -0.121 10 0 DBAEMO CN1CCN(Cc2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)CC1=O ZINC000333185059 523912852 /nfs/dbraw/zinc/91/28/52/523912852.db2.gz NTWTYMXHYHMKSL-VXGBXAGGSA-N 1 1 321.381 -0.121 10 0 DBAEMO CN1CCN(Cc2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)CC1=O ZINC000333185059 523912856 /nfs/dbraw/zinc/91/28/56/523912856.db2.gz NTWTYMXHYHMKSL-VXGBXAGGSA-N 1 1 321.381 -0.121 10 0 DBAEMO CN1CCN(Cc2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)CC1=O ZINC000333185056 523913110 /nfs/dbraw/zinc/91/31/10/523913110.db2.gz NTWTYMXHYHMKSL-NWDGAFQWSA-N 1 1 321.381 -0.121 10 0 DBAEMO CN1CCN(Cc2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)CC1=O ZINC000333185056 523913116 /nfs/dbraw/zinc/91/31/16/523913116.db2.gz NTWTYMXHYHMKSL-NWDGAFQWSA-N 1 1 321.381 -0.121 10 0 DBAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)C1 ZINC000266868250 523933999 /nfs/dbraw/zinc/93/39/99/523933999.db2.gz CHZDJLLCVZJEAI-ZWNOBZJWSA-N 1 1 321.381 -0.455 10 0 DBAEMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)C1 ZINC000266868250 523934002 /nfs/dbraw/zinc/93/40/02/523934002.db2.gz CHZDJLLCVZJEAI-ZWNOBZJWSA-N 1 1 321.381 -0.455 10 0 DBAEMO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000346593801 524415189 /nfs/dbraw/zinc/41/51/89/524415189.db2.gz URWSUHQDXCBQII-INIZCTEOSA-N 1 1 305.378 -0.077 10 0 DBAEMO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000346593801 524415199 /nfs/dbraw/zinc/41/51/99/524415199.db2.gz URWSUHQDXCBQII-INIZCTEOSA-N 1 1 305.378 -0.077 10 0 DBAEMO C[C@H]1CN(C(=O)NCC(=O)NCC2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000183800656 524493110 /nfs/dbraw/zinc/49/31/10/524493110.db2.gz ZIZYRMOBBNWGDU-JSGCOSHPSA-N 1 1 324.425 -0.125 10 0 DBAEMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247165754 525953356 /nfs/dbraw/zinc/95/33/56/525953356.db2.gz MQKZIBBAQWSCHU-OCCSQVGLSA-N 1 1 308.426 -0.121 10 0 DBAEMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000332797195 526073038 /nfs/dbraw/zinc/07/30/38/526073038.db2.gz QHBOJTAQPLOQSX-UEKVPHQBSA-N 1 1 324.381 -0.704 10 0 DBAEMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000332797195 526073044 /nfs/dbraw/zinc/07/30/44/526073044.db2.gz QHBOJTAQPLOQSX-UEKVPHQBSA-N 1 1 324.381 -0.704 10 0 DBAEMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)N1CCNC(=O)C1 ZINC000337285794 526752124 /nfs/dbraw/zinc/75/21/24/526752124.db2.gz KGJXVIMSUDXDKG-MJBXVCDLSA-N 1 1 309.410 -0.040 10 0 DBAEMO OCC[N@H+]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000131553936 527554118 /nfs/dbraw/zinc/55/41/18/527554118.db2.gz DMFVYEWGRMLRBR-AWEZNQCLSA-N 1 1 321.425 -0.058 10 0 DBAEMO C[C@H]1CN(C(=O)NCc2cnnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000332894518 665265728 /nfs/dbraw/zinc/26/57/28/665265728.db2.gz WCWZDBKSVHZQOJ-AAEUAGOBSA-N 1 1 308.386 -0.323 10 0 DBAEMO Cc1nnc(COC2CN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)C2)o1 ZINC000911410202 674720695 /nfs/dbraw/zinc/72/06/95/674720695.db2.gz WCMLVDGDFVDPCQ-HZMBPMFUSA-N 1 1 310.354 -0.439 10 0 DBAEMO Cc1nnc(COC2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C2)o1 ZINC000911410204 674720858 /nfs/dbraw/zinc/72/08/58/674720858.db2.gz WCMLVDGDFVDPCQ-QMTHXVAHSA-N 1 1 310.354 -0.439 10 0 DBAEMO NC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000261934774 671085973 /nfs/dbraw/zinc/08/59/73/671085973.db2.gz KEAUAILJKOUKGA-LBPRGKRZSA-N 1 1 304.350 -0.368 10 0 DBAEMO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000897722281 672508482 /nfs/dbraw/zinc/50/84/82/672508482.db2.gz WNALMBMSWGOXAR-VXGBXAGGSA-N 1 1 307.354 -0.575 10 0 DBAEMO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000897722279 672508615 /nfs/dbraw/zinc/50/86/15/672508615.db2.gz WNALMBMSWGOXAR-NWDGAFQWSA-N 1 1 307.354 -0.575 10 0 DBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)O1 ZINC000898230317 672546377 /nfs/dbraw/zinc/54/63/77/672546377.db2.gz CPQFXIXCXDUAAT-CKYFFXLPSA-N 1 1 322.365 -0.077 10 0 DBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)O1 ZINC000898230317 672546382 /nfs/dbraw/zinc/54/63/82/672546382.db2.gz CPQFXIXCXDUAAT-CKYFFXLPSA-N 1 1 322.365 -0.077 10 0 DBAEMO CN(C)S(=O)(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000179677231 282158952 /nfs/dbraw/zinc/15/89/52/282158952.db2.gz SFBPNYUNEAKHET-CYBMUJFWSA-N 1 1 304.460 -0.105 10 0 DBAEMO O=C(CCCc1cn[nH]c1)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072153944 191057973 /nfs/dbraw/zinc/05/79/73/191057973.db2.gz PVLXHJPACHNIJH-CYBMUJFWSA-N 1 1 305.382 -0.189 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000252695612 291011598 /nfs/dbraw/zinc/01/15/98/291011598.db2.gz KNDHAHABSNRGNA-NEPJUHHUSA-N 1 1 319.427 -0.105 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000103287230 138094648 /nfs/dbraw/zinc/09/46/48/138094648.db2.gz OBZWEBKSAAIAEA-ZDUSSCGKSA-N 1 1 310.398 -0.593 10 0 DBAEMO Cn1cnc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000408027747 138203498 /nfs/dbraw/zinc/20/34/98/138203498.db2.gz MHPDZIFXUNFIAF-WDEREUQCSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cn1cnc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000408027747 138203499 /nfs/dbraw/zinc/20/34/99/138203499.db2.gz MHPDZIFXUNFIAF-WDEREUQCSA-N 1 1 300.384 -0.486 10 0 DBAEMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)N2CCOCC2)[N@@H+](C)C1 ZINC000408029988 138203970 /nfs/dbraw/zinc/20/39/70/138203970.db2.gz ZJZIVLLPCXNCQY-RYUDHWBXSA-N 1 1 307.416 -0.786 10 0 DBAEMO Cc1nnc([C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)[nH]1 ZINC000408033574 138204360 /nfs/dbraw/zinc/20/43/60/138204360.db2.gz NWUOBJDBEJBVKX-OLZOCXBDSA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc([C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CCO2)n[nH]1 ZINC000408033574 138204361 /nfs/dbraw/zinc/20/43/61/138204361.db2.gz NWUOBJDBEJBVKX-OLZOCXBDSA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc([C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)n[nH]1 ZINC000408033574 138204362 /nfs/dbraw/zinc/20/43/62/138204362.db2.gz NWUOBJDBEJBVKX-OLZOCXBDSA-N 1 1 320.397 -0.597 10 0 DBAEMO Cn1cc(C[C@H](O)C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000408043348 138204542 /nfs/dbraw/zinc/20/45/42/138204542.db2.gz WLAFIGZHYXWCNY-IHRRRGAJSA-N 1 1 308.382 -0.745 10 0 DBAEMO Cn1cc(C[C@H](O)C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000408043354 138204654 /nfs/dbraw/zinc/20/46/54/138204654.db2.gz WLAFIGZHYXWCNY-RDBSUJKOSA-N 1 1 308.382 -0.745 10 0 DBAEMO Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2C[N@H+]3CCN2CCC3)n1 ZINC000408042873 138204876 /nfs/dbraw/zinc/20/48/76/138204876.db2.gz UOBDAFHMXVVKMM-STQMWFEESA-N 1 1 321.381 -0.332 10 0 DBAEMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000408113332 138207831 /nfs/dbraw/zinc/20/78/31/138207831.db2.gz RHNLPMHHNKQJSH-LLVKDONJSA-N 1 1 301.350 -0.046 10 0 DBAEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000408113332 138207832 /nfs/dbraw/zinc/20/78/32/138207832.db2.gz RHNLPMHHNKQJSH-LLVKDONJSA-N 1 1 301.350 -0.046 10 0 DBAEMO CN1CCN(C)[C@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000408181068 138209727 /nfs/dbraw/zinc/20/97/27/138209727.db2.gz AGBLEBBGIDSQJB-KGLIPLIRSA-N 1 1 313.446 -0.796 10 0 DBAEMO COCCC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408319943 138214841 /nfs/dbraw/zinc/21/48/41/138214841.db2.gz NHJUXTRAQNSYCV-AWEZNQCLSA-N 1 1 324.425 -0.916 10 0 DBAEMO NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCCC1=O ZINC000112411018 283287469 /nfs/dbraw/zinc/28/74/69/283287469.db2.gz OWEIZXPNJFSLAC-AWEZNQCLSA-N 1 1 305.378 -0.043 10 0 DBAEMO NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCCC1=O ZINC000112411018 283287470 /nfs/dbraw/zinc/28/74/70/283287470.db2.gz OWEIZXPNJFSLAC-AWEZNQCLSA-N 1 1 305.378 -0.043 10 0 DBAEMO C[C@H]1Oc2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2NC1=O ZINC000032918148 291247070 /nfs/dbraw/zinc/24/70/70/291247070.db2.gz MYJBUXPFFJLDJN-SECBINFHSA-N 1 1 311.363 0.000 10 0 DBAEMO NC(=O)C[NH+]1CCC(C(=O)NC[C@@H](O)c2ccc(O)cc2)CC1 ZINC000091350693 193045162 /nfs/dbraw/zinc/04/51/62/193045162.db2.gz BETYPHKOSWUGTE-CQSZACIVSA-N 1 1 321.377 -0.261 10 0 DBAEMO NC(=O)C[NH+]1CCC(C(=O)N[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000091468339 193060491 /nfs/dbraw/zinc/06/04/91/193060491.db2.gz UYNFDKAZNSRHKT-LBPRGKRZSA-N 1 1 305.382 -0.420 10 0 DBAEMO C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643585928 374287181 /nfs/dbraw/zinc/28/71/81/374287181.db2.gz DFJAAEMRXIAZDD-FMKPAKJESA-N 1 1 308.378 -0.397 10 0 DBAEMO C[N@H+](CC(=O)NCc1ccccc1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643585928 374287187 /nfs/dbraw/zinc/28/71/87/374287187.db2.gz DFJAAEMRXIAZDD-FMKPAKJESA-N 1 1 308.378 -0.397 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000089644200 374636559 /nfs/dbraw/zinc/63/65/59/374636559.db2.gz KNDHAHABSNRGNA-VXGBXAGGSA-N 1 1 319.427 -0.105 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000247289312 374610292 /nfs/dbraw/zinc/61/02/92/374610292.db2.gz DWWMKCZKNJBAMI-OLZOCXBDSA-N 1 1 312.414 -0.031 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000247289312 374610304 /nfs/dbraw/zinc/61/03/04/374610304.db2.gz DWWMKCZKNJBAMI-OLZOCXBDSA-N 1 1 312.414 -0.031 10 0 DBAEMO CN(C)S(=O)(=O)CCCN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408039122 374690365 /nfs/dbraw/zinc/69/03/65/374690365.db2.gz SFNXVAKPVPVILU-STQMWFEESA-N 1 1 305.444 -0.327 10 0 DBAEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092708597 374806930 /nfs/dbraw/zinc/80/69/30/374806930.db2.gz PNGCGPLBJOVNJC-ZDUSSCGKSA-N 1 1 322.409 -0.035 10 0 DBAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000092708596 374807238 /nfs/dbraw/zinc/80/72/38/374807238.db2.gz PNGCGPLBJOVNJC-CYBMUJFWSA-N 1 1 322.409 -0.035 10 0 DBAEMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCO)CC2)[C@H](C)CO1 ZINC000408211767 374789901 /nfs/dbraw/zinc/78/99/01/374789901.db2.gz QXJZUKMDICGTLS-CHWSQXEVSA-N 1 1 321.443 -0.660 10 0 DBAEMO Cc1ccc(N2CCC[N@H+](CCNS(C)(=O)=O)CC2)nn1 ZINC000107303884 374918928 /nfs/dbraw/zinc/91/89/28/374918928.db2.gz XHJFIVKZSKREMJ-UHFFFAOYSA-N 1 1 313.427 -0.154 10 0 DBAEMO Cc1ccc(N2CCC[N@@H+](CCNS(C)(=O)=O)CC2)nn1 ZINC000107303884 374918932 /nfs/dbraw/zinc/91/89/32/374918932.db2.gz XHJFIVKZSKREMJ-UHFFFAOYSA-N 1 1 313.427 -0.154 10 0 DBAEMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869000 374911322 /nfs/dbraw/zinc/91/13/22/374911322.db2.gz PRHOYXLBKVXAKD-NSHDSACASA-N 1 1 308.386 -0.489 10 0 DBAEMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869000 374911327 /nfs/dbraw/zinc/91/13/27/374911327.db2.gz PRHOYXLBKVXAKD-NSHDSACASA-N 1 1 308.386 -0.489 10 0 DBAEMO C[C@@H](C(=O)NC(N)=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105869000 374911335 /nfs/dbraw/zinc/91/13/35/374911335.db2.gz PRHOYXLBKVXAKD-NSHDSACASA-N 1 1 308.386 -0.489 10 0 DBAEMO C[C@@H](C(=O)NC(N)=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105869000 374911337 /nfs/dbraw/zinc/91/13/37/374911337.db2.gz PRHOYXLBKVXAKD-NSHDSACASA-N 1 1 308.386 -0.489 10 0 DBAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cn1 ZINC000105828409 374911423 /nfs/dbraw/zinc/91/14/23/374911423.db2.gz RYXDKYSVMLGFJE-ZDUSSCGKSA-N 1 1 305.382 -0.410 10 0 DBAEMO Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cn1 ZINC000105828409 374911430 /nfs/dbraw/zinc/91/14/30/374911430.db2.gz RYXDKYSVMLGFJE-ZDUSSCGKSA-N 1 1 305.382 -0.410 10 0 DBAEMO Cn1cc(CN2CCC[N@H+](CC(=O)N3CCOCC3)CC2)cn1 ZINC000105869115 374912059 /nfs/dbraw/zinc/91/20/59/374912059.db2.gz MRBGVRYOLOBKIE-UHFFFAOYSA-N 1 1 321.425 -0.213 10 0 DBAEMO Cn1cc(CN2CCC[N@@H+](CC(=O)N3CCOCC3)CC2)cn1 ZINC000105869115 374912067 /nfs/dbraw/zinc/91/20/67/374912067.db2.gz MRBGVRYOLOBKIE-UHFFFAOYSA-N 1 1 321.425 -0.213 10 0 DBAEMO Cn1cc(C[N@@H+]2CCCN(CC(=O)N3CCOCC3)CC2)cn1 ZINC000105869115 374912073 /nfs/dbraw/zinc/91/20/73/374912073.db2.gz MRBGVRYOLOBKIE-UHFFFAOYSA-N 1 1 321.425 -0.213 10 0 DBAEMO Cn1cc(C[N@H+]2CCCN(CC(=O)N3CCOCC3)CC2)cn1 ZINC000105869115 374912077 /nfs/dbraw/zinc/91/20/77/374912077.db2.gz MRBGVRYOLOBKIE-UHFFFAOYSA-N 1 1 321.425 -0.213 10 0 DBAEMO Cc1conc1NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000119133391 375017139 /nfs/dbraw/zinc/01/71/39/375017139.db2.gz UQZNMUFOJGELBR-GHMZBOCLSA-N 1 1 310.354 -0.165 10 0 DBAEMO Cc1conc1NC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000119133391 375017144 /nfs/dbraw/zinc/01/71/44/375017144.db2.gz UQZNMUFOJGELBR-GHMZBOCLSA-N 1 1 310.354 -0.165 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1N1CCOCC1 ZINC000246100379 375093483 /nfs/dbraw/zinc/09/34/83/375093483.db2.gz IIQSOBVHINAZNY-QLFBSQMISA-N 1 1 311.426 -0.378 10 0 DBAEMO O=C(CN1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1)N1CCCCC1 ZINC000238130388 375054108 /nfs/dbraw/zinc/05/41/08/375054108.db2.gz HMINAQNVBUEAOF-CQSZACIVSA-N 1 1 324.425 -0.869 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCNC(=O)C(C)C)CC1 ZINC000184722376 375237265 /nfs/dbraw/zinc/23/72/65/375237265.db2.gz FAJOKSGXNJRRSB-CYBMUJFWSA-N 1 1 314.430 -0.143 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C ZINC000152476307 375328376 /nfs/dbraw/zinc/32/83/76/375328376.db2.gz XJKZQHYCMAFEEX-CYBMUJFWSA-N 1 1 320.393 -0.010 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C ZINC000152476307 375328381 /nfs/dbraw/zinc/32/83/81/375328381.db2.gz XJKZQHYCMAFEEX-CYBMUJFWSA-N 1 1 320.393 -0.010 10 0 DBAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCC(=O)N(C)C ZINC000154288365 375352673 /nfs/dbraw/zinc/35/26/73/375352673.db2.gz DTPALMAELPOEIO-LBPRGKRZSA-N 1 1 321.381 -0.613 10 0 DBAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000332723432 375406386 /nfs/dbraw/zinc/40/63/86/375406386.db2.gz PDRVLNZNQWKGAH-QWHCGFSZSA-N 1 1 323.441 -0.267 10 0 DBAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332759557 375407054 /nfs/dbraw/zinc/40/70/54/375407054.db2.gz XAISCFKJCHHENW-KGYLQXTDSA-N 1 1 310.398 -0.232 10 0 DBAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332759557 375407064 /nfs/dbraw/zinc/40/70/64/375407064.db2.gz XAISCFKJCHHENW-KGYLQXTDSA-N 1 1 310.398 -0.232 10 0 DBAEMO CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCNC1=O)[NH+]1CCOCC1 ZINC000332755700 375407833 /nfs/dbraw/zinc/40/78/33/375407833.db2.gz OKVRWRBLZAEXCF-CHWSQXEVSA-N 1 1 312.414 -0.127 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN1CCNC(=O)C1 ZINC000332835701 375414923 /nfs/dbraw/zinc/41/49/23/375414923.db2.gz KICCSWSJOUVVDE-KBPBESRZSA-N 1 1 323.441 -0.314 10 0 DBAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCN2CCNC(=O)C2)C1 ZINC000332838179 375416570 /nfs/dbraw/zinc/41/65/70/375416570.db2.gz NFXKHCPKMCKBEX-QWHCGFSZSA-N 1 1 311.430 -0.554 10 0 DBAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000103285597 375430196 /nfs/dbraw/zinc/43/01/96/375430196.db2.gz XGUAIHHMQDVALI-OLZOCXBDSA-N 1 1 324.425 -0.299 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2nccn(C)c2=O)C[C@H]1C ZINC000183874839 375546015 /nfs/dbraw/zinc/54/60/15/375546015.db2.gz NKOCPXOFAHMNAZ-GHMZBOCLSA-N 1 1 309.370 -0.301 10 0 DBAEMO CC[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C[C@@H](C)O ZINC000179508785 375521244 /nfs/dbraw/zinc/52/12/44/375521244.db2.gz NBPIGKSADPNTLU-TZMCWYRMSA-N 1 1 324.425 -0.639 10 0 DBAEMO CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000262600682 377036058 /nfs/dbraw/zinc/03/60/58/377036058.db2.gz CEVSTGWVKCTQER-CHWSQXEVSA-N 1 1 304.387 -0.764 10 0 DBAEMO O=C([C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1)N1CCOCC1 ZINC000262636954 377071172 /nfs/dbraw/zinc/07/11/72/377071172.db2.gz XKNFDBYDEBLVOX-CHWSQXEVSA-N 1 1 311.382 -0.928 10 0 DBAEMO Cn1c2[nH]c(CN3CC[N@H+]4CCC[C@H]4C3)nc2c(=O)n(C)c1=O ZINC000245622107 377105630 /nfs/dbraw/zinc/10/56/30/377105630.db2.gz OAOSXFHKSZALOL-JTQLQIEISA-N 1 1 318.381 -0.760 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000052593481 377231313 /nfs/dbraw/zinc/23/13/13/377231313.db2.gz UUTJEOCPNVHMAV-GFCCVEGCSA-N 1 1 318.443 -0.243 10 0 DBAEMO CN1CCO[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638276892 377868836 /nfs/dbraw/zinc/86/88/36/377868836.db2.gz QNAUDPFQVFZHBC-HOTGVXAUSA-N 1 1 320.437 -0.108 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@@H]1C ZINC000328785720 378186440 /nfs/dbraw/zinc/18/64/40/378186440.db2.gz OIKLYTAFFINAOK-SDDRHHMPSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@@H]1C ZINC000328785720 378186441 /nfs/dbraw/zinc/18/64/41/378186441.db2.gz OIKLYTAFFINAOK-SDDRHHMPSA-N 1 1 307.398 -0.177 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000328769400 378183943 /nfs/dbraw/zinc/18/39/43/378183943.db2.gz IKNKFVQVGFODNH-NWDGAFQWSA-N 1 1 307.398 -0.175 10 0 DBAEMO O=C1CNC(=O)N1CCC[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857712 378303555 /nfs/dbraw/zinc/30/35/55/378303555.db2.gz WFVQTIJJFXWFIR-UHFFFAOYSA-N 1 1 307.354 -0.266 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000248594472 378519694 /nfs/dbraw/zinc/51/96/94/378519694.db2.gz HVUCFCNQGBHRRK-AGIUHOORSA-N 1 1 324.425 -0.154 10 0 DBAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000107281309 378628700 /nfs/dbraw/zinc/62/87/00/378628700.db2.gz UWQMROQHUVLTTD-KGLIPLIRSA-N 1 1 308.426 -0.249 10 0 DBAEMO Cc1noc([C@@H](C)N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)n1 ZINC000168103154 378592458 /nfs/dbraw/zinc/59/24/58/378592458.db2.gz AIHAPINAXZJJEG-ZYHUDNBSSA-N 1 1 309.370 -0.428 10 0 DBAEMO CC[C@@H]1CN(C(=O)Cn2nc(C)oc2=O)CC[N@H+]1CCOC ZINC000639778317 378689873 /nfs/dbraw/zinc/68/98/73/378689873.db2.gz LOJGJTHBCKRRNC-GFCCVEGCSA-N 1 1 312.370 -0.286 10 0 DBAEMO CCc1nc(CN2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)no1 ZINC000168456169 379214058 /nfs/dbraw/zinc/21/40/58/379214058.db2.gz JBIUXMOKMKJUSB-NSHDSACASA-N 1 1 309.370 -0.735 10 0 DBAEMO CC[C@H]1CN(C(=O)NCC(=O)N(C)C)CC[N@H+]1CCOC ZINC000117471299 379561928 /nfs/dbraw/zinc/56/19/28/379561928.db2.gz SVPPMRJDBNFWFD-LBPRGKRZSA-N 1 1 300.403 -0.173 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NCCCNC(C)=O)C[C@H]1C ZINC000117479291 379562807 /nfs/dbraw/zinc/56/28/07/379562807.db2.gz HXKLRPXWGADFQD-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NCCCNC(C)=O)C[C@H]1C ZINC000117479291 379562819 /nfs/dbraw/zinc/56/28/19/379562819.db2.gz HXKLRPXWGADFQD-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000170736451 379691882 /nfs/dbraw/zinc/69/18/82/379691882.db2.gz LILCKDSIHFJQGT-STQMWFEESA-N 1 1 324.425 -0.312 10 0 DBAEMO Cc1cnn(C[C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)CCO2)c1 ZINC000171609029 379695328 /nfs/dbraw/zinc/69/53/28/379695328.db2.gz ZOCGEIXBRQZKNV-LBPRGKRZSA-N 1 1 309.370 -0.133 10 0 DBAEMO CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC000174874474 379713526 /nfs/dbraw/zinc/71/35/26/379713526.db2.gz SHVVMYSCBDOLIS-NEPJUHHUSA-N 1 1 307.398 -0.008 10 0 DBAEMO CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC000174874474 379713534 /nfs/dbraw/zinc/71/35/34/379713534.db2.gz SHVVMYSCBDOLIS-NEPJUHHUSA-N 1 1 307.398 -0.008 10 0 DBAEMO C[C@@H]1CN(C(=O)NCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175686928 379713621 /nfs/dbraw/zinc/71/36/21/379713621.db2.gz LZWZWULYRZFLLR-OLZOCXBDSA-N 1 1 312.414 -0.173 10 0 DBAEMO C[NH+]1CCN(c2ncc(CN3CCC[C@H]3C(N)=O)cn2)CC1 ZINC000179581645 379742139 /nfs/dbraw/zinc/74/21/39/379742139.db2.gz XVORYENTINSHLT-ZDUSSCGKSA-N 1 1 304.398 -0.322 10 0 DBAEMO C[C@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)C[C@@H]1N1CCOCC1 ZINC000180536508 379745294 /nfs/dbraw/zinc/74/52/94/379745294.db2.gz KQRYHGKSUYWIEE-GJZGRUSLSA-N 1 1 310.442 -0.587 10 0 DBAEMO CCN1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)CC1=O ZINC000181387773 379749379 /nfs/dbraw/zinc/74/93/79/379749379.db2.gz SLDAPWYVEAGGCW-WCQYABFASA-N 1 1 305.382 -0.239 10 0 DBAEMO CCOCC[N@@H+]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC000181992123 379752488 /nfs/dbraw/zinc/75/24/88/379752488.db2.gz TXWPAAZBURQDMT-GFCCVEGCSA-N 1 1 311.386 -0.849 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC000181992123 379752497 /nfs/dbraw/zinc/75/24/97/379752497.db2.gz TXWPAAZBURQDMT-GFCCVEGCSA-N 1 1 311.386 -0.849 10 0 DBAEMO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000184881258 379758264 /nfs/dbraw/zinc/75/82/64/379758264.db2.gz LAXVVWGKVYRBDL-LBPRGKRZSA-N 1 1 324.406 -0.090 10 0 DBAEMO COCC[N@H+](C)CCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000185924070 379761885 /nfs/dbraw/zinc/76/18/85/379761885.db2.gz UUQWWSCKXGTBKX-UONOGXRCSA-N 1 1 316.446 -0.339 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000185924070 379761890 /nfs/dbraw/zinc/76/18/90/379761890.db2.gz UUQWWSCKXGTBKX-UONOGXRCSA-N 1 1 316.446 -0.339 10 0 DBAEMO CCC[N@@H+](CC)CCNC(=O)N1CC(NC(=O)COC)C1 ZINC000185581693 379762382 /nfs/dbraw/zinc/76/23/82/379762382.db2.gz JKIRITBFWRWFNT-UHFFFAOYSA-N 1 1 300.403 -0.125 10 0 DBAEMO Cc1cc(N2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)n[nH]1 ZINC000187270523 379767293 /nfs/dbraw/zinc/76/72/93/379767293.db2.gz NNDNWNZIJCRBIB-CYBMUJFWSA-N 1 1 307.398 -0.177 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC(=O)N(C)C ZINC000190337987 379786966 /nfs/dbraw/zinc/78/69/66/379786966.db2.gz MFTQLUWDQDVDIQ-VXGBXAGGSA-N 1 1 310.398 -0.724 10 0 DBAEMO CN1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC1=O ZINC000191110493 379788238 /nfs/dbraw/zinc/78/82/38/379788238.db2.gz MRDAXRITAQRTKU-UHFFFAOYSA-N 1 1 324.303 -0.071 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NCC(=O)N1CCCC1 ZINC000113269244 379879760 /nfs/dbraw/zinc/87/97/60/379879760.db2.gz WTFXQCGOLKGSGR-ZIAGYGMSSA-N 1 1 308.426 -0.107 10 0 DBAEMO O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1)N1CCCC1 ZINC000195090970 379928891 /nfs/dbraw/zinc/92/88/91/379928891.db2.gz PXQHCCQPCHXPEF-CYBMUJFWSA-N 1 1 322.409 -0.721 10 0 DBAEMO O=C(C[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1)N1CCCC1 ZINC000195090970 379928899 /nfs/dbraw/zinc/92/88/99/379928899.db2.gz PXQHCCQPCHXPEF-CYBMUJFWSA-N 1 1 322.409 -0.721 10 0 DBAEMO COCCn1nc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1=O ZINC000195321381 379931794 /nfs/dbraw/zinc/93/17/94/379931794.db2.gz NKDMSQJWASPDJG-GFCCVEGCSA-N 1 1 306.366 -0.190 10 0 DBAEMO COCCCS(=O)(=O)NCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000245478731 379936957 /nfs/dbraw/zinc/93/69/57/379936957.db2.gz VUDJXEUOGDIATA-ZDUSSCGKSA-N 1 1 305.444 -0.278 10 0 DBAEMO CCn1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000246445909 380091607 /nfs/dbraw/zinc/09/16/07/380091607.db2.gz OFXICMSYYNYQNX-RYUDHWBXSA-N 1 1 323.397 -0.245 10 0 DBAEMO CCn1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000246445909 380091612 /nfs/dbraw/zinc/09/16/12/380091612.db2.gz OFXICMSYYNYQNX-RYUDHWBXSA-N 1 1 323.397 -0.245 10 0 DBAEMO O=C([C@H]1CCCO1)N1CCCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000075033537 380097444 /nfs/dbraw/zinc/09/74/44/380097444.db2.gz VTMPAJMVGTWYFW-VXGBXAGGSA-N 1 1 313.423 -0.111 10 0 DBAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN([C@H]3CCN(C)C3=O)CC2)C1 ZINC000246791195 380099337 /nfs/dbraw/zinc/09/93/37/380099337.db2.gz AKHOOEFKCQDPBU-HOTGVXAUSA-N 1 1 324.469 -0.056 10 0 DBAEMO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000246813990 380099861 /nfs/dbraw/zinc/09/98/61/380099861.db2.gz BVMKLMMPNNNVLA-RYUDHWBXSA-N 1 1 324.468 -0.081 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000246813990 380099870 /nfs/dbraw/zinc/09/98/70/380099870.db2.gz BVMKLMMPNNNVLA-RYUDHWBXSA-N 1 1 324.468 -0.081 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@@H]1C ZINC000246936084 380101495 /nfs/dbraw/zinc/10/14/95/380101495.db2.gz ZPOMGISYMBRTGP-STQMWFEESA-N 1 1 320.393 -0.275 10 0 DBAEMO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)CC2)nn1 ZINC000247374431 380106296 /nfs/dbraw/zinc/10/62/96/380106296.db2.gz VCHFIPFEXYQTFA-LLVKDONJSA-N 1 1 306.370 -0.119 10 0 DBAEMO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)NC(N)=O)CC2)nn1 ZINC000247374431 380106300 /nfs/dbraw/zinc/10/63/00/380106300.db2.gz VCHFIPFEXYQTFA-LLVKDONJSA-N 1 1 306.370 -0.119 10 0 DBAEMO CN(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 ZINC000248007775 380108204 /nfs/dbraw/zinc/10/82/04/380108204.db2.gz KXZADDDNJJCJDJ-AWEZNQCLSA-N 1 1 302.378 -0.235 10 0 DBAEMO CN(CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 ZINC000248007775 380108208 /nfs/dbraw/zinc/10/82/08/380108208.db2.gz KXZADDDNJJCJDJ-AWEZNQCLSA-N 1 1 302.378 -0.235 10 0 DBAEMO CC(=O)N1CCN(C(=O)CN2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000248327375 380108630 /nfs/dbraw/zinc/10/86/30/380108630.db2.gz CIZUBGJMMRFWGD-HNNXBMFYSA-N 1 1 308.426 -0.153 10 0 DBAEMO C[NH2+][C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cnn(C)c1 ZINC000262607869 380195880 /nfs/dbraw/zinc/19/58/80/380195880.db2.gz YLFSBKCUVNGKMW-LHMODEAPSA-N 1 1 305.382 -0.194 10 0 DBAEMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](OC)C1 ZINC000629285570 380622612 /nfs/dbraw/zinc/62/26/12/380622612.db2.gz VFRLDWQLOHQTBM-TUAOUCFPSA-N 1 1 319.427 -0.706 10 0 DBAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000332989361 380674363 /nfs/dbraw/zinc/67/43/63/380674363.db2.gz CFGPLWMXTDZUGL-UONOGXRCSA-N 1 1 315.414 -0.254 10 0 DBAEMO C[C@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCN1Cc1ccccc1 ZINC000396360378 380979792 /nfs/dbraw/zinc/97/97/92/380979792.db2.gz IYCGHJMYQWRJRY-JSGCOSHPSA-N 1 1 304.394 -0.078 10 0 DBAEMO C[C@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CCN1Cc1ccccc1 ZINC000396360376 380980165 /nfs/dbraw/zinc/98/01/65/380980165.db2.gz IYCGHJMYQWRJRY-GXTWGEPZSA-N 1 1 304.394 -0.078 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)CNC(=O)NC)C[C@@H]1CC ZINC000134348834 381478014 /nfs/dbraw/zinc/47/80/14/381478014.db2.gz CYJBGQYYFHNLGU-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000251601949 381609917 /nfs/dbraw/zinc/60/99/17/381609917.db2.gz FUXRFQSSGBEKQF-GHMZBOCLSA-N 1 1 306.432 -0.437 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@@H+]1CCOC ZINC000153206660 381630947 /nfs/dbraw/zinc/63/09/47/381630947.db2.gz CCJBLWIMRCHLKB-GFCCVEGCSA-N 1 1 323.397 -0.072 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@H+]1CCOC ZINC000153206660 381630953 /nfs/dbraw/zinc/63/09/53/381630953.db2.gz CCJBLWIMRCHLKB-GFCCVEGCSA-N 1 1 323.397 -0.072 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC(=O)NC(C)C)CC1 ZINC000184799133 382102471 /nfs/dbraw/zinc/10/24/71/382102471.db2.gz QBTQEHLMWLYSEC-CYBMUJFWSA-N 1 1 314.430 -0.001 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCC(=O)NC(C)C)CC1 ZINC000184799114 382102601 /nfs/dbraw/zinc/10/26/01/382102601.db2.gz QBTQEHLMWLYSEC-ZDUSSCGKSA-N 1 1 314.430 -0.001 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000184861976 382104422 /nfs/dbraw/zinc/10/44/22/382104422.db2.gz VLHMQFUVYMREPR-VXGBXAGGSA-N 1 1 300.403 -0.439 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000181925308 382074066 /nfs/dbraw/zinc/07/40/66/382074066.db2.gz YVQMHOSTBKWNGL-JSGCOSHPSA-N 1 1 324.425 -0.152 10 0 DBAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000105818451 382349123 /nfs/dbraw/zinc/34/91/23/382349123.db2.gz CVTZTIXINIBAIT-CYBMUJFWSA-N 1 1 322.413 -0.328 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000105898475 382349958 /nfs/dbraw/zinc/34/99/58/382349958.db2.gz VZQFRHASENABPQ-AWEZNQCLSA-N 1 1 320.397 -0.394 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000105898475 382349964 /nfs/dbraw/zinc/34/99/64/382349964.db2.gz VZQFRHASENABPQ-AWEZNQCLSA-N 1 1 320.397 -0.394 10 0 DBAEMO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641558 382658137 /nfs/dbraw/zinc/65/81/37/382658137.db2.gz NWUOIHKVVMWAGN-FRRDWIJNSA-N 1 1 315.439 -0.542 10 0 DBAEMO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171641558 382658139 /nfs/dbraw/zinc/65/81/39/382658139.db2.gz NWUOIHKVVMWAGN-FRRDWIJNSA-N 1 1 315.439 -0.542 10 0 DBAEMO Cn1cc([C@H]2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)cn1 ZINC000172058124 382666132 /nfs/dbraw/zinc/66/61/32/382666132.db2.gz DAFGERAQXPAJBL-NSHDSACASA-N 1 1 303.366 -0.193 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245463668 382684739 /nfs/dbraw/zinc/68/47/39/382684739.db2.gz OXCFIJMROBTOEI-STQMWFEESA-N 1 1 305.382 -0.108 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245463668 382684740 /nfs/dbraw/zinc/68/47/40/382684740.db2.gz OXCFIJMROBTOEI-STQMWFEESA-N 1 1 305.382 -0.108 10 0 DBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246603183 382695710 /nfs/dbraw/zinc/69/57/10/382695710.db2.gz XPQSKJNPLSEVOY-FRRDWIJNSA-N 1 1 312.414 -0.127 10 0 DBAEMO Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(=O)N1C ZINC000285424099 391939546 /nfs/dbraw/zinc/93/95/46/391939546.db2.gz ZJEQWDITTGKIKC-SCDSUCTJSA-N 1 1 305.382 -0.098 10 0 DBAEMO Cc1cc(N2CC[C@@H]([N@H+]3C[C@@H](C)[C@H](C(N)=O)C3)C2=O)n(C)n1 ZINC000286148570 391957316 /nfs/dbraw/zinc/95/73/16/391957316.db2.gz LDSHQOOTKOFHEE-YUSALJHKSA-N 1 1 305.382 -0.113 10 0 DBAEMO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000370788657 391967950 /nfs/dbraw/zinc/96/79/50/391967950.db2.gz SUZUQCODISMDEJ-NEPJUHHUSA-N 1 1 319.427 -0.754 10 0 DBAEMO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000370788657 391967951 /nfs/dbraw/zinc/96/79/51/391967951.db2.gz SUZUQCODISMDEJ-NEPJUHHUSA-N 1 1 319.427 -0.754 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000376121095 392017993 /nfs/dbraw/zinc/01/79/93/392017993.db2.gz YNYCCOSUVRFVPM-WOPDTQHZSA-N 1 1 303.428 -0.181 10 0 DBAEMO Cn1ccnc1[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCN1C ZINC000276801550 392150100 /nfs/dbraw/zinc/15/01/00/392150100.db2.gz WGSAJYKQPNQPCM-CHWSQXEVSA-N 1 1 307.398 -0.434 10 0 DBAEMO Cn1ccnc1[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C ZINC000276801550 392150105 /nfs/dbraw/zinc/15/01/05/392150105.db2.gz WGSAJYKQPNQPCM-CHWSQXEVSA-N 1 1 307.398 -0.434 10 0 DBAEMO Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285714486 131195690 /nfs/dbraw/zinc/19/56/90/131195690.db2.gz JKHWPBKOJUIOLG-KBPBESRZSA-N 1 1 321.377 -0.206 10 0 DBAEMO NC(=O)[C@]1(O)CCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000286035458 131216508 /nfs/dbraw/zinc/21/65/08/131216508.db2.gz DNQQKLVLPKZPFQ-HOCLYGCPSA-N 1 1 308.378 -0.124 10 0 DBAEMO C[C@@H]1Oc2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2NC1=O ZINC000032918146 392406597 /nfs/dbraw/zinc/40/65/97/392406597.db2.gz MYJBUXPFFJLDJN-VIFPVBQESA-N 1 1 311.363 0.000 10 0 DBAEMO Cc1nc2c(cnn2C)c(N2CC[NH+](CCOCCO)CC2)n1 ZINC000132975252 392565000 /nfs/dbraw/zinc/56/50/00/392565000.db2.gz QKFKTRAYWWPNQV-UHFFFAOYSA-N 1 1 320.397 -0.197 10 0 DBAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC000178199299 392673892 /nfs/dbraw/zinc/67/38/92/392673892.db2.gz HJAFAMPWHHAUGZ-LSDHHAIUSA-N 1 1 310.442 -0.398 10 0 DBAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC000178199286 392673962 /nfs/dbraw/zinc/67/39/62/392673962.db2.gz HJAFAMPWHHAUGZ-HUUCEWRRSA-N 1 1 310.442 -0.398 10 0 DBAEMO CCn1nccc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408026788 392687992 /nfs/dbraw/zinc/68/79/92/392687992.db2.gz GVRZTICQYDUTOH-VXGBXAGGSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1nccc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000408026788 392687994 /nfs/dbraw/zinc/68/79/94/392687994.db2.gz GVRZTICQYDUTOH-VXGBXAGGSA-N 1 1 314.411 -0.003 10 0 DBAEMO CC(C)[C@H](CNC(=O)N1CCNC(=O)CC1)[NH+]1CCOCC1 ZINC000105103796 392637460 /nfs/dbraw/zinc/63/74/60/392637460.db2.gz UNEIHDPOHIDBNE-ZDUSSCGKSA-N 1 1 312.414 -0.125 10 0 DBAEMO C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1N1CCOCC1 ZINC000407951023 392664043 /nfs/dbraw/zinc/66/40/43/392664043.db2.gz VNTNLNVGTXMTAL-ZIAGYGMSSA-N 1 1 319.471 -0.080 10 0 DBAEMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000408049178 392787816 /nfs/dbraw/zinc/78/78/16/392787816.db2.gz WIRLXUYBQTUVGC-NTZNESFSSA-N 1 1 310.398 -0.881 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000187640006 392973620 /nfs/dbraw/zinc/97/36/20/392973620.db2.gz FUXRFQSSGBEKQF-MNOVXSKESA-N 1 1 306.432 -0.437 10 0 DBAEMO CS(=O)(=O)N1CC(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000188160364 393002656 /nfs/dbraw/zinc/00/26/56/393002656.db2.gz AEBJLFMFSAJQGE-GFCCVEGCSA-N 1 1 316.427 -0.633 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C)CC1 ZINC000189461703 393048761 /nfs/dbraw/zinc/04/87/61/393048761.db2.gz XPFZBDRAHLBVFP-LLVKDONJSA-N 1 1 309.370 -0.726 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)nn2C)CC1 ZINC000189460458 393049533 /nfs/dbraw/zinc/04/95/33/393049533.db2.gz APAZBWWWUVEQFP-LBPRGKRZSA-N 1 1 323.397 -0.418 10 0 DBAEMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC(NC(=O)COC)C1 ZINC000185344638 393489602 /nfs/dbraw/zinc/48/96/02/393489602.db2.gz QOUHOFOLQJBSNW-NSHDSACASA-N 1 1 300.403 -0.127 10 0 DBAEMO CC(C)CS(=O)(=O)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116787551 393502236 /nfs/dbraw/zinc/50/22/36/393502236.db2.gz OSKDZEJZGHADAR-GFCCVEGCSA-N 1 1 306.428 -0.154 10 0 DBAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000117372905 393502701 /nfs/dbraw/zinc/50/27/01/393502701.db2.gz GRJSYLCJGVKTNQ-CYBMUJFWSA-N 1 1 305.444 -0.327 10 0 DBAEMO CC[C@@H]1CN(C[C@@H](O)CN2CCCC2=O)CC[N@H+]1C[C@H](C)O ZINC000247648827 393594328 /nfs/dbraw/zinc/59/43/28/393594328.db2.gz WAQRINWNHOBJAR-RRFJBIMHSA-N 1 1 313.442 -0.253 10 0 DBAEMO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000246585678 393737939 /nfs/dbraw/zinc/73/79/39/393737939.db2.gz STTQVQFWYKMEHU-DCQANWLSSA-N 1 1 310.398 -0.104 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000180753567 287089764 /nfs/dbraw/zinc/08/97/64/287089764.db2.gz BKYWTNYMFGPAQX-CHWSQXEVSA-N 1 1 312.414 -0.295 10 0 DBAEMO CC[N@H+]1CCC[C@@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C)C1 ZINC000329233483 412408774 /nfs/dbraw/zinc/40/87/74/412408774.db2.gz GYJGKTLUOPAVSE-SECBINFHSA-N 1 1 306.370 0.269 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328981140 544456377 /nfs/dbraw/zinc/45/63/77/544456377.db2.gz RRJAEXBYFBEAEK-LXTVHRRPSA-N 1 1 312.410 -0.169 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328981140 544456380 /nfs/dbraw/zinc/45/63/80/544456380.db2.gz RRJAEXBYFBEAEK-LXTVHRRPSA-N 1 1 312.410 -0.169 10 0 DBAEMO C[C@@H](CNC(=O)N[C@@H]1CCCNC1=O)CN1CC[NH+](C)CC1 ZINC000332928592 544549513 /nfs/dbraw/zinc/54/95/13/544549513.db2.gz NZPMISOYUMVSRN-QWHCGFSZSA-N 1 1 311.430 -0.552 10 0 DBAEMO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCNC1=O)[NH+]1CCOCC1 ZINC000332740268 544546815 /nfs/dbraw/zinc/54/68/15/544546815.db2.gz KERYQFPEENUMSB-CHWSQXEVSA-N 1 1 312.414 -0.079 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)[C@H]2C1 ZINC000328989907 277151328 /nfs/dbraw/zinc/15/13/28/277151328.db2.gz CTNJGSZPCNYEGI-SWHYSGLUSA-N 1 1 305.382 -0.159 10 0 DBAEMO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000407998703 278145353 /nfs/dbraw/zinc/14/53/53/278145353.db2.gz RIPFVJJCJSDRHP-FPMFFAJLSA-N 1 1 324.425 -0.301 10 0 DBAEMO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000407998703 278145354 /nfs/dbraw/zinc/14/53/54/278145354.db2.gz RIPFVJJCJSDRHP-FPMFFAJLSA-N 1 1 324.425 -0.301 10 0 DBAEMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000332797193 279226005 /nfs/dbraw/zinc/22/60/05/279226005.db2.gz QHBOJTAQPLOQSX-HFAKWTLXSA-N 1 1 324.381 -0.704 10 0 DBAEMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000332797193 279226006 /nfs/dbraw/zinc/22/60/06/279226006.db2.gz QHBOJTAQPLOQSX-HFAKWTLXSA-N 1 1 324.381 -0.704 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CS(=O)(=O)N(C)C ZINC000408187102 288315573 /nfs/dbraw/zinc/31/55/73/288315573.db2.gz ZGPONOSDFYHARC-RYUDHWBXSA-N 1 1 303.428 -0.037 10 0 DBAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173954782 289332616 /nfs/dbraw/zinc/33/26/16/289332616.db2.gz RMFUFOSOKHCMKG-YPMHNXCESA-N 1 1 310.398 -0.230 10 0 DBAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173954782 289332618 /nfs/dbraw/zinc/33/26/18/289332618.db2.gz RMFUFOSOKHCMKG-YPMHNXCESA-N 1 1 310.398 -0.230 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)C[C@H]1N1CCOCC1 ZINC000246191575 297023579 /nfs/dbraw/zinc/02/35/79/297023579.db2.gz VOEOXWGZFNGIKE-BZUAXINKSA-N 1 1 313.442 -0.668 10 0 DBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000262277574 300604399 /nfs/dbraw/zinc/60/43/99/300604399.db2.gz NNHZBJRTRSWKOG-XQHKEYJVSA-N 1 1 316.423 -0.069 10 0 DBAEMO CCN1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)CC1=O ZINC000181387808 521726115 /nfs/dbraw/zinc/72/61/15/521726115.db2.gz SLDAPWYVEAGGCW-AAEUAGOBSA-N 1 1 305.382 -0.239 10 0 DBAEMO C[NH2+][C@H](C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1)c1cnn(C)c1 ZINC000262464865 522434585 /nfs/dbraw/zinc/43/45/85/522434585.db2.gz XRMFNHLLVVPXHK-SCRDCRAPSA-N 1 1 309.414 -0.094 10 0 DBAEMO CC[C@@H]1CN(C[C@H](O)CN2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000105902649 523446155 /nfs/dbraw/zinc/44/61/55/523446155.db2.gz CICXKYARMMYDMP-BZUAXINKSA-N 1 1 315.458 -0.544 10 0 DBAEMO CC[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1C[C@@H](C)O ZINC000105902649 523446168 /nfs/dbraw/zinc/44/61/68/523446168.db2.gz CICXKYARMMYDMP-BZUAXINKSA-N 1 1 315.458 -0.544 10 0 DBAEMO CC[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCN1C[C@@H](C)O ZINC000105902649 523446175 /nfs/dbraw/zinc/44/61/75/523446175.db2.gz CICXKYARMMYDMP-BZUAXINKSA-N 1 1 315.458 -0.544 10 0 DBAEMO CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCNC1=O ZINC000333084454 523869077 /nfs/dbraw/zinc/86/90/77/523869077.db2.gz MUHMWMZXJWDVLT-GFCCVEGCSA-N 1 1 311.430 -0.458 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNS(C)(=O)=O ZINC000113587859 525085322 /nfs/dbraw/zinc/08/53/22/525085322.db2.gz RGUBMRYVWGRCFU-GHMZBOCLSA-N 1 1 304.416 -0.586 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246958164 525085947 /nfs/dbraw/zinc/08/59/47/525085947.db2.gz DIMJAFZYJHMCPB-MGPQQGTHSA-N 1 1 308.426 -0.121 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246958137 525089610 /nfs/dbraw/zinc/08/96/10/525089610.db2.gz DIMJAFZYJHMCPB-MCIONIFRSA-N 1 1 308.426 -0.121 10 0 DBAEMO C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333591932 525589879 /nfs/dbraw/zinc/58/98/79/525589879.db2.gz OOOQRAXJKOBNKY-YNEHKIRRSA-N 1 1 310.398 -0.230 10 0 DBAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245906531 525930911 /nfs/dbraw/zinc/93/09/11/525930911.db2.gz HSBYUBDZDBJCGZ-OCCSQVGLSA-N 1 1 308.426 -0.108 10 0 DBAEMO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247185952 526107485 /nfs/dbraw/zinc/10/74/85/526107485.db2.gz NWUOIHKVVMWAGN-UPJWGTAASA-N 1 1 315.439 -0.542 10 0 DBAEMO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247185952 526107496 /nfs/dbraw/zinc/10/74/96/526107496.db2.gz NWUOIHKVVMWAGN-UPJWGTAASA-N 1 1 315.439 -0.542 10 0 DBAEMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)N1CCNC(=O)C1 ZINC000337285791 526752018 /nfs/dbraw/zinc/75/20/18/526752018.db2.gz KGJXVIMSUDXDKG-BFHYXJOUSA-N 1 1 309.410 -0.040 10 0 DBAEMO O=C(CNC(=O)N1CCC[N@H+](C2CC2)CC1)N1CCOCC1 ZINC000181852472 526835324 /nfs/dbraw/zinc/83/53/24/526835324.db2.gz OBUMYUMBDLIGHV-UHFFFAOYSA-N 1 1 310.398 -0.275 10 0 DBAEMO CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408029321 535322756 /nfs/dbraw/zinc/32/27/56/535322756.db2.gz HUWXLLQLNPRCKG-ZIAGYGMSSA-N 1 1 308.426 -0.107 10 0 DBAEMO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](NC(=O)NC)C2)CC1 ZINC000408254888 535638219 /nfs/dbraw/zinc/63/82/19/535638219.db2.gz FXIXDWXZHOJRMC-STQMWFEESA-N 1 1 311.430 -0.458 10 0 DBAEMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](NC(=O)NC)C2)CC1 ZINC000408254888 535638222 /nfs/dbraw/zinc/63/82/22/535638222.db2.gz FXIXDWXZHOJRMC-STQMWFEESA-N 1 1 311.430 -0.458 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H](NC(=O)NC)C2)CC1 ZINC000408254888 535638229 /nfs/dbraw/zinc/63/82/29/535638229.db2.gz FXIXDWXZHOJRMC-STQMWFEESA-N 1 1 311.430 -0.458 10 0 DBAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000408384968 536388899 /nfs/dbraw/zinc/38/88/99/536388899.db2.gz JKVZUTUEVVMVHS-MNOVXSKESA-N 1 1 306.370 -0.365 10 0 DBAEMO CCOCC[N@@H+]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@@H]1C ZINC000933058751 664119550 /nfs/dbraw/zinc/11/95/50/664119550.db2.gz ZBPPXZSJAQGLLA-NWDGAFQWSA-N 1 1 311.382 -0.392 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@@H]1C ZINC000933058751 664119553 /nfs/dbraw/zinc/11/95/53/664119553.db2.gz ZBPPXZSJAQGLLA-NWDGAFQWSA-N 1 1 311.382 -0.392 10 0 DBAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H](N)CC(N)=O ZINC000389912147 664168953 /nfs/dbraw/zinc/16/89/53/664168953.db2.gz JOGLJJCMUUXGOC-MRVWCRGKSA-N 1 1 304.394 -0.174 10 0 DBAEMO Cc1noc(C[C@@]2(O)CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000888076907 664393078 /nfs/dbraw/zinc/39/30/78/664393078.db2.gz XFUPYDSFFMNGED-HNNXBMFYSA-N 1 1 324.381 -0.394 10 0 DBAEMO Cc1noc(C[C@@]2(O)CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000888076907 664393081 /nfs/dbraw/zinc/39/30/81/664393081.db2.gz XFUPYDSFFMNGED-HNNXBMFYSA-N 1 1 324.381 -0.394 10 0 DBAEMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCOC[C@@H]2CO)C1 ZINC000912430680 674768745 /nfs/dbraw/zinc/76/87/45/674768745.db2.gz IQPUHLMYDPXIHG-OLZOCXBDSA-N 1 1 314.382 -0.519 10 0 DBAEMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCOC[C@@H]2CO)C1 ZINC000912430680 674768750 /nfs/dbraw/zinc/76/87/50/674768750.db2.gz IQPUHLMYDPXIHG-OLZOCXBDSA-N 1 1 314.382 -0.519 10 0 DBAEMO O=C1NC2(CCOCC2)C(=O)N1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000172504226 674919327 /nfs/dbraw/zinc/91/93/27/674919327.db2.gz BUIDZBYFMBHKMF-GFCCVEGCSA-N 1 1 308.382 -0.175 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC000896209643 671385908 /nfs/dbraw/zinc/38/59/08/671385908.db2.gz AQCOZYVXUMSICB-NSHDSACASA-N 1 1 304.354 -0.347 10 0 DBAEMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)O1 ZINC000898230320 672545871 /nfs/dbraw/zinc/54/58/71/672545871.db2.gz CPQFXIXCXDUAAT-JFGNBEQYSA-N 1 1 322.365 -0.077 10 0 DBAEMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)O1 ZINC000898230320 672545881 /nfs/dbraw/zinc/54/58/81/672545881.db2.gz CPQFXIXCXDUAAT-JFGNBEQYSA-N 1 1 322.365 -0.077 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000173715638 300316540 /nfs/dbraw/zinc/31/65/40/300316540.db2.gz DBGLWXNHTRUGPL-WDEREUQCSA-N 1 1 310.441 -0.471 10 0 DBAEMO Cn1ncc2c1nc(N1CC[C@H]([NH+]3CCOCC3)C1)[nH]c2=O ZINC000329695641 282844324 /nfs/dbraw/zinc/84/43/24/282844324.db2.gz BNLMSPXHOARDPO-JTQLQIEISA-N 1 1 304.354 -0.020 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000089644203 291011749 /nfs/dbraw/zinc/01/17/49/291011749.db2.gz KNDHAHABSNRGNA-NWDGAFQWSA-N 1 1 319.427 -0.105 10 0 DBAEMO Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)n1 ZINC000286203765 138097116 /nfs/dbraw/zinc/09/71/16/138097116.db2.gz OBPCKZFLNNQOQC-ABAIWWIYSA-N 1 1 321.381 -0.772 10 0 DBAEMO Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)n1 ZINC000286203765 138097118 /nfs/dbraw/zinc/09/71/18/138097118.db2.gz OBPCKZFLNNQOQC-ABAIWWIYSA-N 1 1 321.381 -0.772 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000378309786 138197809 /nfs/dbraw/zinc/19/78/09/138197809.db2.gz BRURJZSJYLJVDX-HUUCEWRRSA-N 1 1 319.409 -0.500 10 0 DBAEMO C[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1N1CCOCC1 ZINC000407951021 138200241 /nfs/dbraw/zinc/20/02/41/138200241.db2.gz VNTNLNVGTXMTAL-UONOGXRCSA-N 1 1 319.471 -0.080 10 0 DBAEMO CNS(=O)(=O)CCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000407951779 138200279 /nfs/dbraw/zinc/20/02/79/138200279.db2.gz TYZFGUXDCMTELB-QWHCGFSZSA-N 1 1 305.444 -0.422 10 0 DBAEMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000407998961 138202023 /nfs/dbraw/zinc/20/20/23/138202023.db2.gz UCIYKLDQDDYXBK-GFCCVEGCSA-N 1 1 318.443 -0.401 10 0 DBAEMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1C[N@H+]3CCN1CCC3)CC2 ZINC000408028026 138203434 /nfs/dbraw/zinc/20/34/34/138203434.db2.gz CDYJWEIKRQGVDV-STQMWFEESA-N 1 1 318.425 -0.339 10 0 DBAEMO Cc1[nH]n(C)c2nnc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)c1-2 ZINC000408030557 138203624 /nfs/dbraw/zinc/20/36/24/138203624.db2.gz LQBDMLLLWJALJX-SNVBAGLBSA-N 1 1 303.370 -0.067 10 0 DBAEMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)N1CCCCC1 ZINC000408031292 138203725 /nfs/dbraw/zinc/20/37/25/138203725.db2.gz MANGRSXGVJWZGG-UONOGXRCSA-N 1 1 308.426 -0.107 10 0 DBAEMO CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[N@H+]3CCN1CCC3)CC2 ZINC000408028023 138203949 /nfs/dbraw/zinc/20/39/49/138203949.db2.gz CDYJWEIKRQGVDV-OLZOCXBDSA-N 1 1 318.425 -0.339 10 0 DBAEMO CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000408035903 138204104 /nfs/dbraw/zinc/20/41/04/138204104.db2.gz OIPOUGFORSNEAW-RYUDHWBXSA-N 1 1 319.427 -0.801 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408035365 138204294 /nfs/dbraw/zinc/20/42/94/138204294.db2.gz XLMIOZZCVYBUMG-CZUORRHYSA-N 1 1 306.410 -0.495 10 0 DBAEMO Cc1nnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)[nH]1 ZINC000408033576 138204301 /nfs/dbraw/zinc/20/43/01/138204301.db2.gz NWUOBJDBEJBVKX-STQMWFEESA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CCO2)n[nH]1 ZINC000408033576 138204302 /nfs/dbraw/zinc/20/43/02/138204302.db2.gz NWUOBJDBEJBVKX-STQMWFEESA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)n[nH]1 ZINC000408033576 138204304 /nfs/dbraw/zinc/20/43/04/138204304.db2.gz NWUOBJDBEJBVKX-STQMWFEESA-N 1 1 320.397 -0.597 10 0 DBAEMO Cn1cc(C[C@@H](O)C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000408043351 138204614 /nfs/dbraw/zinc/20/46/14/138204614.db2.gz WLAFIGZHYXWCNY-MCIONIFRSA-N 1 1 308.382 -0.745 10 0 DBAEMO Cc1noc([C@H]2COCCN2C(=O)[C@@H]2C[N@H+]3CCN2CCC3)n1 ZINC000408042872 138204879 /nfs/dbraw/zinc/20/48/79/138204879.db2.gz UOBDAFHMXVVKMM-QWHCGFSZSA-N 1 1 321.381 -0.332 10 0 DBAEMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1nnnn1C ZINC000408071303 138206056 /nfs/dbraw/zinc/20/60/56/138206056.db2.gz NDNGYRNIWZODNH-IVZWLZJFSA-N 1 1 302.404 -0.279 10 0 DBAEMO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000408232106 138211602 /nfs/dbraw/zinc/21/16/02/138211602.db2.gz LVQRXJZHPPFZME-NEPJUHHUSA-N 1 1 322.365 -0.872 10 0 DBAEMO NS(=O)(=O)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000408228827 138211709 /nfs/dbraw/zinc/21/17/09/138211709.db2.gz JWCGLQDVBLZRJZ-GFCCVEGCSA-N 1 1 307.416 -0.259 10 0 DBAEMO Cc1cc(C)nc(CNC(=O)C2CC[NH+](CC(N)=O)CC2)n1 ZINC000091461025 193059839 /nfs/dbraw/zinc/05/98/39/193059839.db2.gz IXMQNTFZWCKGEX-UHFFFAOYSA-N 1 1 305.382 -0.093 10 0 DBAEMO NC(=O)C[NH+]1CCC(C(=O)N[C@H](CO)Cc2ccccc2)CC1 ZINC000092046185 193147082 /nfs/dbraw/zinc/14/70/82/193147082.db2.gz OOABWXUTHLGGSU-HNNXBMFYSA-N 1 1 319.405 -0.097 10 0 DBAEMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1nnnn1C ZINC000408071301 299367630 /nfs/dbraw/zinc/36/76/30/299367630.db2.gz NDNGYRNIWZODNH-AEJSXWLSSA-N 1 1 302.404 -0.279 10 0 DBAEMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000245435160 284347392 /nfs/dbraw/zinc/34/73/92/284347392.db2.gz CSBYKKWEANDSNZ-UONOGXRCSA-N 1 1 310.442 -0.016 10 0 DBAEMO C[NH+]1CCN(NC(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000017032007 182070061 /nfs/dbraw/zinc/07/00/61/182070061.db2.gz VAQPNLLHJNAETC-AVGNSLFASA-N 1 1 309.414 -0.946 10 0 DBAEMO NC(=O)C1CCN(C(=O)C[C@@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000017056097 182073407 /nfs/dbraw/zinc/07/34/07/182073407.db2.gz UWVRYYBWZWMQRS-AGIUHOORSA-N 1 1 322.409 -0.500 10 0 DBAEMO Cn1nccc1C[N@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000643551906 374267056 /nfs/dbraw/zinc/26/70/56/374267056.db2.gz QEZGKSKSELMYBX-VVLHAWIVSA-N 1 1 317.389 -0.070 10 0 DBAEMO COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(C)(C)C ZINC000013594057 374354093 /nfs/dbraw/zinc/35/40/93/374354093.db2.gz IUFFLARXVMCHAA-LLVKDONJSA-N 1 1 313.398 -0.146 10 0 DBAEMO COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(C)(C)C ZINC000013594057 374354099 /nfs/dbraw/zinc/35/40/99/374354099.db2.gz IUFFLARXVMCHAA-LLVKDONJSA-N 1 1 313.398 -0.146 10 0 DBAEMO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247185934 374417226 /nfs/dbraw/zinc/41/72/26/374417226.db2.gz NWUOIHKVVMWAGN-AGIUHOORSA-N 1 1 315.439 -0.542 10 0 DBAEMO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247185934 374417230 /nfs/dbraw/zinc/41/72/30/374417230.db2.gz NWUOIHKVVMWAGN-AGIUHOORSA-N 1 1 315.439 -0.542 10 0 DBAEMO CCC[N@H+](C[C@H](O)CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000128073646 374453170 /nfs/dbraw/zinc/45/31/70/374453170.db2.gz HILPGZYBUYLXMY-OLZOCXBDSA-N 1 1 318.439 -0.131 10 0 DBAEMO CCC[N@@H+](C[C@H](O)CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000128073646 374453178 /nfs/dbraw/zinc/45/31/78/374453178.db2.gz HILPGZYBUYLXMY-OLZOCXBDSA-N 1 1 318.439 -0.131 10 0 DBAEMO CNS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000408044345 374692111 /nfs/dbraw/zinc/69/21/11/374692111.db2.gz UMIOWGHOGUMSBP-XQQFMLRXSA-N 1 1 306.428 -0.213 10 0 DBAEMO CNS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000408044345 374692115 /nfs/dbraw/zinc/69/21/15/374692115.db2.gz UMIOWGHOGUMSBP-XQQFMLRXSA-N 1 1 306.428 -0.213 10 0 DBAEMO CNS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408044346 374692265 /nfs/dbraw/zinc/69/22/65/374692265.db2.gz UMIOWGHOGUMSBP-YNEHKIRRSA-N 1 1 306.428 -0.213 10 0 DBAEMO CNS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408044346 374692269 /nfs/dbraw/zinc/69/22/69/374692269.db2.gz UMIOWGHOGUMSBP-YNEHKIRRSA-N 1 1 306.428 -0.213 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H](C(N)=O)O[C@@H](C)C2)CC1 ZINC000625736700 374716041 /nfs/dbraw/zinc/71/60/41/374716041.db2.gz OGIUWAXANFWGOJ-RWMBFGLXSA-N 1 1 312.414 -0.886 10 0 DBAEMO CNC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000247486466 374803043 /nfs/dbraw/zinc/80/30/43/374803043.db2.gz GJULUEFNDBMBHM-AAEUAGOBSA-N 1 1 305.382 -0.017 10 0 DBAEMO Cc1nsc(N2CCCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)n1 ZINC000237717366 375030588 /nfs/dbraw/zinc/03/05/88/375030588.db2.gz QBQGQPJLMTURGZ-NSHDSACASA-N 1 1 311.411 -0.126 10 0 DBAEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000103285604 375430135 /nfs/dbraw/zinc/43/01/35/375430135.db2.gz XGUAIHHMQDVALI-CHWSQXEVSA-N 1 1 324.425 -0.299 10 0 DBAEMO CC(C)C[N@H+]1CCN2C(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H]2C1 ZINC000014752460 375485009 /nfs/dbraw/zinc/48/50/09/375485009.db2.gz SCTUNFDESWTRSN-QWHCGFSZSA-N 1 1 305.382 -0.381 10 0 DBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCCOc1cccc(F)c1 ZINC000179174024 375517843 /nfs/dbraw/zinc/51/78/43/375517843.db2.gz FNRIEGQTWKWIRX-OLZOCXBDSA-N 1 1 312.341 -0.252 10 0 DBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCCOc1cccc(F)c1 ZINC000179174024 375517846 /nfs/dbraw/zinc/51/78/46/375517846.db2.gz FNRIEGQTWKWIRX-OLZOCXBDSA-N 1 1 312.341 -0.252 10 0 DBAEMO CC[C@H]1CN(CCNS(=O)(=O)CC)CC[N@H+]1CCOC ZINC000109328897 375615077 /nfs/dbraw/zinc/61/50/77/375615077.db2.gz PWGGMWSXKUOBRU-ZDUSSCGKSA-N 1 1 307.460 -0.032 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000247076864 377132514 /nfs/dbraw/zinc/13/25/14/377132514.db2.gz HRMGXWQZXVQUNQ-RYUDHWBXSA-N 1 1 320.397 -0.325 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1C ZINC000328785722 378186631 /nfs/dbraw/zinc/18/66/31/378186631.db2.gz OIKLYTAFFINAOK-WOPDTQHZSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1C ZINC000328785722 378186637 /nfs/dbraw/zinc/18/66/37/378186637.db2.gz OIKLYTAFFINAOK-WOPDTQHZSA-N 1 1 307.398 -0.177 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000104210984 378342736 /nfs/dbraw/zinc/34/27/36/378342736.db2.gz LCBYACRUWIFZRG-CYBMUJFWSA-N 1 1 314.455 -0.339 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000194646955 378343463 /nfs/dbraw/zinc/34/34/63/378343463.db2.gz VIWQXLDELSSMIX-NSHDSACASA-N 1 1 318.381 -0.270 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1C ZINC000329181241 378464535 /nfs/dbraw/zinc/46/45/35/378464535.db2.gz DSIZXDPYWGPYEZ-NWDGAFQWSA-N 1 1 311.382 -0.561 10 0 DBAEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000334106799 378572355 /nfs/dbraw/zinc/57/23/55/378572355.db2.gz YPAVWDBBODFPDZ-STQMWFEESA-N 1 1 324.425 -0.104 10 0 DBAEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000334106799 378572360 /nfs/dbraw/zinc/57/23/60/378572360.db2.gz YPAVWDBBODFPDZ-STQMWFEESA-N 1 1 324.425 -0.104 10 0 DBAEMO OC[C@@H]1C[C@H](F)CN1CC1(C[N@H+]2C[C@@H](F)C[C@H]2CO)COC1 ZINC000372598760 379635574 /nfs/dbraw/zinc/63/55/74/379635574.db2.gz DQJIKTSZTQZCGC-XUXIUFHCSA-N 1 1 320.380 -0.188 10 0 DBAEMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C(N)=O)O1 ZINC000122987626 379673686 /nfs/dbraw/zinc/67/36/86/379673686.db2.gz IDYMVBWMWHNTJQ-NTZNESFSSA-N 1 1 310.398 -0.245 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000175587322 379716601 /nfs/dbraw/zinc/71/66/01/379716601.db2.gz VOEOXWGZFNGIKE-OAGGEKHMSA-N 1 1 313.442 -0.668 10 0 DBAEMO C[C@H]1CN(C(=O)NCCNC(=O)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175626749 379716713 /nfs/dbraw/zinc/71/67/13/379716713.db2.gz GCSWHWYPECFENK-GXTWGEPZSA-N 1 1 324.425 -0.125 10 0 DBAEMO COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000176438163 379719174 /nfs/dbraw/zinc/71/91/74/379719174.db2.gz PWPQOSMMILRCDN-CYBMUJFWSA-N 1 1 302.419 -0.416 10 0 DBAEMO CC(=O)N1CCN(C(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000177780849 379725582 /nfs/dbraw/zinc/72/55/82/379725582.db2.gz CIZUBGJMMRFWGD-OAHLLOKOSA-N 1 1 308.426 -0.153 10 0 DBAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCNS(C)(=O)=O ZINC000177346053 379726026 /nfs/dbraw/zinc/72/60/26/379726026.db2.gz SRMKKCJILNOVER-NSHDSACASA-N 1 1 306.432 -0.339 10 0 DBAEMO CCOCC[N@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000179511539 379742079 /nfs/dbraw/zinc/74/20/79/379742079.db2.gz IQGUYXDNNUFPBY-ZDUSSCGKSA-N 1 1 324.425 -0.373 10 0 DBAEMO CCOCCN1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000179511539 379742086 /nfs/dbraw/zinc/74/20/86/379742086.db2.gz IQGUYXDNNUFPBY-ZDUSSCGKSA-N 1 1 324.425 -0.373 10 0 DBAEMO CCOCCN1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000179511539 379742095 /nfs/dbraw/zinc/74/20/95/379742095.db2.gz IQGUYXDNNUFPBY-ZDUSSCGKSA-N 1 1 324.425 -0.373 10 0 DBAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CN2CCCCC2=O)cn1 ZINC000181326490 379747638 /nfs/dbraw/zinc/74/76/38/379747638.db2.gz FUDQYJXSBKPSHY-ZDUSSCGKSA-N 1 1 305.382 -0.095 10 0 DBAEMO CCOCC[N@@H+]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC000181992102 379751641 /nfs/dbraw/zinc/75/16/41/379751641.db2.gz TXWPAAZBURQDMT-LBPRGKRZSA-N 1 1 311.386 -0.849 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC000181992102 379751651 /nfs/dbraw/zinc/75/16/51/379751651.db2.gz TXWPAAZBURQDMT-LBPRGKRZSA-N 1 1 311.386 -0.849 10 0 DBAEMO O=C(CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CCOCC1 ZINC000181858752 379751849 /nfs/dbraw/zinc/75/18/49/379751849.db2.gz RAQKEJAHDCEDOL-ZDUSSCGKSA-N 1 1 310.398 -0.275 10 0 DBAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000182576576 379752581 /nfs/dbraw/zinc/75/25/81/379752581.db2.gz ZXXZSYSFTBAXKT-UHFFFAOYSA-N 1 1 318.381 -0.203 10 0 DBAEMO CCOCC[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000172605162 379701812 /nfs/dbraw/zinc/70/18/12/379701812.db2.gz YURPRSHAKSIHEJ-ZDUSSCGKSA-N 1 1 322.413 -0.043 10 0 DBAEMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)NCC(=O)N1CCCC1 ZINC000172802206 379702182 /nfs/dbraw/zinc/70/21/82/379702182.db2.gz HACCQPQYIQAGAU-AWEZNQCLSA-N 1 1 308.426 -0.105 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C ZINC000174347889 379711561 /nfs/dbraw/zinc/71/15/61/379711561.db2.gz ZPOMGISYMBRTGP-CHWSQXEVSA-N 1 1 320.393 -0.275 10 0 DBAEMO CCc1nc2n(n1)C[C@@H](NC(=O)NCC[N@@H+](CC)CCO)CC2 ZINC000187289257 379766188 /nfs/dbraw/zinc/76/61/88/379766188.db2.gz GXKYBQAKNUMAIQ-LBPRGKRZSA-N 1 1 324.429 -0.231 10 0 DBAEMO Cc1cc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n[nH]1 ZINC000187189530 379767124 /nfs/dbraw/zinc/76/71/24/379767124.db2.gz YTVJBPSXLNPYDE-CQSZACIVSA-N 1 1 309.414 -0.467 10 0 DBAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000188152781 379769814 /nfs/dbraw/zinc/76/98/14/379769814.db2.gz VAKAQPTUNZJYJF-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000189323813 379778560 /nfs/dbraw/zinc/77/85/60/379778560.db2.gz KTRUUSFTRDJSNH-QWHCGFSZSA-N 1 1 323.397 -0.086 10 0 DBAEMO COCC[N@@H+](C)CCCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191449179 379788556 /nfs/dbraw/zinc/78/85/56/379788556.db2.gz CPGOXORIVSETLR-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO Cn1c(=O)ccn(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1=O ZINC000195085513 379929482 /nfs/dbraw/zinc/92/94/82/379929482.db2.gz PWNGOBQIFGGSDG-LBPRGKRZSA-N 1 1 306.366 -0.756 10 0 DBAEMO C[N@@H+]1C[C@H]2CN(CC(=O)NC(=O)NCC(F)(F)F)C[C@H]2C1 ZINC000193618933 379926910 /nfs/dbraw/zinc/92/69/10/379926910.db2.gz KOHDSASLLGGBMM-DTORHVGOSA-N 1 1 308.304 -0.132 10 0 DBAEMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105866567 379874158 /nfs/dbraw/zinc/87/41/58/379874158.db2.gz GCGJJEABKHCWIN-JTQLQIEISA-N 1 1 324.385 -0.270 10 0 DBAEMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105866567 379874162 /nfs/dbraw/zinc/87/41/62/379874162.db2.gz GCGJJEABKHCWIN-JTQLQIEISA-N 1 1 324.385 -0.270 10 0 DBAEMO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112744091 379880095 /nfs/dbraw/zinc/88/00/95/379880095.db2.gz FVWCHXYRBSIRJV-GFCCVEGCSA-N 1 1 310.402 -0.140 10 0 DBAEMO CN(C)C(=O)Cn1cc(C(=O)N2CCC[N@H+](C3CC3)CC2)nn1 ZINC000061604075 379927738 /nfs/dbraw/zinc/92/77/38/379927738.db2.gz XLVZEWOQXHIDJB-UHFFFAOYSA-N 1 1 320.397 -0.323 10 0 DBAEMO O=C(CN1CCC[N@H+](C2CC2)CC1)NCC(=O)N1CCCC1 ZINC000061040750 379927779 /nfs/dbraw/zinc/92/77/79/379927779.db2.gz NTGOEGWYJIPHDM-UHFFFAOYSA-N 1 1 308.426 -0.105 10 0 DBAEMO CC(=O)N1CCN(C(=O)CN2CCC[N@H+](C3CC3)CC2)CC1 ZINC000061041306 379927857 /nfs/dbraw/zinc/92/78/57/379927857.db2.gz UYKCMHWQSKDDDD-UHFFFAOYSA-N 1 1 308.426 -0.153 10 0 DBAEMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509035 379931403 /nfs/dbraw/zinc/93/14/03/379931403.db2.gz CZHQFQXNYLOXER-LLVKDONJSA-N 1 1 323.397 -0.101 10 0 DBAEMO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509032 379931645 /nfs/dbraw/zinc/93/16/45/379931645.db2.gz CZHQFQXNYLOXER-NSHDSACASA-N 1 1 323.397 -0.101 10 0 DBAEMO C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1N1CCOCC1 ZINC000245716071 379942717 /nfs/dbraw/zinc/94/27/17/379942717.db2.gz GXZXWAPKFKPLNJ-TZMCWYRMSA-N 1 1 322.409 -0.764 10 0 DBAEMO CC[C@H]1CN(CCNS(=O)(=O)CC)CC[N@H+]1C[C@H](C)O ZINC000246055754 380070420 /nfs/dbraw/zinc/07/04/20/380070420.db2.gz XGPWLJFAGRMQNS-STQMWFEESA-N 1 1 307.460 -0.297 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)no1 ZINC000246782224 380098327 /nfs/dbraw/zinc/09/83/27/380098327.db2.gz PZNMFESBQUKNIJ-ZJUUUORDSA-N 1 1 310.354 -0.165 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)no1 ZINC000246782224 380098338 /nfs/dbraw/zinc/09/83/38/380098338.db2.gz PZNMFESBQUKNIJ-ZJUUUORDSA-N 1 1 310.354 -0.165 10 0 DBAEMO CC[C@@H]1CN(C[C@@H](O)CN2CCCC2=O)CC[N@H+]1C[C@@H](C)O ZINC000247648826 380104715 /nfs/dbraw/zinc/10/47/15/380104715.db2.gz WAQRINWNHOBJAR-RBSFLKMASA-N 1 1 313.442 -0.253 10 0 DBAEMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247542858 380106105 /nfs/dbraw/zinc/10/61/05/380106105.db2.gz YONHBIFFFUVWOU-GRYCIOLGSA-N 1 1 306.428 -0.277 10 0 DBAEMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247542858 380106111 /nfs/dbraw/zinc/10/61/11/380106111.db2.gz YONHBIFFFUVWOU-GRYCIOLGSA-N 1 1 306.428 -0.277 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247284289 380106252 /nfs/dbraw/zinc/10/62/52/380106252.db2.gz KLPDLKCWCFPNMP-VXGBXAGGSA-N 1 1 320.459 -0.046 10 0 DBAEMO Cn1cc(S(=O)(=O)NCCN2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000247471020 380106316 /nfs/dbraw/zinc/10/63/16/380106316.db2.gz JFSFBGPRNSXWCR-LBPRGKRZSA-N 1 1 313.427 -0.522 10 0 DBAEMO CC(=O)NCCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248647686 380109857 /nfs/dbraw/zinc/10/98/57/380109857.db2.gz TUTGJOAOJLNKBX-NEPJUHHUSA-N 1 1 300.403 -0.391 10 0 DBAEMO C[N@@H+]1CCN(CC(=O)N2CCNC(=O)C2)[C@@H](c2ccccc2)C1 ZINC000248411095 380110147 /nfs/dbraw/zinc/11/01/47/380110147.db2.gz YSLZYNWLPKVWRZ-OAHLLOKOSA-N 1 1 316.405 -0.067 10 0 DBAEMO C[N@H+]1CCN(CC(=O)N2CCNC(=O)C2)[C@@H](c2ccccc2)C1 ZINC000248411095 380110151 /nfs/dbraw/zinc/11/01/51/380110151.db2.gz YSLZYNWLPKVWRZ-OAHLLOKOSA-N 1 1 316.405 -0.067 10 0 DBAEMO C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H](O)CN1CCOCC1 ZINC000246157928 381579176 /nfs/dbraw/zinc/57/91/76/381579176.db2.gz QCMXSYMHOIWJJT-ZIAGYGMSSA-N 1 1 304.431 -0.213 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C[C@H]1C ZINC000246255625 381580291 /nfs/dbraw/zinc/58/02/91/381580291.db2.gz OXRLDUBNEUNULQ-MNOVXSKESA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C[C@H]1C ZINC000246255625 381580295 /nfs/dbraw/zinc/58/02/95/381580295.db2.gz OXRLDUBNEUNULQ-MNOVXSKESA-N 1 1 309.370 -0.728 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249971095 381606141 /nfs/dbraw/zinc/60/61/41/381606141.db2.gz IBOPDXFMSJUXRR-LBPRGKRZSA-N 1 1 319.427 -0.104 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249971095 381606146 /nfs/dbraw/zinc/60/61/46/381606146.db2.gz IBOPDXFMSJUXRR-LBPRGKRZSA-N 1 1 319.427 -0.104 10 0 DBAEMO CCN1CCN(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)C(=O)C1=O ZINC000247293040 381594521 /nfs/dbraw/zinc/59/45/21/381594521.db2.gz KYAVBBVFXRUWCR-CHWSQXEVSA-N 1 1 324.425 -0.478 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000247206153 381594961 /nfs/dbraw/zinc/59/49/61/381594961.db2.gz XOZXANAOYUHPNH-NWDGAFQWSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@H+]1C[C@H](C)O ZINC000247206153 381594972 /nfs/dbraw/zinc/59/49/72/381594972.db2.gz XOZXANAOYUHPNH-NWDGAFQWSA-N 1 1 323.397 -0.338 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000247501593 381595779 /nfs/dbraw/zinc/59/57/79/381595779.db2.gz LTFPJCBLALNNCS-LSDHHAIUSA-N 1 1 311.426 -0.234 10 0 DBAEMO CCN1CCN(CC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)C(=O)C1=O ZINC000177012428 381961595 /nfs/dbraw/zinc/96/15/95/381961595.db2.gz DUCBBTYSWCESIB-ZDUSSCGKSA-N 1 1 324.425 -0.380 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000184861923 382104105 /nfs/dbraw/zinc/10/41/05/382104105.db2.gz VLHMQFUVYMREPR-RYUDHWBXSA-N 1 1 300.403 -0.439 10 0 DBAEMO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404134813 382405315 /nfs/dbraw/zinc/40/53/15/382405315.db2.gz WOMBOQIIIPJWNU-NXEZZACHSA-N 1 1 320.802 -0.175 10 0 DBAEMO Cc1nc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cn1C ZINC000404153582 382405819 /nfs/dbraw/zinc/40/58/19/382405819.db2.gz NNVIRJMCMKIYTA-MNOVXSKESA-N 1 1 300.384 -0.520 10 0 DBAEMO Cn1ncc2c1nc(NC[C@H]1C[N@@H+](C3CC3)CCO1)[nH]c2=O ZINC000066745983 382650186 /nfs/dbraw/zinc/65/01/86/382650186.db2.gz JBYHMIMWFPOTSP-JTQLQIEISA-N 1 1 304.354 -0.068 10 0 DBAEMO Cn1ncc2c1nc(NC[C@H]1C[N@H+](C3CC3)CCO1)[nH]c2=O ZINC000066745983 382650187 /nfs/dbraw/zinc/65/01/87/382650187.db2.gz JBYHMIMWFPOTSP-JTQLQIEISA-N 1 1 304.354 -0.068 10 0 DBAEMO CO[C@@H]1C[C@H](c2nc(C)no2)N(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000328625443 532969348 /nfs/dbraw/zinc/96/93/48/532969348.db2.gz KTRUUSFTRDJSNH-CHWSQXEVSA-N 1 1 323.397 -0.086 10 0 DBAEMO Cn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000285036530 131132696 /nfs/dbraw/zinc/13/26/96/131132696.db2.gz NAUIOZAXFGOAGM-VXGBXAGGSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000285036530 131132697 /nfs/dbraw/zinc/13/26/97/131132697.db2.gz NAUIOZAXFGOAGM-VXGBXAGGSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000154922865 392543041 /nfs/dbraw/zinc/54/30/41/392543041.db2.gz ZRMWTMQPTRHCHF-GFCCVEGCSA-N 1 1 306.366 -0.283 10 0 DBAEMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000154922865 392543047 /nfs/dbraw/zinc/54/30/47/392543047.db2.gz ZRMWTMQPTRHCHF-GFCCVEGCSA-N 1 1 306.366 -0.283 10 0 DBAEMO C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H](O)CN1CCOCC1 ZINC000175594801 392630761 /nfs/dbraw/zinc/63/07/61/392630761.db2.gz QCMXSYMHOIWJJT-UONOGXRCSA-N 1 1 304.431 -0.213 10 0 DBAEMO CCOCCNC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000175960218 392634154 /nfs/dbraw/zinc/63/41/54/392634154.db2.gz VIWDEKKAHHGVDN-ZIAGYGMSSA-N 1 1 301.431 -0.084 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CSC[C@H]2C(=O)N(C)C)[N@H+](C)C1 ZINC000408052961 392787895 /nfs/dbraw/zinc/78/78/95/392787895.db2.gz WPFQWKIWKNLXIN-DCAQKATOSA-N 1 1 301.412 -0.305 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CSC[C@H]2C(=O)N(C)C)[N@@H+](C)C1 ZINC000408052961 392787898 /nfs/dbraw/zinc/78/78/98/392787898.db2.gz WPFQWKIWKNLXIN-DCAQKATOSA-N 1 1 301.412 -0.305 10 0 DBAEMO C[N@@H+](CC(=O)N1CCC[C@](O)(C(N)=O)C1)[C@H]1CCSC1 ZINC000408056745 392790247 /nfs/dbraw/zinc/79/02/47/392790247.db2.gz LACDZEDQPMVGBQ-GXFFZTMASA-N 1 1 301.412 -0.738 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CSCN2C(C)=O)CC1 ZINC000408099691 392809913 /nfs/dbraw/zinc/80/99/13/392809913.db2.gz XWIUDTMGVBNHGW-QWHCGFSZSA-N 1 1 315.439 -0.177 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2CSCC2=O)C[C@@H]1C ZINC000408109097 392812901 /nfs/dbraw/zinc/81/29/01/392812901.db2.gz DCCYMNADWJUWIP-QWRGUYRKSA-N 1 1 301.412 -0.567 10 0 DBAEMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H](C(N)=O)O1 ZINC000408276776 392836014 /nfs/dbraw/zinc/83/60/14/392836014.db2.gz KXOBGHYQAWBDGA-NDBYEHHHSA-N 1 1 310.398 -0.103 10 0 DBAEMO C[C@@H]1CN(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)[C@H](C)CO1 ZINC000408431447 392873658 /nfs/dbraw/zinc/87/36/58/392873658.db2.gz HRDGVYAVJOFZPF-CHWSQXEVSA-N 1 1 321.443 -0.660 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)nn2C)CC1 ZINC000189460473 393048644 /nfs/dbraw/zinc/04/86/44/393048644.db2.gz APAZBWWWUVEQFP-GFCCVEGCSA-N 1 1 323.397 -0.418 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H]1C ZINC000248571669 393251958 /nfs/dbraw/zinc/25/19/58/393251958.db2.gz CSKGHKSNCJCDEK-FRRDWIJNSA-N 1 1 322.413 -0.311 10 0 DBAEMO Cc1cc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n2ncnc2n1 ZINC000333912053 393366431 /nfs/dbraw/zinc/36/64/31/393366431.db2.gz LSEIJFNBOWFROH-GFCCVEGCSA-N 1 1 315.381 -0.167 10 0 DBAEMO CC[C@H]1CN(C(=O)NCC(=O)N(C)CC)CC[N@H+]1C[C@@H](C)O ZINC000186183626 393490585 /nfs/dbraw/zinc/49/05/85/393490585.db2.gz HUADFECICLTZAN-OLZOCXBDSA-N 1 1 314.430 -0.049 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000247079023 393593109 /nfs/dbraw/zinc/59/31/09/393593109.db2.gz LHLNBUXTOKZGRL-STQMWFEESA-N 1 1 312.414 -0.044 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000247079023 393593113 /nfs/dbraw/zinc/59/31/13/393593113.db2.gz LHLNBUXTOKZGRL-STQMWFEESA-N 1 1 312.414 -0.044 10 0 DBAEMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000246835084 297101163 /nfs/dbraw/zinc/10/11/63/297101163.db2.gz DBGLWXNHTRUGPL-MNOVXSKESA-N 1 1 310.441 -0.471 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000246835084 297101164 /nfs/dbraw/zinc/10/11/64/297101164.db2.gz DBGLWXNHTRUGPL-MNOVXSKESA-N 1 1 310.441 -0.471 10 0 DBAEMO CC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[N@H+]1CCOC ZINC000329685207 544486891 /nfs/dbraw/zinc/48/68/91/544486891.db2.gz ZWQZZLSTJMQBFS-NSHDSACASA-N 1 1 312.370 -0.052 10 0 DBAEMO CN1CCN(c2cc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)ccn2)CC1 ZINC000262371406 544658549 /nfs/dbraw/zinc/65/85/49/544658549.db2.gz WETYGFKPKGUHER-UONOGXRCSA-N 1 1 319.409 -0.857 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)[C@@H](C)C1 ZINC000330174834 278293409 /nfs/dbraw/zinc/29/34/09/278293409.db2.gz IOBXYZJTPRRDNN-BTFPBAQTSA-N 1 1 312.410 -0.049 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)[C@@H](C)C1 ZINC000330174834 278293411 /nfs/dbraw/zinc/29/34/11/278293411.db2.gz IOBXYZJTPRRDNN-BTFPBAQTSA-N 1 1 312.410 -0.049 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@H]1C ZINC000177607912 278396547 /nfs/dbraw/zinc/39/65/47/278396547.db2.gz XMKDBYZQPYUTLP-GHMZBOCLSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C)n2)C[C@H]1C ZINC000177607912 278396548 /nfs/dbraw/zinc/39/65/48/278396548.db2.gz XMKDBYZQPYUTLP-GHMZBOCLSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CCc2nncn2C1 ZINC000329416752 279112896 /nfs/dbraw/zinc/11/28/96/279112896.db2.gz DGRUKSRVCVYTEK-JHJVBQTASA-N 1 1 307.398 -0.246 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C(=O)N(C)CC)CC1 ZINC000187877842 288108484 /nfs/dbraw/zinc/10/84/84/288108484.db2.gz RQWLVHZOIYBDJW-OLZOCXBDSA-N 1 1 314.430 -0.049 10 0 DBAEMO C[C@@H]1CN(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)[C@@H](C)CO1 ZINC000408431449 288231944 /nfs/dbraw/zinc/23/19/44/288231944.db2.gz HRDGVYAVJOFZPF-QWHCGFSZSA-N 1 1 321.443 -0.660 10 0 DBAEMO C[NH+](C)C[C@H]1CN(S(=O)(=O)CCN2CCCC2)CCO1 ZINC000192668186 289218105 /nfs/dbraw/zinc/21/81/05/289218105.db2.gz XKZXNLQPAINIAR-ZDUSSCGKSA-N 1 1 305.444 -0.326 10 0 DBAEMO CN(C)[C@@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21)c1cncn1C ZINC000285056115 289271730 /nfs/dbraw/zinc/27/17/30/289271730.db2.gz QOPPMZXXDCWIJZ-QLFBSQMISA-N 1 1 321.425 -0.046 10 0 DBAEMO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000173715638 300316537 /nfs/dbraw/zinc/31/65/37/300316537.db2.gz DBGLWXNHTRUGPL-WDEREUQCSA-N 1 1 310.441 -0.471 10 0 DBAEMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C2(CO)COC2)C[C@H](C)O1 ZINC000332797627 332873424 /nfs/dbraw/zinc/87/34/24/332873424.db2.gz MJNIXFOZXRTPNK-RYUDHWBXSA-N 1 1 300.399 -0.001 10 0 DBAEMO COCC(=O)NC1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000188398441 333045569 /nfs/dbraw/zinc/04/55/69/333045569.db2.gz FYVXYRGLJDDBSV-NSHDSACASA-N 1 1 310.398 -0.373 10 0 DBAEMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCO)CC2)[C@@H](C)CO1 ZINC000408211769 518180111 /nfs/dbraw/zinc/18/01/11/518180111.db2.gz QXJZUKMDICGTLS-QWHCGFSZSA-N 1 1 321.443 -0.660 10 0 DBAEMO CCOCC[N@H+]1CCN(CCCN2C(=O)CNC2=O)C[C@@H]1C ZINC000105835529 519920252 /nfs/dbraw/zinc/92/02/52/519920252.db2.gz VYYZPZUZDYPFJN-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO CCOCCN1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1C ZINC000105835529 519920255 /nfs/dbraw/zinc/92/02/55/519920255.db2.gz VYYZPZUZDYPFJN-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO CCOCCN1CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1C ZINC000105835529 519920256 /nfs/dbraw/zinc/92/02/56/519920256.db2.gz VYYZPZUZDYPFJN-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO CCn1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000130859930 523403757 /nfs/dbraw/zinc/40/37/57/523403757.db2.gz OFXICMSYYNYQNX-NWDGAFQWSA-N 1 1 323.397 -0.245 10 0 DBAEMO CCn1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000130859930 523403764 /nfs/dbraw/zinc/40/37/64/523403764.db2.gz OFXICMSYYNYQNX-NWDGAFQWSA-N 1 1 323.397 -0.245 10 0 DBAEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000249037412 523714872 /nfs/dbraw/zinc/71/48/72/523714872.db2.gz GFQYGLHPJUNKEH-ZYHUDNBSSA-N 1 1 309.366 -0.285 10 0 DBAEMO CN1CCN(Cc2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)CC1=O ZINC000333185054 523913435 /nfs/dbraw/zinc/91/34/35/523913435.db2.gz NTWTYMXHYHMKSL-NEPJUHHUSA-N 1 1 321.381 -0.121 10 0 DBAEMO CN1CCN(Cc2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)CC1=O ZINC000333185054 523913439 /nfs/dbraw/zinc/91/34/39/523913439.db2.gz NTWTYMXHYHMKSL-NEPJUHHUSA-N 1 1 321.381 -0.121 10 0 DBAEMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247165743 524098783 /nfs/dbraw/zinc/09/87/83/524098783.db2.gz MQKZIBBAQWSCHU-JSGCOSHPSA-N 1 1 308.426 -0.121 10 0 DBAEMO CS(=O)(=O)NCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105107495 525194102 /nfs/dbraw/zinc/19/41/02/525194102.db2.gz PVJQYXHDIHNMGP-NSHDSACASA-N 1 1 304.416 -0.585 10 0 DBAEMO Cc1ccnc2nc(C(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)nn21 ZINC000266236584 525719657 /nfs/dbraw/zinc/71/96/57/525719657.db2.gz OWHXAFBRMXZDNH-NWDGAFQWSA-N 1 1 318.381 -0.040 10 0 DBAEMO Cc1ccnc2nc(C(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)nn21 ZINC000266236584 525719666 /nfs/dbraw/zinc/71/96/66/525719666.db2.gz OWHXAFBRMXZDNH-NWDGAFQWSA-N 1 1 318.381 -0.040 10 0 DBAEMO O=C(NCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccn[nH]1 ZINC000181872612 526326353 /nfs/dbraw/zinc/32/63/53/526326353.db2.gz ARLABGWQOHEGMU-LLVKDONJSA-N 1 1 306.370 -0.371 10 0 DBAEMO Cc1nc(C2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n[nH]1 ZINC000366022272 526782888 /nfs/dbraw/zinc/78/28/88/526782888.db2.gz AVMAVBKMVSARGH-CQSZACIVSA-N 1 1 309.414 -0.014 10 0 DBAEMO Cc1nnc(C2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)[nH]1 ZINC000366022272 526782895 /nfs/dbraw/zinc/78/28/95/526782895.db2.gz AVMAVBKMVSARGH-CQSZACIVSA-N 1 1 309.414 -0.014 10 0 DBAEMO O=C(CO)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000152332794 526903983 /nfs/dbraw/zinc/90/39/83/526903983.db2.gz HKWRVSMMGYMCOU-OAHLLOKOSA-N 1 1 308.378 -0.299 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000247032726 526977371 /nfs/dbraw/zinc/97/73/71/526977371.db2.gz VAQZMQMZVKTRHM-LSDHHAIUSA-N 1 1 311.426 -0.376 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000408026250 536126874 /nfs/dbraw/zinc/12/68/74/536126874.db2.gz CYUGGPDPLRWUPS-VXGBXAGGSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000408026250 536126878 /nfs/dbraw/zinc/12/68/78/536126878.db2.gz CYUGGPDPLRWUPS-VXGBXAGGSA-N 1 1 314.411 -0.003 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC000408065719 536467849 /nfs/dbraw/zinc/46/78/49/536467849.db2.gz PYMLZTBIAZVNRG-RYUDHWBXSA-N 1 1 324.381 -0.750 10 0 DBAEMO COCCCNC(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375511154 536569770 /nfs/dbraw/zinc/56/97/70/536569770.db2.gz YNBWRJOHIQMJOS-RKDXNWHRSA-N 1 1 311.304 -0.265 10 0 DBAEMO COCCCNC(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375511154 536569775 /nfs/dbraw/zinc/56/97/75/536569775.db2.gz YNBWRJOHIQMJOS-RKDXNWHRSA-N 1 1 311.304 -0.265 10 0 DBAEMO CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@@H]1C ZINC000933058752 664119375 /nfs/dbraw/zinc/11/93/75/664119375.db2.gz ZBPPXZSJAQGLLA-RYUDHWBXSA-N 1 1 311.382 -0.392 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@@H]1C ZINC000933058752 664119378 /nfs/dbraw/zinc/11/93/78/664119378.db2.gz ZBPPXZSJAQGLLA-RYUDHWBXSA-N 1 1 311.382 -0.392 10 0 DBAEMO NC(=O)[C@H](F)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000913103268 674790511 /nfs/dbraw/zinc/79/05/11/674790511.db2.gz FHHQFQTVFJJKKK-YNEHKIRRSA-N 1 1 313.373 -0.088 10 0 DBAEMO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000897722280 672508940 /nfs/dbraw/zinc/50/89/40/672508940.db2.gz WNALMBMSWGOXAR-RYUDHWBXSA-N 1 1 307.354 -0.575 10 0 DBAEMO CN(C)[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)c1cncn1C ZINC000285056104 282232748 /nfs/dbraw/zinc/23/27/48/282232748.db2.gz QOPPMZXXDCWIJZ-KKUMJFAQSA-N 1 1 321.425 -0.046 10 0 DBAEMO C[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)N1CCOCC1 ZINC000261629852 295737464 /nfs/dbraw/zinc/73/74/64/295737464.db2.gz AVQMXLJUMKHJLJ-STQMWFEESA-N 1 1 307.398 -0.386 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]2C1 ZINC000408043118 283084412 /nfs/dbraw/zinc/08/44/12/283084412.db2.gz VFBLPWXBICZEKD-ZJUUUORDSA-N 1 1 323.315 -0.014 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000378309789 138198320 /nfs/dbraw/zinc/19/83/20/138198320.db2.gz BRURJZSJYLJVDX-LSDHHAIUSA-N 1 1 319.409 -0.500 10 0 DBAEMO O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000407990130 138201234 /nfs/dbraw/zinc/20/12/34/138201234.db2.gz ZRKFUVKSKVMKRB-QWHCGFSZSA-N 1 1 306.410 -0.306 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000408032199 138203905 /nfs/dbraw/zinc/20/39/05/138203905.db2.gz SSSLJANQRKBUPQ-HUUCEWRRSA-N 1 1 318.425 -0.093 10 0 DBAEMO Cn1cc([C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)cn1 ZINC000408032965 138204072 /nfs/dbraw/zinc/20/40/72/138204072.db2.gz FTKRSLPJXQUBMG-LSDHHAIUSA-N 1 1 319.409 -0.290 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)[N@@H+](C)C1 ZINC000408035628 138204225 /nfs/dbraw/zinc/20/42/25/138204225.db2.gz NDKJZGYIQZFQIG-STQMWFEESA-N 1 1 323.397 -0.259 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(O)(C(F)F)CC2)C1 ZINC000408367278 138215976 /nfs/dbraw/zinc/21/59/76/138215976.db2.gz UPCAGXMVBNJCQU-JTQLQIEISA-N 1 1 319.352 -0.198 10 0 DBAEMO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000408043997 138204822 /nfs/dbraw/zinc/20/48/22/138204822.db2.gz LVAUKGBPIHWXHR-SRVKXCTJSA-N 1 1 319.427 -0.754 10 0 DBAEMO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000408043997 138204823 /nfs/dbraw/zinc/20/48/23/138204823.db2.gz LVAUKGBPIHWXHR-SRVKXCTJSA-N 1 1 319.427 -0.754 10 0 DBAEMO C[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000408113208 138207660 /nfs/dbraw/zinc/20/76/60/138207660.db2.gz QXIAGEZVHBQFOQ-BMIGLBTASA-N 1 1 308.382 -0.131 10 0 DBAEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000408113208 138207662 /nfs/dbraw/zinc/20/76/62/138207662.db2.gz QXIAGEZVHBQFOQ-BMIGLBTASA-N 1 1 308.382 -0.131 10 0 DBAEMO O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000408121649 138207695 /nfs/dbraw/zinc/20/76/95/138207695.db2.gz PIRYBXFZNCTTCD-CHWSQXEVSA-N 1 1 310.398 -0.371 10 0 DBAEMO C[C@H]1C[C@H](C(=O)N2CCN(c3[nH+]ccn3C)CC2)CC(=O)N1 ZINC000408203130 138210945 /nfs/dbraw/zinc/21/09/45/138210945.db2.gz PFVIFPHCMFFAIQ-RYUDHWBXSA-N 1 1 305.382 -0.017 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(c2nc3c(cnn3C)c(=O)[nH]2)C[C@@H]1C ZINC000408239880 138211931 /nfs/dbraw/zinc/21/19/31/138211931.db2.gz GAUPJHCRJMAHOI-VHSXEESVSA-N 1 1 306.370 -0.040 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(c2nc3c(cnn3C)c(=O)[nH]2)C[C@@H]1C ZINC000408239879 138212139 /nfs/dbraw/zinc/21/21/39/138212139.db2.gz GAUPJHCRJMAHOI-UWVGGRQHSA-N 1 1 306.370 -0.040 10 0 DBAEMO Cc1noc([C@H]2C[C@H](O)CN2CC(=O)N2CC[NH+](C)CC2)n1 ZINC000408389622 138217212 /nfs/dbraw/zinc/21/72/12/138217212.db2.gz MNNDTGBICCMMLD-NWDGAFQWSA-N 1 1 309.370 -0.740 10 0 DBAEMO C[C@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)N1CCOCC1 ZINC000408408108 138217921 /nfs/dbraw/zinc/21/79/21/138217921.db2.gz XPQLAOQEHSTJQS-CYBMUJFWSA-N 1 1 307.398 -0.211 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC000408108820 296182551 /nfs/dbraw/zinc/18/25/51/296182551.db2.gz BTAPVELKHRZGGR-GHMZBOCLSA-N 1 1 321.443 -0.772 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C ZINC000408108820 296182553 /nfs/dbraw/zinc/18/25/53/296182553.db2.gz BTAPVELKHRZGGR-GHMZBOCLSA-N 1 1 321.443 -0.772 10 0 DBAEMO COc1cc(CNCCC[NH2+]CCO)ccc1OCC(N)=O ZINC000013732851 181886107 /nfs/dbraw/zinc/88/61/07/181886107.db2.gz SXFMRFSIDVFMJZ-UHFFFAOYSA-N 1 1 311.382 -0.379 10 0 DBAEMO O[C@@H]1[C@H]2[C@]34CCC[N@@H+]3C[C@@]2(O)c2cc3c(cc2[C@@H]4[C@@H]1O)OCO3 ZINC000014922201 374370140 /nfs/dbraw/zinc/37/01/40/374370140.db2.gz HZSAQOVOGNCGNL-UTQGOSHXSA-N 1 1 317.341 -0.100 10 0 biogenic DBAEMO COCCn1cc(C[N@H+](C)CC(=O)N2CCOCC2)ccc1=O ZINC000097944855 374640651 /nfs/dbraw/zinc/64/06/51/374640651.db2.gz MDKRLQCUVWXHSN-UHFFFAOYSA-N 1 1 323.393 -0.215 10 0 DBAEMO COCCn1cc(C[N@@H+](C)CC(=O)N2CCOCC2)ccc1=O ZINC000097944855 374640665 /nfs/dbraw/zinc/64/06/65/374640665.db2.gz MDKRLQCUVWXHSN-UHFFFAOYSA-N 1 1 323.393 -0.215 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000088772526 374625999 /nfs/dbraw/zinc/62/59/99/374625999.db2.gz SXJUMRUZMZAVNL-LLVKDONJSA-N 1 1 307.416 -0.390 10 0 DBAEMO [NH3+][C@@H]1CCN(c2nc[nH]c(=O)c2I)C1 ZINC000166026263 374866761 /nfs/dbraw/zinc/86/67/61/374866761.db2.gz OPQAGJDOLAREDP-RXMQYKEDSA-N 1 1 306.107 -0.088 10 0 DBAEMO C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000107303927 374918943 /nfs/dbraw/zinc/91/89/43/374918943.db2.gz PZCJVEARSXVJKS-GFCCVEGCSA-N 1 1 313.427 -0.074 10 0 DBAEMO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000111229521 374943408 /nfs/dbraw/zinc/94/34/08/374943408.db2.gz FFEGDFXJNSJOCL-GFCCVEGCSA-N 1 1 309.370 -0.064 10 0 DBAEMO CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000111229521 374943410 /nfs/dbraw/zinc/94/34/10/374943410.db2.gz FFEGDFXJNSJOCL-GFCCVEGCSA-N 1 1 309.370 -0.064 10 0 DBAEMO CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798103 374908561 /nfs/dbraw/zinc/90/85/61/374908561.db2.gz BYJHVQWTSYVKOT-UHFFFAOYSA-N 1 1 306.370 -0.166 10 0 DBAEMO CCNC(=O)NC(=O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798103 374908566 /nfs/dbraw/zinc/90/85/66/374908566.db2.gz BYJHVQWTSYVKOT-UHFFFAOYSA-N 1 1 306.370 -0.166 10 0 DBAEMO O=C(C[NH+]1CCC(Nc2cccnn2)CC1)N1CCNC1=O ZINC000105804788 374909552 /nfs/dbraw/zinc/90/95/52/374909552.db2.gz WJJPYVQXEMMJNM-UHFFFAOYSA-N 1 1 304.354 -0.095 10 0 DBAEMO C[N@@H+](CCC(=O)NC(N)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000105902145 374912166 /nfs/dbraw/zinc/91/21/66/374912166.db2.gz JGXPUMCADRYABN-NSHDSACASA-N 1 1 306.370 -0.038 10 0 DBAEMO CC[N@@H+]1CCc2nnc([C@@H]3CCN(C(=O)CCO)C3)n2CC1 ZINC000257189416 374978531 /nfs/dbraw/zinc/97/85/31/374978531.db2.gz IPUGVBBDTOKXCE-GFCCVEGCSA-N 1 1 307.398 -0.146 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000116317888 374984655 /nfs/dbraw/zinc/98/46/55/374984655.db2.gz YXTMOOUEKRSKBK-AWEZNQCLSA-N 1 1 319.409 -0.100 10 0 DBAEMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408473033 375014003 /nfs/dbraw/zinc/01/40/03/375014003.db2.gz YIFOHKSCLFANSN-KBPBESRZSA-N 1 1 310.442 -0.018 10 0 DBAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000119346379 375019436 /nfs/dbraw/zinc/01/94/36/375019436.db2.gz FPHGBIQUGDXIJO-SECBINFHSA-N 1 1 309.370 -0.504 10 0 DBAEMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000332723434 375405258 /nfs/dbraw/zinc/40/52/58/375405258.db2.gz PDRVLNZNQWKGAH-STQMWFEESA-N 1 1 323.441 -0.267 10 0 DBAEMO CNC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1c1cnn(C)c1 ZINC000332776173 375410275 /nfs/dbraw/zinc/41/02/75/375410275.db2.gz TXNKCOATHBTNEX-GDLCADMTSA-N 1 1 319.409 -0.151 10 0 DBAEMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)CC2 ZINC000332836404 375414061 /nfs/dbraw/zinc/41/40/61/375414061.db2.gz KQSPAJUWGDGZAH-STQMWFEESA-N 1 1 320.441 -0.093 10 0 DBAEMO Cn1cc(CN2CCC[N@@H+](CCCC(=O)NC(N)=O)CC2)cn1 ZINC000171596035 375474921 /nfs/dbraw/zinc/47/49/21/375474921.db2.gz OLXXKCPVKCOTFY-UHFFFAOYSA-N 1 1 322.413 -0.097 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000175047857 375494656 /nfs/dbraw/zinc/49/46/56/375494656.db2.gz FUTOVPSULHPEBF-QWHCGFSZSA-N 1 1 320.393 -0.368 10 0 DBAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CN1CC(=O)NC1=O ZINC000177222097 375506764 /nfs/dbraw/zinc/50/67/64/375506764.db2.gz GSJVKEKWGVMMMN-NSHDSACASA-N 1 1 305.338 -0.266 10 0 DBAEMO O=S(=O)(NCC[N@H+]1C[C@H](O)C[C@@H]1CO)c1ccccc1 ZINC000179184650 375517065 /nfs/dbraw/zinc/51/70/65/375517065.db2.gz XUEJNEQTOYLCLP-VXGBXAGGSA-N 1 1 300.380 -0.608 10 0 DBAEMO O=S(=O)(NCC[N@@H+]1C[C@H](O)C[C@@H]1CO)c1ccccc1 ZINC000179184650 375517071 /nfs/dbraw/zinc/51/70/71/375517071.db2.gz XUEJNEQTOYLCLP-VXGBXAGGSA-N 1 1 300.380 -0.608 10 0 DBAEMO COCC[N@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000179510317 375521153 /nfs/dbraw/zinc/52/11/53/375521153.db2.gz QIGUPEGDFLIKPN-GFCCVEGCSA-N 1 1 310.398 -0.764 10 0 DBAEMO COCCN1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000179510317 375521155 /nfs/dbraw/zinc/52/11/55/375521155.db2.gz QIGUPEGDFLIKPN-GFCCVEGCSA-N 1 1 310.398 -0.764 10 0 DBAEMO COCCN1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000179510317 375521158 /nfs/dbraw/zinc/52/11/58/375521158.db2.gz QIGUPEGDFLIKPN-GFCCVEGCSA-N 1 1 310.398 -0.764 10 0 DBAEMO CC[C@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C[C@@H](C)O ZINC000179508798 375522032 /nfs/dbraw/zinc/52/20/32/375522032.db2.gz NBPIGKSADPNTLU-OCCSQVGLSA-N 1 1 324.425 -0.639 10 0 DBAEMO CC[C@@H]1CN(CCNS(=O)(=O)CC)CC[N@H+]1C[C@@H](C)O ZINC000109328832 375615149 /nfs/dbraw/zinc/61/51/49/375615149.db2.gz XGPWLJFAGRMQNS-CHWSQXEVSA-N 1 1 307.460 -0.297 10 0 DBAEMO C[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)C[NH+]1CCOCC1 ZINC000159149717 376111808 /nfs/dbraw/zinc/11/18/08/376111808.db2.gz APPLJIMMHAMITJ-KBPBESRZSA-N 1 1 314.430 -0.416 10 0 DBAEMO NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCCC1=O ZINC000112411020 376912079 /nfs/dbraw/zinc/91/20/79/376912079.db2.gz OWEIZXPNJFSLAC-CQSZACIVSA-N 1 1 305.378 -0.043 10 0 DBAEMO NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCCC1=O ZINC000112411020 376912088 /nfs/dbraw/zinc/91/20/88/376912088.db2.gz OWEIZXPNJFSLAC-CQSZACIVSA-N 1 1 305.378 -0.043 10 0 DBAEMO C[N@@H+](CCOCCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000282629043 376927094 /nfs/dbraw/zinc/92/70/94/376927094.db2.gz YMWRMMGPTZOAFK-LBPRGKRZSA-N 1 1 322.361 -0.416 10 0 DBAEMO C[N@H+]1CCO[C@@H]2CCN(c3ncc(S(N)(=O)=O)s3)C[C@H]21 ZINC000328934894 378193443 /nfs/dbraw/zinc/19/34/43/378193443.db2.gz FJLOLSGQYOEUMM-RKDXNWHRSA-N 1 1 318.424 -0.300 10 0 DBAEMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000312526826 378567410 /nfs/dbraw/zinc/56/74/10/378567410.db2.gz FIVAYDINVBQDTO-FRRDWIJNSA-N 1 1 303.428 -0.527 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000312526826 378567415 /nfs/dbraw/zinc/56/74/15/378567415.db2.gz FIVAYDINVBQDTO-FRRDWIJNSA-N 1 1 303.428 -0.527 10 0 DBAEMO Cc1noc([C@H](C)N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)n1 ZINC000168103048 378593514 /nfs/dbraw/zinc/59/35/14/378593514.db2.gz AIHAPINAXZJJEG-JQWIXIFHSA-N 1 1 309.370 -0.428 10 0 DBAEMO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000357313633 378936859 /nfs/dbraw/zinc/93/68/59/378936859.db2.gz WPRWDDHPSCPJMN-FRRDWIJNSA-N 1 1 309.366 -0.020 10 0 DBAEMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NN2CCOCC2)CC1=O ZINC000114876860 379290891 /nfs/dbraw/zinc/29/08/91/379290891.db2.gz DCVPTMYLIMQJMI-ZIAGYGMSSA-N 1 1 324.425 -0.317 10 0 DBAEMO CC[C@@H]1CN(C(=O)NCC(=O)N(C)C)CC[N@H+]1CCOC ZINC000117471297 379562946 /nfs/dbraw/zinc/56/29/46/379562946.db2.gz SVPPMRJDBNFWFD-GFCCVEGCSA-N 1 1 300.403 -0.173 10 0 DBAEMO CC[C@@H]1CN(CC(=O)N2CCN(C)CC2)CC[N@H+]1CCOC ZINC000121000352 379629899 /nfs/dbraw/zinc/62/98/99/379629899.db2.gz ONXIBTVCIFPGRQ-OAHLLOKOSA-N 1 1 312.458 -0.197 10 0 DBAEMO CN(CC(=O)N1CCOCC1)C(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171643137 379695030 /nfs/dbraw/zinc/69/50/30/379695030.db2.gz PUVFPAGHICWHRQ-CQSZACIVSA-N 1 1 324.425 -0.916 10 0 DBAEMO CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000172605159 379700474 /nfs/dbraw/zinc/70/04/74/379700474.db2.gz YURPRSHAKSIHEJ-CYBMUJFWSA-N 1 1 322.413 -0.043 10 0 DBAEMO C[C@H](NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(=O)N(C)C ZINC000175682115 379714637 /nfs/dbraw/zinc/71/46/37/379714637.db2.gz MBPVACDHYGRVQX-RWMBFGLXSA-N 1 1 312.414 -0.175 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)CNC(C)=O ZINC000175031022 379715230 /nfs/dbraw/zinc/71/52/30/379715230.db2.gz RNUXQLQKXVUXHI-CHWSQXEVSA-N 1 1 310.398 -0.676 10 0 DBAEMO C[C@H]1CN(C(=O)NCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175686984 379717058 /nfs/dbraw/zinc/71/70/58/379717058.db2.gz LZWZWULYRZFLLR-QWHCGFSZSA-N 1 1 312.414 -0.173 10 0 DBAEMO C[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000177260333 379726348 /nfs/dbraw/zinc/72/63/48/379726348.db2.gz GAPGBKLKLVHDEP-GJZGRUSLSA-N 1 1 311.426 -0.112 10 0 DBAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[S@](C)=O)CC1 ZINC000179679167 379741173 /nfs/dbraw/zinc/74/11/73/379741173.db2.gz HFFWFYWYDOQOLP-GTJPDFRWSA-N 1 1 315.439 -0.480 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000181799949 379749113 /nfs/dbraw/zinc/74/91/13/379749113.db2.gz JVNFZMLPQPWQSX-QWHCGFSZSA-N 1 1 322.413 -0.309 10 0 DBAEMO COCc1ccc(CNC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185145964 379757932 /nfs/dbraw/zinc/75/79/32/379757932.db2.gz KOMAQWPTDAAABX-CABCVRRESA-N 1 1 308.378 -0.123 10 0 DBAEMO COCc1ccc(CNC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185145964 379757938 /nfs/dbraw/zinc/75/79/38/379757938.db2.gz KOMAQWPTDAAABX-CABCVRRESA-N 1 1 308.378 -0.123 10 0 DBAEMO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185188039 379760884 /nfs/dbraw/zinc/76/08/84/379760884.db2.gz YVUBWXFMDQEVTN-KGLIPLIRSA-N 1 1 308.378 -0.219 10 0 DBAEMO COc1ccccc1CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185188039 379760886 /nfs/dbraw/zinc/76/08/86/379760886.db2.gz YVUBWXFMDQEVTN-KGLIPLIRSA-N 1 1 308.378 -0.219 10 0 DBAEMO C[C@H](CNC(=O)N1CCCN(C)C(=O)C1)C[NH+]1CCOCC1 ZINC000188297121 379772407 /nfs/dbraw/zinc/77/24/07/379772407.db2.gz IGGHFQGIVFPYMZ-CYBMUJFWSA-N 1 1 312.414 -0.172 10 0 DBAEMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000133105603 379913685 /nfs/dbraw/zinc/91/36/85/379913685.db2.gz QEVGCNASLGCFMR-CYBMUJFWSA-N 1 1 305.444 -0.278 10 0 DBAEMO O=C(CN1CCCS1(=O)=O)N1CCC[N@H+](C2CC2)CC1 ZINC000061604339 379926724 /nfs/dbraw/zinc/92/67/24/379926724.db2.gz JNBKYDDVGHHGIL-UHFFFAOYSA-N 1 1 301.412 -0.281 10 0 DBAEMO COCC[NH+]1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000105282811 379873586 /nfs/dbraw/zinc/87/35/86/379873586.db2.gz IUMHJZPNTAOIAC-ZDUSSCGKSA-N 1 1 300.403 -0.709 10 0 DBAEMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000109329287 379876874 /nfs/dbraw/zinc/87/68/74/379876874.db2.gz QWVPZPVUAOGCBK-GFCCVEGCSA-N 1 1 301.416 -0.071 10 0 DBAEMO Cn1cc(C[N@H+]2CCCN(CCNS(C)(=O)=O)CC2)cn1 ZINC000107304193 379877028 /nfs/dbraw/zinc/87/70/28/379877028.db2.gz VMMXLELIKQTKML-UHFFFAOYSA-N 1 1 315.443 -0.523 10 0 DBAEMO CC(=O)NCCNC(=O)CCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000111563150 379879158 /nfs/dbraw/zinc/87/91/58/379879158.db2.gz QGUUNLMJFTYJKX-CQSZACIVSA-N 1 1 324.425 -0.284 10 0 DBAEMO O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCc2ncnn2C1 ZINC000112739488 379879707 /nfs/dbraw/zinc/87/97/07/379879707.db2.gz MWTKVCVGSXQAIH-GFCCVEGCSA-N 1 1 308.386 -0.386 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)no1 ZINC000246782216 380098857 /nfs/dbraw/zinc/09/88/57/380098857.db2.gz PZNMFESBQUKNIJ-UWVGGRQHSA-N 1 1 310.354 -0.165 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)no1 ZINC000246782216 380098865 /nfs/dbraw/zinc/09/88/65/380098865.db2.gz PZNMFESBQUKNIJ-UWVGGRQHSA-N 1 1 310.354 -0.165 10 0 DBAEMO CC[N@H+](C[C@@H](O)CN1CCCC1=O)[C@H](C)CS(C)(=O)=O ZINC000246734318 380100193 /nfs/dbraw/zinc/10/01/93/380100193.db2.gz LOFBAEQZUHXFAK-VXGBXAGGSA-N 1 1 306.428 -0.275 10 0 DBAEMO CC[N@@H+](C[C@@H](O)CN1CCCC1=O)[C@H](C)CS(C)(=O)=O ZINC000246734318 380100200 /nfs/dbraw/zinc/10/02/00/380100200.db2.gz LOFBAEQZUHXFAK-VXGBXAGGSA-N 1 1 306.428 -0.275 10 0 DBAEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC000247102118 380101215 /nfs/dbraw/zinc/10/12/15/380101215.db2.gz IGZHBDVLJVSXQT-VXGBXAGGSA-N 1 1 300.403 -0.127 10 0 DBAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC000247102118 380101222 /nfs/dbraw/zinc/10/12/22/380101222.db2.gz IGZHBDVLJVSXQT-VXGBXAGGSA-N 1 1 300.403 -0.127 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@@H+]1C[C@H](C)O ZINC000248556256 380110165 /nfs/dbraw/zinc/11/01/65/380110165.db2.gz BKLBCOSQWSHLBO-WDEREUQCSA-N 1 1 310.354 -0.083 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@H+]1C[C@H](C)O ZINC000248556256 380110169 /nfs/dbraw/zinc/11/01/69/380110169.db2.gz BKLBCOSQWSHLBO-WDEREUQCSA-N 1 1 310.354 -0.083 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@@H+]1C[C@H](C)O ZINC000248556252 380110344 /nfs/dbraw/zinc/11/03/44/380110344.db2.gz BKLBCOSQWSHLBO-QWRGUYRKSA-N 1 1 310.354 -0.083 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccon2)CC[N@H+]1C[C@H](C)O ZINC000248556252 380110348 /nfs/dbraw/zinc/11/03/48/380110348.db2.gz BKLBCOSQWSHLBO-QWRGUYRKSA-N 1 1 310.354 -0.083 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC(=O)N(C)C ZINC000249176602 380114299 /nfs/dbraw/zinc/11/42/99/380114299.db2.gz MFTQLUWDQDVDIQ-NEPJUHHUSA-N 1 1 310.398 -0.724 10 0 DBAEMO CN1CCN(C(=O)C[N@@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000093172345 380463556 /nfs/dbraw/zinc/46/35/56/380463556.db2.gz ZKZILYGTNVROPL-UHFFFAOYSA-N 1 1 318.425 -0.237 10 0 DBAEMO CN1CCN(C(=O)C[N@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000093172345 380463562 /nfs/dbraw/zinc/46/35/62/380463562.db2.gz ZKZILYGTNVROPL-UHFFFAOYSA-N 1 1 318.425 -0.237 10 0 DBAEMO CO[C@H]1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)N(S(C)(=O)=O)C1 ZINC000370499597 380569815 /nfs/dbraw/zinc/56/98/15/380569815.db2.gz NFHSQDXFYPPRJJ-GRYCIOLGSA-N 1 1 319.427 -0.897 10 0 DBAEMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249832343 380933108 /nfs/dbraw/zinc/93/31/08/380933108.db2.gz OUHNEEMCTWSZGJ-NWDGAFQWSA-N 1 1 301.412 -0.283 10 0 DBAEMO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000386473513 381024682 /nfs/dbraw/zinc/02/46/82/381024682.db2.gz VUMFJQLFRJOVRC-GJZGRUSLSA-N 1 1 311.426 -0.066 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCN(CCOC)C(=O)C2)C1 ZINC000129171071 381370594 /nfs/dbraw/zinc/37/05/94/381370594.db2.gz XAVCVTBVXBGWJU-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO CCS(=O)(=O)NCCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000245509464 381563660 /nfs/dbraw/zinc/56/36/60/381563660.db2.gz KHHQFLVJKAJGTF-QWHCGFSZSA-N 1 1 307.460 -0.297 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCCN2CCCS2(=O)=O)C1 ZINC000142575203 381600895 /nfs/dbraw/zinc/60/08/95/381600895.db2.gz YHVLXTCEXNJRLD-GFCCVEGCSA-N 1 1 318.443 -0.195 10 0 DBAEMO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)CC[N@H+]1C[C@H](C)O ZINC000248484676 381597667 /nfs/dbraw/zinc/59/76/67/381597667.db2.gz KEEVWYKSCAQLSX-YNEHKIRRSA-N 1 1 312.414 -0.296 10 0 DBAEMO CC[C@@H]1CN(C(=O)NCc2ncn(C)n2)CC[N@H+]1C[C@H](C)O ZINC000253028470 381615739 /nfs/dbraw/zinc/61/57/39/381615739.db2.gz HVHBYNAJAJHVEQ-NWDGAFQWSA-N 1 1 310.402 -0.198 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C[C@H]1C ZINC000158364709 381738835 /nfs/dbraw/zinc/73/88/35/381738835.db2.gz OXRLDUBNEUNULQ-GHMZBOCLSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C[C@H]1C ZINC000158364709 381738843 /nfs/dbraw/zinc/73/88/43/381738843.db2.gz OXRLDUBNEUNULQ-GHMZBOCLSA-N 1 1 309.370 -0.728 10 0 DBAEMO CCN1CCN(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C(=O)C1=O ZINC000159067334 381757739 /nfs/dbraw/zinc/75/77/39/381757739.db2.gz KYAVBBVFXRUWCR-QWHCGFSZSA-N 1 1 324.425 -0.478 10 0 DBAEMO CC[C@@H]1CN(C(=O)NCc2ncn(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000182135585 382076935 /nfs/dbraw/zinc/07/69/35/382076935.db2.gz HVHBYNAJAJHVEQ-VXGBXAGGSA-N 1 1 310.402 -0.198 10 0 DBAEMO Cn1cc(CN2CCC[N@@H+](CCN3C(=O)CNC3=O)CC2)cn1 ZINC000105869782 382349645 /nfs/dbraw/zinc/34/96/45/382349645.db2.gz RGLZXZWWYDYALV-UHFFFAOYSA-N 1 1 320.397 -0.520 10 0 DBAEMO Cn1cc(C[N@@H+]2CCCN(CCN3C(=O)CNC3=O)CC2)cn1 ZINC000105869782 382349652 /nfs/dbraw/zinc/34/96/52/382349652.db2.gz RGLZXZWWYDYALV-UHFFFAOYSA-N 1 1 320.397 -0.520 10 0 DBAEMO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404151120 382404561 /nfs/dbraw/zinc/40/45/61/382404561.db2.gz MMBTWTQZKLCCFL-GHMZBOCLSA-N 1 1 300.384 -0.222 10 0 DBAEMO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641544 382658495 /nfs/dbraw/zinc/65/84/95/382658495.db2.gz NWUOIHKVVMWAGN-JHJVBQTASA-N 1 1 315.439 -0.542 10 0 DBAEMO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171641544 382658496 /nfs/dbraw/zinc/65/84/96/382658496.db2.gz NWUOIHKVVMWAGN-JHJVBQTASA-N 1 1 315.439 -0.542 10 0 DBAEMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173948748 382694076 /nfs/dbraw/zinc/69/40/76/382694076.db2.gz UMOHWMHXFHUGDZ-HNNXBMFYSA-N 1 1 321.425 -0.215 10 0 DBAEMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173948748 382694078 /nfs/dbraw/zinc/69/40/78/382694078.db2.gz UMOHWMHXFHUGDZ-HNNXBMFYSA-N 1 1 321.425 -0.215 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246356201 382695155 /nfs/dbraw/zinc/69/51/55/382695155.db2.gz GQASHXYSVGALCE-VXGBXAGGSA-N 1 1 318.443 -0.196 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CC1 ZINC000246502114 382695256 /nfs/dbraw/zinc/69/52/56/382695256.db2.gz OGIUWAXANFWGOJ-JHJVBQTASA-N 1 1 312.414 -0.886 10 0 DBAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000188152803 285021341 /nfs/dbraw/zinc/02/13/41/285021341.db2.gz VAKAQPTUNZJYJF-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO CNC(=O)C[N@H+]1CC[C@H]2CN(c3cc(OC)ncn3)C[C@H]2C1 ZINC000247949374 257113530 /nfs/dbraw/zinc/11/35/30/257113530.db2.gz LEVCTZNKGIXJSN-NWDGAFQWSA-N 1 1 305.382 -0.011 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000177615768 391936380 /nfs/dbraw/zinc/93/63/80/391936380.db2.gz XOZXANAOYUHPNH-VXGBXAGGSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000177615768 391936387 /nfs/dbraw/zinc/93/63/87/391936387.db2.gz XOZXANAOYUHPNH-VXGBXAGGSA-N 1 1 323.397 -0.338 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000173926146 391908020 /nfs/dbraw/zinc/90/80/20/391908020.db2.gz SQUIDLHTLFPUSK-KGLIPLIRSA-N 1 1 324.425 -0.883 10 0 DBAEMO COCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000175008857 391930789 /nfs/dbraw/zinc/93/07/89/391930789.db2.gz XHZFIAYURXOAKH-CQSZACIVSA-N 1 1 316.446 -0.025 10 0 DBAEMO Cn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000285036517 131132507 /nfs/dbraw/zinc/13/25/07/131132507.db2.gz NAUIOZAXFGOAGM-NWDGAFQWSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000285036517 131132509 /nfs/dbraw/zinc/13/25/09/131132509.db2.gz NAUIOZAXFGOAGM-NWDGAFQWSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)n(C)n1 ZINC000285715383 131195667 /nfs/dbraw/zinc/19/56/67/131195667.db2.gz CFPBQXHPUGBEOD-XHDPSFHLSA-N 1 1 321.381 -0.854 10 0 DBAEMO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)n(C)n1 ZINC000285715383 131195668 /nfs/dbraw/zinc/19/56/68/131195668.db2.gz CFPBQXHPUGBEOD-XHDPSFHLSA-N 1 1 321.381 -0.854 10 0 DBAEMO Cn1cc([C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C(N)=O)cn1 ZINC000286256703 131226467 /nfs/dbraw/zinc/22/64/67/131226467.db2.gz FIRMMQLYRCCQTM-AGIUHOORSA-N 1 1 305.382 -0.458 10 0 DBAEMO Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)cn1 ZINC000286346996 131232078 /nfs/dbraw/zinc/23/20/78/131232078.db2.gz XJKHAWOEZRXYRX-WFASDCNBSA-N 1 1 321.381 -0.772 10 0 DBAEMO Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)cn1 ZINC000286346996 131232080 /nfs/dbraw/zinc/23/20/80/131232080.db2.gz XJKHAWOEZRXYRX-WFASDCNBSA-N 1 1 321.381 -0.772 10 0 DBAEMO C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363478987 392490623 /nfs/dbraw/zinc/49/06/23/392490623.db2.gz FANHWKVTEJFFEP-AWEZNQCLSA-N 1 1 323.441 -0.362 10 0 DBAEMO CN(CCN1C(=O)CNC1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363478987 392490628 /nfs/dbraw/zinc/49/06/28/392490628.db2.gz FANHWKVTEJFFEP-AWEZNQCLSA-N 1 1 323.441 -0.362 10 0 DBAEMO CN(CCN1C(=O)CNC1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363478987 392490634 /nfs/dbraw/zinc/49/06/34/392490634.db2.gz FANHWKVTEJFFEP-AWEZNQCLSA-N 1 1 323.441 -0.362 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC000106396705 392504207 /nfs/dbraw/zinc/50/42/07/392504207.db2.gz GRNLZLFWYRQXSG-NSHDSACASA-N 1 1 310.354 -0.163 10 0 DBAEMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000407951688 392664004 /nfs/dbraw/zinc/66/40/04/392664004.db2.gz SEXPLRYOICVDEM-ZDUSSCGKSA-N 1 1 305.444 -0.326 10 0 DBAEMO Cn1ncc2c1nc(N1CC[C@H]3OCC[N@@H+](C)[C@@H]3C1)[nH]c2=O ZINC000328933225 393031786 /nfs/dbraw/zinc/03/17/86/393031786.db2.gz DTJYSIDKCYFCOT-GHMZBOCLSA-N 1 1 304.354 -0.022 10 0 DBAEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000334106797 393376168 /nfs/dbraw/zinc/37/61/68/393376168.db2.gz YPAVWDBBODFPDZ-OLZOCXBDSA-N 1 1 324.425 -0.104 10 0 DBAEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000334106797 393376170 /nfs/dbraw/zinc/37/61/70/393376170.db2.gz YPAVWDBBODFPDZ-OLZOCXBDSA-N 1 1 324.425 -0.104 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C(=O)N(C)CC)CC1 ZINC000187877867 393493004 /nfs/dbraw/zinc/49/30/04/393493004.db2.gz RQWLVHZOIYBDJW-CHWSQXEVSA-N 1 1 314.430 -0.049 10 0 DBAEMO C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1N1CCOCC1 ZINC000246309583 393593451 /nfs/dbraw/zinc/59/34/51/393593451.db2.gz CJXHQNYBWLBIMX-CHWSQXEVSA-N 1 1 324.425 -0.031 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC000248613723 393594316 /nfs/dbraw/zinc/59/43/16/393594316.db2.gz LLQRLYVKWJVNCP-WOPDTQHZSA-N 1 1 300.403 -0.440 10 0 DBAEMO CN(C)C(=O)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152587236 393784668 /nfs/dbraw/zinc/78/46/68/393784668.db2.gz NOPAIIPQCFFEAV-LBPRGKRZSA-N 1 1 310.398 -0.770 10 0 DBAEMO CCOCC[N@H+]1CCN(CCNS(C)(=O)=O)C[C@H]1CC ZINC000107304053 286089126 /nfs/dbraw/zinc/08/91/26/286089126.db2.gz AEIGUSCYNDYROD-CYBMUJFWSA-N 1 1 307.460 -0.032 10 0 DBAEMO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000249021396 287180132 /nfs/dbraw/zinc/18/01/32/287180132.db2.gz KDKWDVAYSLFPPN-VXGBXAGGSA-N 1 1 303.428 -0.132 10 0 DBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000249021396 287180135 /nfs/dbraw/zinc/18/01/35/287180135.db2.gz KDKWDVAYSLFPPN-VXGBXAGGSA-N 1 1 303.428 -0.132 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNS(C)(=O)=O ZINC000246454145 287226669 /nfs/dbraw/zinc/22/66/69/287226669.db2.gz USFFQRRZKMMJGO-NEPJUHHUSA-N 1 1 318.443 -0.196 10 0 DBAEMO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000365108059 412289193 /nfs/dbraw/zinc/28/91/93/412289193.db2.gz AZGCOQUUDNWPGN-ZIAGYGMSSA-N 1 1 320.393 0.290 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000111686473 544418848 /nfs/dbraw/zinc/41/88/48/544418848.db2.gz OEUUGWWHGOGJMM-CYBMUJFWSA-N 1 1 305.382 -0.418 10 0 DBAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000329080622 544467612 /nfs/dbraw/zinc/46/76/12/544467612.db2.gz CRODRJTXPYVRBD-STQMWFEESA-N 1 1 317.455 -0.485 10 0 DBAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)CCN1CCCS1(=O)=O ZINC000329083886 544467747 /nfs/dbraw/zinc/46/77/47/544467747.db2.gz FKKJCNSVOVYRMH-LBPRGKRZSA-N 1 1 303.428 -0.178 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NC[C@H]2COCCO2)C[C@H]1C ZINC000332885169 544548344 /nfs/dbraw/zinc/54/83/44/544548344.db2.gz JAUBOJJYQPARGW-OLZOCXBDSA-N 1 1 301.387 -0.236 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NC[C@H]2COCCO2)C[C@H]1C ZINC000332885169 544548347 /nfs/dbraw/zinc/54/83/47/544548347.db2.gz JAUBOJJYQPARGW-OLZOCXBDSA-N 1 1 301.387 -0.236 10 0 DBAEMO C[C@H](NC(=O)[C@H]1COCC[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000088358407 544583993 /nfs/dbraw/zinc/58/39/93/544583993.db2.gz NMWSDDDKQLTEGQ-JOYOIKCWSA-N 1 1 313.379 -0.500 10 0 DBAEMO C[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000088358406 544584024 /nfs/dbraw/zinc/58/40/24/544584024.db2.gz NMWSDDDKQLTEGQ-SKDRFNHKSA-N 1 1 313.379 -0.500 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3ncc(F)cn3)CC2)[N@@H+](C)C1 ZINC000408046023 274081944 /nfs/dbraw/zinc/08/19/44/274081944.db2.gz JPIPZMROSPEFEO-STQMWFEESA-N 1 1 323.372 -0.017 10 0 DBAEMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000333151168 277076723 /nfs/dbraw/zinc/07/67/23/277076723.db2.gz LTBWQMMRFUOSOG-RYUDHWBXSA-N 1 1 305.382 -0.051 10 0 DBAEMO CC(=O)N1CSC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181369453 278065576 /nfs/dbraw/zinc/06/55/76/278065576.db2.gz ZULHGWFGZPWWAB-OLZOCXBDSA-N 1 1 323.422 -0.186 10 0 DBAEMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000120641378 278127720 /nfs/dbraw/zinc/12/77/20/278127720.db2.gz MHNIYBTUPSRYIK-AAEUAGOBSA-N 1 1 310.398 -0.724 10 0 DBAEMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000120641074 278127839 /nfs/dbraw/zinc/12/78/39/278127839.db2.gz MHNIYBTUPSRYIK-WCQYABFASA-N 1 1 310.398 -0.724 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)CNC(C)=O ZINC000247012960 281196786 /nfs/dbraw/zinc/19/67/86/281196786.db2.gz RNUXQLQKXVUXHI-STQMWFEESA-N 1 1 310.398 -0.676 10 0 DBAEMO Cn1ccnc1[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C ZINC000276801554 303007408 /nfs/dbraw/zinc/00/74/08/303007408.db2.gz WGSAJYKQPNQPCM-OLZOCXBDSA-N 1 1 307.398 -0.434 10 0 DBAEMO Cn1ccnc1[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C ZINC000276801554 303007409 /nfs/dbraw/zinc/00/74/09/303007409.db2.gz WGSAJYKQPNQPCM-OLZOCXBDSA-N 1 1 307.398 -0.434 10 0 DBAEMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NC(=O)CN(C)C ZINC000584604023 337371325 /nfs/dbraw/zinc/37/13/25/337371325.db2.gz FXEOPNXWQUWDGG-RYUDHWBXSA-N 1 1 312.414 -0.526 10 0 DBAEMO CN(CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1)S(C)(=O)=O ZINC000576389401 341843724 /nfs/dbraw/zinc/84/37/24/341843724.db2.gz OPADAAGGYKFGDO-GFCCVEGCSA-N 1 1 312.395 -0.554 10 0 DBAEMO CCOCC[N@H+]1CCN(CC(=O)NC(=O)NC)C[C@@H]1CC ZINC000105837540 519920650 /nfs/dbraw/zinc/92/06/50/519920650.db2.gz RVKCFVZDBWEVFB-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO CCOCC[N@H+]1CCN(Cc2nc(N)nc(N)n2)C[C@H]1CC ZINC000105837851 519922138 /nfs/dbraw/zinc/92/21/38/519922138.db2.gz NWHVIMCISUMTFS-LLVKDONJSA-N 1 1 309.418 -0.031 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105137328 521678387 /nfs/dbraw/zinc/67/83/87/521678387.db2.gz SUSIBSKMJQXLMH-LBPRGKRZSA-N 1 1 318.443 -0.195 10 0 DBAEMO CN(C)CC[NH+]1CCC(NC(=O)N2CCNC(=O)CC2)CC1 ZINC000105112168 521757790 /nfs/dbraw/zinc/75/77/90/521757790.db2.gz XBICBVFHHKNJJH-UHFFFAOYSA-N 1 1 311.430 -0.456 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2nocc2C)CC1 ZINC000189455190 522810388 /nfs/dbraw/zinc/81/03/88/522810388.db2.gz HBASVNAIYCZOSN-NSHDSACASA-N 1 1 310.354 -0.163 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246251588 523215596 /nfs/dbraw/zinc/21/55/96/523215596.db2.gz OBSBZUREMOOZLG-AAEUAGOBSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+]1C[C@H](C)O ZINC000246251588 523215605 /nfs/dbraw/zinc/21/56/05/523215605.db2.gz OBSBZUREMOOZLG-AAEUAGOBSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CCN1C[C@H](C)O ZINC000249002579 523246914 /nfs/dbraw/zinc/24/69/14/523246914.db2.gz QBGXPPIDUFJPRN-RYUDHWBXSA-N 1 1 321.425 -0.027 10 0 DBAEMO CC[C@H]1CN(C[C@H](O)CN2CCOCC2)CC[N@H+]1CCOC ZINC000105903069 523282431 /nfs/dbraw/zinc/28/24/31/523282431.db2.gz JJXRKOKVWLXRNW-JKSUJKDBSA-N 1 1 315.458 -0.278 10 0 DBAEMO CC[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1CCOC ZINC000105903069 523282444 /nfs/dbraw/zinc/28/24/44/523282444.db2.gz JJXRKOKVWLXRNW-JKSUJKDBSA-N 1 1 315.458 -0.278 10 0 DBAEMO CC[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCN1CCOC ZINC000105903069 523282454 /nfs/dbraw/zinc/28/24/54/523282454.db2.gz JJXRKOKVWLXRNW-JKSUJKDBSA-N 1 1 315.458 -0.278 10 0 DBAEMO CN1CCO[C@@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000105070231 523937988 /nfs/dbraw/zinc/93/79/88/523937988.db2.gz CTFBAFZZKMPHOY-ZDUSSCGKSA-N 1 1 300.403 -0.662 10 0 DBAEMO CNC(=O)NCC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000130155644 524078557 /nfs/dbraw/zinc/07/85/57/524078557.db2.gz FLGMXFUITLMWTI-AWEZNQCLSA-N 1 1 320.393 -0.207 10 0 DBAEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000103285605 524342206 /nfs/dbraw/zinc/34/22/06/524342206.db2.gz XGUAIHHMQDVALI-QWHCGFSZSA-N 1 1 324.425 -0.299 10 0 DBAEMO Cc1ccc(N2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2=O)o1 ZINC000364143802 524963849 /nfs/dbraw/zinc/96/38/49/524963849.db2.gz BLSPUSGVMRSVNL-CQSZACIVSA-N 1 1 323.393 -0.070 10 0 DBAEMO Cc1ccnc2nc(C(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)nn21 ZINC000266236586 525719336 /nfs/dbraw/zinc/71/93/36/525719336.db2.gz OWHXAFBRMXZDNH-RYUDHWBXSA-N 1 1 318.381 -0.040 10 0 DBAEMO Cc1ccnc2nc(C(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)nn21 ZINC000266236586 525719344 /nfs/dbraw/zinc/71/93/44/525719344.db2.gz OWHXAFBRMXZDNH-RYUDHWBXSA-N 1 1 318.381 -0.040 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)C1 ZINC000408395054 536441047 /nfs/dbraw/zinc/44/10/47/536441047.db2.gz LUCQUILWOCOFQC-RYUDHWBXSA-N 1 1 321.381 -0.815 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)C1 ZINC000408395054 536441049 /nfs/dbraw/zinc/44/10/49/536441049.db2.gz LUCQUILWOCOFQC-RYUDHWBXSA-N 1 1 321.381 -0.815 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C(N)=O)nc3)[C@H]2C1 ZINC000408044299 536469456 /nfs/dbraw/zinc/46/94/56/536469456.db2.gz UGGHOLQEHGLKEX-STQMWFEESA-N 1 1 304.350 -0.274 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000408026238 536127271 /nfs/dbraw/zinc/12/72/71/536127271.db2.gz CYUGGPDPLRWUPS-NWDGAFQWSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000408026238 536127275 /nfs/dbraw/zinc/12/72/75/536127275.db2.gz CYUGGPDPLRWUPS-NWDGAFQWSA-N 1 1 314.411 -0.003 10 0 DBAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](N)CC(N)=O ZINC000389912151 664169464 /nfs/dbraw/zinc/16/94/64/664169464.db2.gz JOGLJJCMUUXGOC-XBFCOCLRSA-N 1 1 304.394 -0.174 10 0 DBAEMO NC(=O)[C@H](F)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000913103267 674790689 /nfs/dbraw/zinc/79/06/89/674790689.db2.gz FHHQFQTVFJJKKK-RWMBFGLXSA-N 1 1 313.373 -0.088 10 0 DBAEMO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913183906 674793238 /nfs/dbraw/zinc/79/32/38/674793238.db2.gz LOIHKUCPODSTJO-YDHLFZDLSA-N 1 1 300.399 -0.095 10 0 DBAEMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184727983 677987090 /nfs/dbraw/zinc/98/70/90/677987090.db2.gz SFZOTQXOBUGCSH-FBIMIBRVSA-N 1 1 320.349 -0.389 10 0 DBAEMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184727983 677987096 /nfs/dbraw/zinc/98/70/96/677987096.db2.gz SFZOTQXOBUGCSH-FBIMIBRVSA-N 1 1 320.349 -0.389 10 0 DBAEMO Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)n1 ZINC000286203769 138097619 /nfs/dbraw/zinc/09/76/19/138097619.db2.gz OBPCKZFLNNQOQC-IAQYHMDHSA-N 1 1 321.381 -0.772 10 0 DBAEMO Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)n1 ZINC000286203769 138097620 /nfs/dbraw/zinc/09/76/20/138097620.db2.gz OBPCKZFLNNQOQC-IAQYHMDHSA-N 1 1 321.381 -0.772 10 0 DBAEMO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000407950286 138199895 /nfs/dbraw/zinc/19/98/95/138199895.db2.gz QVMKYNAUOLHOQI-ZDUSSCGKSA-N 1 1 305.444 -0.279 10 0 DBAEMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000407950286 138199896 /nfs/dbraw/zinc/19/98/96/138199896.db2.gz QVMKYNAUOLHOQI-ZDUSSCGKSA-N 1 1 305.444 -0.279 10 0 DBAEMO CCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408029315 138203418 /nfs/dbraw/zinc/20/34/18/138203418.db2.gz HUWXLLQLNPRCKG-KBPBESRZSA-N 1 1 308.426 -0.107 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408035360 138204172 /nfs/dbraw/zinc/20/41/72/138204172.db2.gz XLMIOZZCVYBUMG-BBRMVZONSA-N 1 1 306.410 -0.495 10 0 DBAEMO Cn1cc([C@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)cn1 ZINC000408032964 138204367 /nfs/dbraw/zinc/20/43/67/138204367.db2.gz FTKRSLPJXQUBMG-HUUCEWRRSA-N 1 1 319.409 -0.290 10 0 DBAEMO Cc1noc([C@@H]2COCCN2C(=O)[C@H]2C[N@H+]3CCN2CCC3)n1 ZINC000408042871 138204849 /nfs/dbraw/zinc/20/48/49/138204849.db2.gz UOBDAFHMXVVKMM-OLZOCXBDSA-N 1 1 321.381 -0.332 10 0 DBAEMO O=C1CNC(=O)N1CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408046815 138205003 /nfs/dbraw/zinc/20/50/03/138205003.db2.gz YGGXIDODIZBEAX-XQQFMLRXSA-N 1 1 311.382 -0.210 10 0 DBAEMO O=C1CNC(=O)N1CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408046815 138205004 /nfs/dbraw/zinc/20/50/04/138205004.db2.gz YGGXIDODIZBEAX-XQQFMLRXSA-N 1 1 311.382 -0.210 10 0 DBAEMO Cn1cc(C[C@@H](O)C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000408043353 138205047 /nfs/dbraw/zinc/20/50/47/138205047.db2.gz WLAFIGZHYXWCNY-MJBXVCDLSA-N 1 1 308.382 -0.745 10 0 DBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC000408065720 138205636 /nfs/dbraw/zinc/20/56/36/138205636.db2.gz PYMLZTBIAZVNRG-VXGBXAGGSA-N 1 1 324.381 -0.750 10 0 DBAEMO C[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000408111905 138207450 /nfs/dbraw/zinc/20/74/50/138207450.db2.gz IQSGXZXFXNKIQI-AWEZNQCLSA-N 1 1 318.425 -0.239 10 0 DBAEMO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000408123868 138208128 /nfs/dbraw/zinc/20/81/28/138208128.db2.gz KLYUEKMSQAVCCX-RTXFEEFZSA-N 1 1 315.439 -0.179 10 0 DBAEMO CC(=O)N1CC[C@H](C(=O)N2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000408357210 138216185 /nfs/dbraw/zinc/21/61/85/138216185.db2.gz JIWQMFMBEXIKOG-ZDUSSCGKSA-N 1 1 305.382 -0.063 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C ZINC000408233218 138211385 /nfs/dbraw/zinc/21/13/85/138211385.db2.gz ZCYIAKDOJKORIA-ZJUUUORDSA-N 1 1 310.354 -0.987 10 0 DBAEMO CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246393894 283376141 /nfs/dbraw/zinc/37/61/41/283376141.db2.gz IYOPNPKXZQWVFP-OLZOCXBDSA-N 1 1 312.414 -0.125 10 0 DBAEMO Nc1cc[nH+]c(N2CC[C@]3(O)CC[N@H+](CC(=O)[O-])C[C@@H]3C2)n1 ZINC000091427125 193053943 /nfs/dbraw/zinc/05/39/43/193053943.db2.gz YLRDZJHNYAHYJN-QMTHXVAHSA-N 1 1 307.354 -0.594 10 0 DBAEMO Nc1cc[nH+]c(N2CC[C@]3(O)CC[N@@H+](CC(=O)[O-])C[C@@H]3C2)n1 ZINC000091427125 193053945 /nfs/dbraw/zinc/05/39/45/193053945.db2.gz YLRDZJHNYAHYJN-QMTHXVAHSA-N 1 1 307.354 -0.594 10 0 DBAEMO NC(=O)C[NH+]1CCC(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000091468340 193060701 /nfs/dbraw/zinc/06/07/01/193060701.db2.gz UYNFDKAZNSRHKT-GFCCVEGCSA-N 1 1 305.382 -0.420 10 0 DBAEMO Cc1nc2c(c(=O)[nH]1)CN(C(=O)C1CC[NH+](CC(N)=O)CC1)C2 ZINC000091713543 193096402 /nfs/dbraw/zinc/09/64/02/193096402.db2.gz HJYRIUUPJPJDHC-UHFFFAOYSA-N 1 1 319.365 -0.882 10 0 DBAEMO C[C@H]1C[N@H+](C)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000074755615 374485887 /nfs/dbraw/zinc/48/58/87/374485887.db2.gz QQXZJGQWSXMYRZ-NSHDSACASA-N 1 1 303.428 -0.180 10 0 DBAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000074755615 374485894 /nfs/dbraw/zinc/48/58/94/374485894.db2.gz QQXZJGQWSXMYRZ-NSHDSACASA-N 1 1 303.428 -0.180 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000088769539 374625037 /nfs/dbraw/zinc/62/50/37/374625037.db2.gz IBOPDXFMSJUXRR-GFCCVEGCSA-N 1 1 319.427 -0.104 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000088769539 374625043 /nfs/dbraw/zinc/62/50/43/374625043.db2.gz IBOPDXFMSJUXRR-GFCCVEGCSA-N 1 1 319.427 -0.104 10 0 DBAEMO CN(C)S(=O)(=O)CCCN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408039120 374690135 /nfs/dbraw/zinc/69/01/35/374690135.db2.gz SFNXVAKPVPVILU-OLZOCXBDSA-N 1 1 305.444 -0.327 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000408108877 374753817 /nfs/dbraw/zinc/75/38/17/374753817.db2.gz CNGCNJUYWVQQIE-NQBHXWOUSA-N 1 1 315.439 -0.179 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000408108877 374753824 /nfs/dbraw/zinc/75/38/24/374753824.db2.gz CNGCNJUYWVQQIE-NQBHXWOUSA-N 1 1 315.439 -0.179 10 0 DBAEMO COc1c(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(C)nn1C ZINC000400176134 374886604 /nfs/dbraw/zinc/88/66/04/374886604.db2.gz DNZFIJWKSHWUAP-JTQLQIEISA-N 1 1 302.400 -0.139 10 0 DBAEMO CCN1CCN(CC(=O)N2CCC[N@H+](C3CC3)CC2)C(=O)C1=O ZINC000148940252 374859126 /nfs/dbraw/zinc/85/91/26/374859126.db2.gz NXANSSBDKJYRNE-UHFFFAOYSA-N 1 1 322.409 -0.626 10 0 DBAEMO CCS(=O)(=O)NCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000109328646 374925116 /nfs/dbraw/zinc/92/51/16/374925116.db2.gz ZQHGDKHSISWVDO-UHFFFAOYSA-N 1 1 313.427 -0.072 10 0 DBAEMO CCS(=O)(=O)NCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000109328646 374925124 /nfs/dbraw/zinc/92/51/24/374925124.db2.gz ZQHGDKHSISWVDO-UHFFFAOYSA-N 1 1 313.427 -0.072 10 0 DBAEMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798135 374908220 /nfs/dbraw/zinc/90/82/20/374908220.db2.gz OIJRYTQYNTVFAH-LLVKDONJSA-N 1 1 306.370 -0.167 10 0 DBAEMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798135 374908228 /nfs/dbraw/zinc/90/82/28/374908228.db2.gz OIJRYTQYNTVFAH-LLVKDONJSA-N 1 1 306.370 -0.167 10 0 DBAEMO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884375 374911769 /nfs/dbraw/zinc/91/17/69/374911769.db2.gz ISLPFDXJTVTANG-GFCCVEGCSA-N 1 1 306.370 -0.068 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@@H+]1CCOC ZINC000126249653 375076884 /nfs/dbraw/zinc/07/68/84/375076884.db2.gz NBJCCHTUVQPMQK-GFCCVEGCSA-N 1 1 323.397 -0.072 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@H+]1CCOC ZINC000126249653 375076895 /nfs/dbraw/zinc/07/68/95/375076895.db2.gz NBJCCHTUVQPMQK-GFCCVEGCSA-N 1 1 323.397 -0.072 10 0 DBAEMO Cc1ccc(N2CCC[N@@H+](CCCS(N)(=O)=O)CC2)nn1 ZINC000171550700 375473396 /nfs/dbraw/zinc/47/33/96/375473396.db2.gz GICXSXMMXRRVJB-UHFFFAOYSA-N 1 1 313.427 -0.024 10 0 DBAEMO CN(C)CC(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1C[NH+](C)C ZINC000169790993 375536398 /nfs/dbraw/zinc/53/63/98/375536398.db2.gz LUZHGBLFWIOXNT-CHWSQXEVSA-N 1 1 306.414 -0.479 10 0 DBAEMO Cn1c2[nH]c(CN3CC[N@H+]4CCC[C@@H]4C3)nc2c(=O)n(C)c1=O ZINC000179245181 375516638 /nfs/dbraw/zinc/51/66/38/375516638.db2.gz OAOSXFHKSZALOL-SNVBAGLBSA-N 1 1 318.381 -0.760 10 0 DBAEMO COCc1ccccc1CNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179174211 375516883 /nfs/dbraw/zinc/51/68/83/375516883.db2.gz YXTXAFAZTSHBOQ-HUUCEWRRSA-N 1 1 308.378 -0.123 10 0 DBAEMO COCc1ccccc1CNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179174211 375516889 /nfs/dbraw/zinc/51/68/89/375516889.db2.gz YXTXAFAZTSHBOQ-HUUCEWRRSA-N 1 1 308.378 -0.123 10 0 DBAEMO CCOCC[N@H+]1CCN(CCNS(=O)(=O)CC)C[C@@H]1C ZINC000109328876 375614728 /nfs/dbraw/zinc/61/47/28/375614728.db2.gz ZQBXVZYCZPJUGZ-ZDUSSCGKSA-N 1 1 307.460 -0.032 10 0 DBAEMO C[C@@H](CO)[N@H+]1CCCN(c2nc3c(cnn3C)c(N)n2)CC1 ZINC000364606487 375653021 /nfs/dbraw/zinc/65/30/21/375653021.db2.gz NSFXOHNWHXALDI-JTQLQIEISA-N 1 1 305.386 -0.162 10 0 DBAEMO C[C@H](CO)[N@H+]1CCCN(c2nc3c(cnn3C)c(N)n2)CC1 ZINC000364606492 375653396 /nfs/dbraw/zinc/65/33/96/375653396.db2.gz NSFXOHNWHXALDI-SNVBAGLBSA-N 1 1 305.386 -0.162 10 0 DBAEMO O=C(NCCNS(=O)(=O)c1ccccc1)[C@@H]1COCC[NH2+]1 ZINC000262602412 377036286 /nfs/dbraw/zinc/03/62/86/377036286.db2.gz DDOPNWYXTQNWMN-LBPRGKRZSA-N 1 1 313.379 -0.931 10 0 DBAEMO O=C([C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1)N1CCOCC1 ZINC000262636960 377070977 /nfs/dbraw/zinc/07/09/77/377070977.db2.gz XKNFDBYDEBLVOX-STQMWFEESA-N 1 1 311.382 -0.928 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000052593479 377232441 /nfs/dbraw/zinc/23/24/41/377232441.db2.gz UUTJEOCPNVHMAV-LBPRGKRZSA-N 1 1 318.443 -0.243 10 0 DBAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCO[C@@H](CO)C1 ZINC000637985354 377702012 /nfs/dbraw/zinc/70/20/12/377702012.db2.gz DYGFSPLKMLEGHC-HUUCEWRRSA-N 1 1 307.394 -0.335 10 0 DBAEMO CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCO[C@@H](CO)C1 ZINC000637985354 377702017 /nfs/dbraw/zinc/70/20/17/377702017.db2.gz DYGFSPLKMLEGHC-HUUCEWRRSA-N 1 1 307.394 -0.335 10 0 DBAEMO O=C(CN1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1)N1CCCC1 ZINC000164515794 378153796 /nfs/dbraw/zinc/15/37/96/378153796.db2.gz OEEOTGBLLOFXFZ-AWEZNQCLSA-N 1 1 324.425 -0.869 10 0 DBAEMO O=C(CN1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1)N1CCCC1 ZINC000164515911 378153098 /nfs/dbraw/zinc/15/30/98/378153098.db2.gz OEEOTGBLLOFXFZ-CQSZACIVSA-N 1 1 324.425 -0.869 10 0 DBAEMO Cc1noc([C@@H]2CN(CC(=O)N3CC[NH+](C)CC3)CCN2C)n1 ZINC000328955965 378195771 /nfs/dbraw/zinc/19/57/71/378195771.db2.gz OWGSZYBGYYGAOI-ZDUSSCGKSA-N 1 1 322.413 -0.559 10 0 DBAEMO C[NH+]1CCN(C(=O)CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000328957915 378197102 /nfs/dbraw/zinc/19/71/02/378197102.db2.gz JPPMGIRVVZLHRO-KFWWJZLASA-N 1 1 311.426 -0.378 10 0 DBAEMO C[C@@H](C(=O)N1CCC[C@H]1Cn1ccnn1)N1CC[NH+](C)CC1 ZINC000329198178 378466427 /nfs/dbraw/zinc/46/64/27/378466427.db2.gz UOBDQMKNIIQICA-KBPBESRZSA-N 1 1 306.414 -0.095 10 0 DBAEMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000333151167 378550158 /nfs/dbraw/zinc/55/01/58/378550158.db2.gz LTBWQMMRFUOSOG-NWDGAFQWSA-N 1 1 305.382 -0.051 10 0 DBAEMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000312574764 378585806 /nfs/dbraw/zinc/58/58/06/378585806.db2.gz MPDHQJDXRGWYHC-STQMWFEESA-N 1 1 305.444 -0.279 10 0 DBAEMO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)C[C@@H]1CNCCO1 ZINC000312574764 378585812 /nfs/dbraw/zinc/58/58/12/378585812.db2.gz MPDHQJDXRGWYHC-STQMWFEESA-N 1 1 305.444 -0.279 10 0 DBAEMO CCc1noc([C@@H](C)N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)n1 ZINC000168125390 378593413 /nfs/dbraw/zinc/59/34/13/378593413.db2.gz ZHLDCHAJSZPDIV-NEPJUHHUSA-N 1 1 323.397 -0.174 10 0 DBAEMO C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4CO)ncn3)C[C@@H]21 ZINC000301669333 378601078 /nfs/dbraw/zinc/60/10/78/378601078.db2.gz PTRCEIOGMXVADG-MELADBBJSA-N 1 1 319.409 -0.043 10 0 DBAEMO COCCN1CCN(C(=O)NCC[N@@H+](C)CCOC)C[C@H]1C ZINC000117490648 379561463 /nfs/dbraw/zinc/56/14/63/379561463.db2.gz WURIQBKSAKNXGH-CQSZACIVSA-N 1 1 316.446 -0.073 10 0 DBAEMO OC[C@@H]1C[C@H](F)CN1CC1(C[N@H+]2C[C@H](F)C[C@H]2CO)COC1 ZINC000372598757 379633633 /nfs/dbraw/zinc/63/36/33/379633633.db2.gz DQJIKTSZTQZCGC-CRWXNKLISA-N 1 1 320.380 -0.188 10 0 DBAEMO OC[C@@H]1C[C@@H](F)CN1CC1(C[N@@H+]2C[C@@H](F)C[C@H]2CO)COC1 ZINC000372598757 379633640 /nfs/dbraw/zinc/63/36/40/379633640.db2.gz DQJIKTSZTQZCGC-CRWXNKLISA-N 1 1 320.380 -0.188 10 0 DBAEMO OC[C@@H]1C[C@@H](F)CN1CC1(C[N@H+]2C[C@@H](F)C[C@H]2CO)COC1 ZINC000372598757 379633646 /nfs/dbraw/zinc/63/36/46/379633646.db2.gz DQJIKTSZTQZCGC-CRWXNKLISA-N 1 1 320.380 -0.188 10 0 DBAEMO CC(=O)NCCNC(=O)CCC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000171868029 379694443 /nfs/dbraw/zinc/69/44/43/379694443.db2.gz OULQOXLUEGKBPP-UHFFFAOYSA-N 1 1 324.425 -0.284 10 0 DBAEMO CC(C)NS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171905350 379697240 /nfs/dbraw/zinc/69/72/40/379697240.db2.gz UCVAQYIPFJFHHF-LBPRGKRZSA-N 1 1 318.443 -0.196 10 0 DBAEMO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(=O)N(C)C ZINC000175682087 379713577 /nfs/dbraw/zinc/71/35/77/379713577.db2.gz MBPVACDHYGRVQX-AVGNSLFASA-N 1 1 312.414 -0.175 10 0 DBAEMO COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175110197 379713754 /nfs/dbraw/zinc/71/37/54/379713754.db2.gz BKORJALLPHCIFZ-LBPRGKRZSA-N 1 1 310.402 -0.140 10 0 DBAEMO C[NH+](C)C[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCO1 ZINC000176853826 379723537 /nfs/dbraw/zinc/72/35/37/379723537.db2.gz FGUCPFWSOWYIBE-GFCCVEGCSA-N 1 1 318.439 -0.010 10 0 DBAEMO NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC[N@H+](C3CC3)CC2)O1 ZINC000177613354 379726753 /nfs/dbraw/zinc/72/67/53/379726753.db2.gz PHCQZUCMINCXFY-QWHCGFSZSA-N 1 1 310.398 -0.101 10 0 DBAEMO C[NH+]1CCN(c2ncc(CN3CCC[C@@H]3C(N)=O)cn2)CC1 ZINC000179581632 379741734 /nfs/dbraw/zinc/74/17/34/379741734.db2.gz XVORYENTINSHLT-CYBMUJFWSA-N 1 1 304.398 -0.322 10 0 DBAEMO C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1N1CCOCC1 ZINC000180234393 379744845 /nfs/dbraw/zinc/74/48/45/379744845.db2.gz GXZXWAPKFKPLNJ-OCCSQVGLSA-N 1 1 322.409 -0.764 10 0 DBAEMO CCN1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)CC1=O ZINC000181387753 379750317 /nfs/dbraw/zinc/75/03/17/379750317.db2.gz SLDAPWYVEAGGCW-DGCLKSJQSA-N 1 1 305.382 -0.239 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000188191870 379773476 /nfs/dbraw/zinc/77/34/76/379773476.db2.gz KRQRHDNDRLYOKJ-WDEREUQCSA-N 1 1 304.416 -0.586 10 0 DBAEMO O=C(NC1CN(C(=O)NCCC[NH+]2CCOCC2)C1)C1CC1 ZINC000189903706 379784137 /nfs/dbraw/zinc/78/41/37/379784137.db2.gz VCTFPWSMYRVKLR-UHFFFAOYSA-N 1 1 310.398 -0.371 10 0 DBAEMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000195091017 379929795 /nfs/dbraw/zinc/92/97/95/379929795.db2.gz TWPXPXBQYPOQQM-ZDUSSCGKSA-N 1 1 324.425 -0.475 10 0 DBAEMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000195091017 379929799 /nfs/dbraw/zinc/92/97/99/379929799.db2.gz TWPXPXBQYPOQQM-ZDUSSCGKSA-N 1 1 324.425 -0.475 10 0 DBAEMO CCN1CCN(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C(=O)C1=O ZINC000195058440 379930308 /nfs/dbraw/zinc/93/03/08/379930308.db2.gz JMRNVOKUCWBUNO-CYBMUJFWSA-N 1 1 322.409 -0.626 10 0 DBAEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)cn1 ZINC000116310913 379881473 /nfs/dbraw/zinc/88/14/73/379881473.db2.gz POMCPYJUCWXVME-OLZOCXBDSA-N 1 1 319.409 -0.067 10 0 DBAEMO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000195337696 379931192 /nfs/dbraw/zinc/93/11/92/379931192.db2.gz PFAXRBOKQCWXKX-LLVKDONJSA-N 1 1 306.370 -0.714 10 0 DBAEMO CS(=O)(=O)N1CCC(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000195325824 379931564 /nfs/dbraw/zinc/93/15/64/379931564.db2.gz VPRHHYDWMNTAJC-ZDUSSCGKSA-N 1 1 315.439 -0.035 10 0 DBAEMO O=C(CCN1CCCS1(=O)=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195334653 379932366 /nfs/dbraw/zinc/93/23/66/379932366.db2.gz VQPVHIWWBFBAHF-LBPRGKRZSA-N 1 1 301.412 -0.281 10 0 DBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)C[C@H]1N1CCOCC1 ZINC000245535343 379937116 /nfs/dbraw/zinc/93/71/16/379937116.db2.gz KQRYHGKSUYWIEE-HUUCEWRRSA-N 1 1 310.442 -0.587 10 0 DBAEMO NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[N@H+](C3CC3)CC2)O1 ZINC000245775998 379992749 /nfs/dbraw/zinc/99/27/49/379992749.db2.gz PHCQZUCMINCXFY-STQMWFEESA-N 1 1 310.398 -0.101 10 0 DBAEMO CCS(=O)(=O)NCCN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246364274 380084611 /nfs/dbraw/zinc/08/46/11/380084611.db2.gz GXIIXPGQRVSITH-OLZOCXBDSA-N 1 1 305.444 -0.422 10 0 DBAEMO CCS(=O)(=O)NCCN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246364274 380084613 /nfs/dbraw/zinc/08/46/13/380084613.db2.gz GXIIXPGQRVSITH-OLZOCXBDSA-N 1 1 305.444 -0.422 10 0 DBAEMO C[C@@H]1CN(Cc2nc(N)nc(N(C)C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000246477899 380095038 /nfs/dbraw/zinc/09/50/38/380095038.db2.gz OMOFPHNDTRFELJ-VXGBXAGGSA-N 1 1 321.429 -0.328 10 0 DBAEMO O=C([C@H]1CSC[NH2+]1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000075033538 380097440 /nfs/dbraw/zinc/09/74/40/380097440.db2.gz VTMPAJMVGTWYFW-NEPJUHHUSA-N 1 1 313.423 -0.111 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000246879657 380102749 /nfs/dbraw/zinc/10/27/49/380102749.db2.gz FUTOVPSULHPEBF-STQMWFEESA-N 1 1 320.393 -0.368 10 0 DBAEMO CCCCNC(=O)NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247376415 380105409 /nfs/dbraw/zinc/10/54/09/380105409.db2.gz VJHWHLPAKSTZIU-STQMWFEESA-N 1 1 314.430 -0.001 10 0 DBAEMO CCNC(=O)NC(=O)CN1CC[N@H+](CCOCC)[C@@H](C)C1 ZINC000247393832 380106093 /nfs/dbraw/zinc/10/60/93/380106093.db2.gz XLGPFPMCDCNMJW-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO CCNC(=O)NC(=O)CN1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000247393832 380106098 /nfs/dbraw/zinc/10/60/98/380106098.db2.gz XLGPFPMCDCNMJW-LBPRGKRZSA-N 1 1 300.403 -0.125 10 0 DBAEMO COCC[N@H+](C)CCNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248650803 380110430 /nfs/dbraw/zinc/11/04/30/380110430.db2.gz UUQWWSCKXGTBKX-KGLIPLIRSA-N 1 1 316.446 -0.339 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248650803 380110434 /nfs/dbraw/zinc/11/04/34/380110434.db2.gz UUQWWSCKXGTBKX-KGLIPLIRSA-N 1 1 316.446 -0.339 10 0 DBAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)cn1 ZINC000252444638 380129812 /nfs/dbraw/zinc/12/98/12/380129812.db2.gz POMCPYJUCWXVME-QWHCGFSZSA-N 1 1 319.409 -0.067 10 0 DBAEMO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000246585690 380828819 /nfs/dbraw/zinc/82/88/19/380828819.db2.gz STTQVQFWYKMEHU-HNCHTBHHSA-N 1 1 310.398 -0.104 10 0 DBAEMO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CCN1Cc1ccccc1 ZINC000396360385 380979515 /nfs/dbraw/zinc/97/95/15/380979515.db2.gz IYCGHJMYQWRJRY-TZMCWYRMSA-N 1 1 304.394 -0.078 10 0 DBAEMO CCS(=O)(=O)NCCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000132543273 381441405 /nfs/dbraw/zinc/44/14/05/381441405.db2.gz KHHQFLVJKAJGTF-CHWSQXEVSA-N 1 1 307.460 -0.297 10 0 DBAEMO Cc1conc1NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246247039 381581022 /nfs/dbraw/zinc/58/10/22/381581022.db2.gz UQZNMUFOJGELBR-QWRGUYRKSA-N 1 1 310.354 -0.165 10 0 DBAEMO Cc1conc1NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246247039 381581026 /nfs/dbraw/zinc/58/10/26/381581026.db2.gz UQZNMUFOJGELBR-QWRGUYRKSA-N 1 1 310.354 -0.165 10 0 DBAEMO CCS(=O)(=O)NCCCN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000245510806 381564556 /nfs/dbraw/zinc/56/45/56/381564556.db2.gz LSFSGEIZIKGMEV-ZDUSSCGKSA-N 1 1 307.460 -0.032 10 0 DBAEMO CCN1CCN(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C(=O)C1=O ZINC000247293046 381595082 /nfs/dbraw/zinc/59/50/82/381595082.db2.gz KYAVBBVFXRUWCR-OLZOCXBDSA-N 1 1 324.425 -0.478 10 0 DBAEMO CCN1CCN(CC(=O)N(C)C[C@H]2CCC[N@H+]2CC)C(=O)C1=O ZINC000177012419 381961609 /nfs/dbraw/zinc/96/16/09/381961609.db2.gz DUCBBTYSWCESIB-CYBMUJFWSA-N 1 1 324.425 -0.380 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCC(=O)N(C)C)CC1 ZINC000184957054 382105869 /nfs/dbraw/zinc/10/58/69/382105869.db2.gz WHJRNKIJYYBCRR-CYBMUJFWSA-N 1 1 314.430 -0.047 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000181807942 382074862 /nfs/dbraw/zinc/07/48/62/382074862.db2.gz BGSXWKNCQDIECB-QWHCGFSZSA-N 1 1 312.414 -0.295 10 0 DBAEMO Cc1c(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cnn1C ZINC000404168283 382404723 /nfs/dbraw/zinc/40/47/23/382404723.db2.gz UMFFOWSTJKDPOC-QWRGUYRKSA-N 1 1 300.384 -0.520 10 0 DBAEMO Cn1ncc2c1nc(NC[C@@H]1C[N@@H+](C3CC3)CCO1)[nH]c2=O ZINC000066745981 382650162 /nfs/dbraw/zinc/65/01/62/382650162.db2.gz JBYHMIMWFPOTSP-SNVBAGLBSA-N 1 1 304.354 -0.068 10 0 DBAEMO Cn1ncc2c1nc(NC[C@@H]1C[N@H+](C3CC3)CCO1)[nH]c2=O ZINC000066745981 382650164 /nfs/dbraw/zinc/65/01/64/382650164.db2.gz JBYHMIMWFPOTSP-SNVBAGLBSA-N 1 1 304.354 -0.068 10 0 DBAEMO C[C@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)CO1 ZINC000245618301 382688426 /nfs/dbraw/zinc/68/84/26/382688426.db2.gz ZETCSBUBINXATO-QWRGUYRKSA-N 1 1 321.381 -0.457 10 0 DBAEMO C[C@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)CO1 ZINC000245618301 382688427 /nfs/dbraw/zinc/68/84/27/382688427.db2.gz ZETCSBUBINXATO-QWRGUYRKSA-N 1 1 321.381 -0.457 10 0 DBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246603147 382695723 /nfs/dbraw/zinc/69/57/23/382695723.db2.gz XPQSKJNPLSEVOY-AGIUHOORSA-N 1 1 312.414 -0.127 10 0 DBAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000247656311 285024515 /nfs/dbraw/zinc/02/45/15/285024515.db2.gz YOKIBSLFHTYYRK-ZIAGYGMSSA-N 1 1 314.430 -0.273 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000173926134 391907663 /nfs/dbraw/zinc/90/76/63/391907663.db2.gz SQUIDLHTLFPUSK-KBPBESRZSA-N 1 1 324.425 -0.883 10 0 DBAEMO COC[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(C)(C)O1 ZINC000284601712 131095967 /nfs/dbraw/zinc/09/59/67/131095967.db2.gz RBQDQAYOZIADNR-LBPRGKRZSA-N 1 1 311.382 -0.290 10 0 DBAEMO Cn1cc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000285036509 131132540 /nfs/dbraw/zinc/13/25/40/131132540.db2.gz NAUIOZAXFGOAGM-NEPJUHHUSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cn1cc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000285036509 131132543 /nfs/dbraw/zinc/13/25/43/131132543.db2.gz NAUIOZAXFGOAGM-NEPJUHHUSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cc1cc(N2CC[C@H]([N@H+]3C[C@@H](C)[C@H](C(N)=O)C3)C2=O)n(C)n1 ZINC000286148563 131221958 /nfs/dbraw/zinc/22/19/58/131221958.db2.gz LDSHQOOTKOFHEE-JLLWLGSASA-N 1 1 305.382 -0.113 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(CCN2CCCS2(=O)=O)C[C@H]1C ZINC000407951638 392663719 /nfs/dbraw/zinc/66/37/19/392663719.db2.gz PZAURWVYTNIECU-OLZOCXBDSA-N 1 1 305.444 -0.591 10 0 DBAEMO C[C@@H]1C[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C(N)=O ZINC000408048876 392788048 /nfs/dbraw/zinc/78/80/48/392788048.db2.gz RKZWKNKDURHNFD-GHMZBOCLSA-N 1 1 308.382 -0.096 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1C ZINC000408108823 392812842 /nfs/dbraw/zinc/81/28/42/392812842.db2.gz BTAPVELKHRZGGR-QWRGUYRKSA-N 1 1 321.443 -0.772 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1C ZINC000408108823 392812851 /nfs/dbraw/zinc/81/28/51/392812851.db2.gz BTAPVELKHRZGGR-QWRGUYRKSA-N 1 1 321.443 -0.772 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000117286259 393454663 /nfs/dbraw/zinc/45/46/63/393454663.db2.gz LHLNBUXTOKZGRL-QWHCGFSZSA-N 1 1 312.414 -0.044 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000117286259 393454665 /nfs/dbraw/zinc/45/46/65/393454665.db2.gz LHLNBUXTOKZGRL-QWHCGFSZSA-N 1 1 312.414 -0.044 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@@H]1C ZINC000172604356 393759719 /nfs/dbraw/zinc/75/97/19/393759719.db2.gz MEYCHJKBELLKAM-QWHCGFSZSA-N 1 1 322.413 -0.045 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@@H]1C ZINC000172604356 393759723 /nfs/dbraw/zinc/75/97/23/393759723.db2.gz MEYCHJKBELLKAM-QWHCGFSZSA-N 1 1 322.413 -0.045 10 0 DBAEMO C[NH+](C)C[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CCO1 ZINC000152979588 289197468 /nfs/dbraw/zinc/19/74/68/289197468.db2.gz LOZQHZSBPGUQST-LLVKDONJSA-N 1 1 306.428 -0.011 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC000329181245 287088525 /nfs/dbraw/zinc/08/85/25/287088525.db2.gz DSIZXDPYWGPYEZ-VXGBXAGGSA-N 1 1 311.382 -0.561 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNS(C)(=O)=O ZINC000173704094 287220513 /nfs/dbraw/zinc/22/05/13/287220513.db2.gz USFFQRRZKMMJGO-VXGBXAGGSA-N 1 1 318.443 -0.196 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)NC ZINC000408455605 287226366 /nfs/dbraw/zinc/22/63/66/287226366.db2.gz YYSVZRSHSJCLNT-MNOVXSKESA-N 1 1 304.416 -0.875 10 0 DBAEMO CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CC1 ZINC000328824694 544453290 /nfs/dbraw/zinc/45/32/90/544453290.db2.gz PTZICQYJTXJIBO-KFWWJZLASA-N 1 1 311.426 -0.378 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@@H](c3noc(C)n3)C2)[N@H+](C)C1 ZINC000329014586 544459777 /nfs/dbraw/zinc/45/97/77/544459777.db2.gz FVPOFBMJPAJHTK-SDDRHHMPSA-N 1 1 310.354 -0.003 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@@H](c3noc(C)n3)C2)[N@@H+](C)C1 ZINC000329014586 544459786 /nfs/dbraw/zinc/45/97/86/544459786.db2.gz FVPOFBMJPAJHTK-SDDRHHMPSA-N 1 1 310.354 -0.003 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1C ZINC000329679934 544487247 /nfs/dbraw/zinc/48/72/47/544487247.db2.gz XPFDHRUFDLBZCD-LBPRGKRZSA-N 1 1 311.382 -0.295 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1C ZINC000329679934 544487249 /nfs/dbraw/zinc/48/72/49/544487249.db2.gz XPFDHRUFDLBZCD-LBPRGKRZSA-N 1 1 311.382 -0.295 10 0 DBAEMO C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000088358408 544584039 /nfs/dbraw/zinc/58/40/39/544584039.db2.gz NMWSDDDKQLTEGQ-BXKDBHETSA-N 1 1 313.379 -0.500 10 0 DBAEMO CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671553584 544718044 /nfs/dbraw/zinc/71/80/44/544718044.db2.gz WVIFNEWEXFXJDG-HNNXBMFYSA-N 1 1 319.365 -0.034 10 0 DBAEMO CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671553584 544718046 /nfs/dbraw/zinc/71/80/46/544718046.db2.gz WVIFNEWEXFXJDG-HNNXBMFYSA-N 1 1 319.365 -0.034 10 0 DBAEMO CN1C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)NC(C)(C)C3=O)CC[C@@H]21 ZINC000408040836 277017067 /nfs/dbraw/zinc/01/70/67/277017067.db2.gz DIIDERJLNXPBRW-MNOVXSKESA-N 1 1 323.397 -0.195 10 0 DBAEMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000076802543 277043194 /nfs/dbraw/zinc/04/31/94/277043194.db2.gz RGBMPKYWQBRACY-ZIAGYGMSSA-N 1 1 324.425 -0.334 10 0 DBAEMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000076802543 277043195 /nfs/dbraw/zinc/04/31/95/277043195.db2.gz RGBMPKYWQBRACY-ZIAGYGMSSA-N 1 1 324.425 -0.334 10 0 DBAEMO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000407998707 277046692 /nfs/dbraw/zinc/04/66/92/277046692.db2.gz RIPFVJJCJSDRHP-IACUBPJLSA-N 1 1 324.425 -0.301 10 0 DBAEMO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000407998707 277046694 /nfs/dbraw/zinc/04/66/94/277046694.db2.gz RIPFVJJCJSDRHP-IACUBPJLSA-N 1 1 324.425 -0.301 10 0 DBAEMO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000408059550 277141534 /nfs/dbraw/zinc/14/15/34/277141534.db2.gz QLAVKIDTBSBFFQ-FIQHERPVSA-N 1 1 300.355 -0.770 10 0 DBAEMO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000408059550 277141535 /nfs/dbraw/zinc/14/15/35/277141535.db2.gz QLAVKIDTBSBFFQ-FIQHERPVSA-N 1 1 300.355 -0.770 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)N(C)C)[N@H+](C)C1 ZINC000408052963 277346365 /nfs/dbraw/zinc/34/63/65/277346365.db2.gz WPFQWKIWKNLXIN-GARJFASQSA-N 1 1 301.412 -0.305 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)N(C)C)[N@@H+](C)C1 ZINC000408052963 277346366 /nfs/dbraw/zinc/34/63/66/277346366.db2.gz WPFQWKIWKNLXIN-GARJFASQSA-N 1 1 301.412 -0.305 10 0 DBAEMO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000408254885 279346434 /nfs/dbraw/zinc/34/64/34/279346434.db2.gz FXIXDWXZHOJRMC-QWHCGFSZSA-N 1 1 311.430 -0.458 10 0 DBAEMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000408254885 279346436 /nfs/dbraw/zinc/34/64/36/279346436.db2.gz FXIXDWXZHOJRMC-QWHCGFSZSA-N 1 1 311.430 -0.458 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000408254885 279346437 /nfs/dbraw/zinc/34/64/37/279346437.db2.gz FXIXDWXZHOJRMC-QWHCGFSZSA-N 1 1 311.430 -0.458 10 0 DBAEMO CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177244234 280024899 /nfs/dbraw/zinc/02/48/99/280024899.db2.gz GXIIXPGQRVSITH-CHWSQXEVSA-N 1 1 305.444 -0.422 10 0 DBAEMO CCS(=O)(=O)NCCN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177244234 280024901 /nfs/dbraw/zinc/02/49/01/280024901.db2.gz GXIIXPGQRVSITH-CHWSQXEVSA-N 1 1 305.444 -0.422 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCC(=O)N(C)CC)CC1 ZINC000186207290 280204056 /nfs/dbraw/zinc/20/40/56/280204056.db2.gz NGAQNBUPRKCXDP-GFCCVEGCSA-N 1 1 300.403 -0.437 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000113226166 288301549 /nfs/dbraw/zinc/30/15/49/288301549.db2.gz NXMIJZHRIFEXKN-CHWSQXEVSA-N 1 1 315.439 -0.588 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNS(C)(=O)=O ZINC000173704103 288308745 /nfs/dbraw/zinc/30/87/45/288308745.db2.gz USFFQRRZKMMJGO-NWDGAFQWSA-N 1 1 318.443 -0.196 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CS(=O)(=O)N(C)C ZINC000408187101 288308169 /nfs/dbraw/zinc/30/81/69/288308169.db2.gz ZGPONOSDFYHARC-NWDGAFQWSA-N 1 1 303.428 -0.037 10 0 DBAEMO CN(C(=O)N1CCO[C@H](C[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000408018428 289198016 /nfs/dbraw/zinc/19/80/16/289198016.db2.gz RPMFBERGIGTHQB-NWDGAFQWSA-N 1 1 319.427 -0.512 10 0 DBAEMO C[C@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1N1CCOCC1 ZINC000407951015 300255874 /nfs/dbraw/zinc/25/58/74/300255874.db2.gz VNTNLNVGTXMTAL-KBPBESRZSA-N 1 1 319.471 -0.080 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C1 ZINC000111577140 521617573 /nfs/dbraw/zinc/61/75/73/521617573.db2.gz NYMJNDFFIHWZQH-CYBMUJFWSA-N 1 1 312.414 -0.381 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccnc2)CC1 ZINC000189452861 522812711 /nfs/dbraw/zinc/81/27/11/522812711.db2.gz YHGIAEIFFZAUPU-ZDUSSCGKSA-N 1 1 306.366 -0.065 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccnc2)CC1 ZINC000189452883 522996725 /nfs/dbraw/zinc/99/67/25/522996725.db2.gz YHGIAEIFFZAUPU-CYBMUJFWSA-N 1 1 306.366 -0.065 10 0 DBAEMO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105147291 523580850 /nfs/dbraw/zinc/58/08/50/523580850.db2.gz IVABIYZCVBTWRV-CYBMUJFWSA-N 1 1 302.419 -0.416 10 0 DBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000344706272 523755027 /nfs/dbraw/zinc/75/50/27/523755027.db2.gz JGJQWVCUZDCMMK-FRRDWIJNSA-N 1 1 306.428 -0.260 10 0 DBAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000245941195 523793304 /nfs/dbraw/zinc/79/33/04/523793304.db2.gz UWQMROQHUVLTTD-UONOGXRCSA-N 1 1 308.426 -0.249 10 0 DBAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000245941190 523798474 /nfs/dbraw/zinc/79/84/74/523798474.db2.gz UWQMROQHUVLTTD-KBPBESRZSA-N 1 1 308.426 -0.249 10 0 DBAEMO Cc1ccnc2nc(C(=O)N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)nn21 ZINC000266236588 525719417 /nfs/dbraw/zinc/71/94/17/525719417.db2.gz OWHXAFBRMXZDNH-VXGBXAGGSA-N 1 1 318.381 -0.040 10 0 DBAEMO Cc1ccnc2nc(C(=O)N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)nn21 ZINC000266236588 525719427 /nfs/dbraw/zinc/71/94/27/525719427.db2.gz OWHXAFBRMXZDNH-VXGBXAGGSA-N 1 1 318.381 -0.040 10 0 DBAEMO Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000183112615 526135845 /nfs/dbraw/zinc/13/58/45/526135845.db2.gz ZWFFYRDTTSRFOK-LBPRGKRZSA-N 1 1 318.377 -0.061 10 0 DBAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000247032711 526975583 /nfs/dbraw/zinc/97/55/83/526975583.db2.gz VAQZMQMZVKTRHM-GJZGRUSLSA-N 1 1 311.426 -0.376 10 0 DBAEMO CCCOCCCCCC[N@H+]1C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1CO ZINC000306146802 528591928 /nfs/dbraw/zinc/59/19/28/528591928.db2.gz OLYHECNPMKMYII-AJNGGQMLSA-N 1 1 305.415 -0.267 10 0 DBAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cc3nnn(C)n3)CC2)C1 ZINC000193350884 529050745 /nfs/dbraw/zinc/05/07/45/529050745.db2.gz PPNQFFGGLMLCNL-AWEZNQCLSA-N 1 1 323.445 -0.563 10 0 DBAEMO CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408029317 535322673 /nfs/dbraw/zinc/32/26/73/535322673.db2.gz HUWXLLQLNPRCKG-KGLIPLIRSA-N 1 1 308.426 -0.107 10 0 DBAEMO CN1CCO[C@@H]2C[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC000407951359 536436734 /nfs/dbraw/zinc/43/67/34/536436734.db2.gz WFQLLFAJNKQEBI-VXGBXAGGSA-N 1 1 310.398 -0.278 10 0 DBAEMO COC[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC(C)(C)O1 ZINC000284601710 536587603 /nfs/dbraw/zinc/58/76/03/536587603.db2.gz RBQDQAYOZIADNR-GFCCVEGCSA-N 1 1 311.382 -0.290 10 0 DBAEMO CCOCC[N@@H+]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C ZINC000933058755 664119290 /nfs/dbraw/zinc/11/92/90/664119290.db2.gz ZBPPXZSJAQGLLA-VXGBXAGGSA-N 1 1 311.382 -0.392 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C ZINC000933058755 664119299 /nfs/dbraw/zinc/11/92/99/664119299.db2.gz ZBPPXZSJAQGLLA-VXGBXAGGSA-N 1 1 311.382 -0.392 10 0 DBAEMO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000897722278 672508401 /nfs/dbraw/zinc/50/84/01/672508401.db2.gz WNALMBMSWGOXAR-NEPJUHHUSA-N 1 1 307.354 -0.575 10 0 DBAEMO CN1CCO[C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC000328931903 283030274 /nfs/dbraw/zinc/03/02/74/283030274.db2.gz ZYDASDMWVFPJOM-RYUDHWBXSA-N 1 1 310.398 -0.074 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(O)(C(F)F)CC2)C1 ZINC000408367279 138215737 /nfs/dbraw/zinc/21/57/37/138215737.db2.gz UPCAGXMVBNJCQU-SNVBAGLBSA-N 1 1 319.352 -0.198 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000408019348 138202832 /nfs/dbraw/zinc/20/28/32/138202832.db2.gz DTUWBFVHHQQJLP-GFCCVEGCSA-N 1 1 318.443 -0.498 10 0 DBAEMO CCn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000408029344 138203773 /nfs/dbraw/zinc/20/37/73/138203773.db2.gz TUJFNEVMJKRQNU-CHWSQXEVSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000408029344 138203774 /nfs/dbraw/zinc/20/37/74/138203774.db2.gz TUJFNEVMJKRQNU-CHWSQXEVSA-N 1 1 314.411 -0.003 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3cccnn3)CC2)[N@@H+](C)C1 ZINC000408036364 138204407 /nfs/dbraw/zinc/20/44/07/138204407.db2.gz SQADKOSPJGLNHD-STQMWFEESA-N 1 1 305.382 -0.156 10 0 DBAEMO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000408046696 138204550 /nfs/dbraw/zinc/20/45/50/138204550.db2.gz CRXGSRCBYFTUPI-INIZCTEOSA-N 1 1 312.410 -0.023 10 0 DBAEMO O=C1CNC(=O)N1CC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408046813 138204711 /nfs/dbraw/zinc/20/47/11/138204711.db2.gz YGGXIDODIZBEAX-UPJWGTAASA-N 1 1 311.382 -0.210 10 0 DBAEMO O=C1CNC(=O)N1CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408046813 138204713 /nfs/dbraw/zinc/20/47/13/138204713.db2.gz YGGXIDODIZBEAX-UPJWGTAASA-N 1 1 311.382 -0.210 10 0 DBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]2C1 ZINC000408043115 138204799 /nfs/dbraw/zinc/20/47/99/138204799.db2.gz VFBLPWXBICZEKD-NXEZZACHSA-N 1 1 323.315 -0.014 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CC(=O)N(CC(F)(F)F)C2)[N@H+](C)C1 ZINC000408045925 138204864 /nfs/dbraw/zinc/20/48/64/138204864.db2.gz ABECBFPNQPKGMG-IUCAKERBSA-N 1 1 309.288 -0.104 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CC(=O)N(CC(F)(F)F)C2)[N@@H+](C)C1 ZINC000408045925 138204865 /nfs/dbraw/zinc/20/48/65/138204865.db2.gz ABECBFPNQPKGMG-IUCAKERBSA-N 1 1 309.288 -0.104 10 0 DBAEMO C[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000408113211 138207926 /nfs/dbraw/zinc/20/79/26/138207926.db2.gz QXIAGEZVHBQFOQ-MEBBXXQBSA-N 1 1 308.382 -0.131 10 0 DBAEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000408113211 138207927 /nfs/dbraw/zinc/20/79/27/138207927.db2.gz QXIAGEZVHBQFOQ-MEBBXXQBSA-N 1 1 308.382 -0.131 10 0 DBAEMO C[N@H+]1CC[C@H]2CCN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC000408144692 138208517 /nfs/dbraw/zinc/20/85/17/138208517.db2.gz MWRMLMQDSKHXAQ-NWDGAFQWSA-N 1 1 308.382 -0.129 10 0 DBAEMO CN(CC1CC1)S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000408202526 138210798 /nfs/dbraw/zinc/21/07/98/138210798.db2.gz IYJQNLMPEKPSGL-UHFFFAOYSA-N 1 1 305.444 -0.039 10 0 DBAEMO COCCC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408319944 138214783 /nfs/dbraw/zinc/21/47/83/138214783.db2.gz NHJUXTRAQNSYCV-CQSZACIVSA-N 1 1 324.425 -0.916 10 0 DBAEMO Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2CC[NH+](C)CC2)n1 ZINC000408389623 138216914 /nfs/dbraw/zinc/21/69/14/138216914.db2.gz MNNDTGBICCMMLD-VXGBXAGGSA-N 1 1 309.370 -0.740 10 0 DBAEMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)C1 ZINC000408395052 138217051 /nfs/dbraw/zinc/21/70/51/138217051.db2.gz LUCQUILWOCOFQC-NWDGAFQWSA-N 1 1 321.381 -0.815 10 0 DBAEMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)C1 ZINC000408395052 138217052 /nfs/dbraw/zinc/21/70/52/138217052.db2.gz LUCQUILWOCOFQC-NWDGAFQWSA-N 1 1 321.381 -0.815 10 0 DBAEMO C[C@H]1CN(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)[C@@H](C)CO1 ZINC000408431450 138218328 /nfs/dbraw/zinc/21/83/28/138218328.db2.gz HRDGVYAVJOFZPF-STQMWFEESA-N 1 1 321.443 -0.660 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000408435291 138218778 /nfs/dbraw/zinc/21/87/78/138218778.db2.gz MHOMMJGJVLZYLE-MNOVXSKESA-N 1 1 304.416 -0.457 10 0 DBAEMO CN1C(=O)N[C@]2(CCN(C(=O)NC[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000332840354 374438888 /nfs/dbraw/zinc/43/88/88/374438888.db2.gz JGKWEOIFDSNABH-YGRLFVJLSA-N 1 1 309.370 -0.584 10 0 DBAEMO CN1C(=O)N[C@]2(CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC000332840353 374439407 /nfs/dbraw/zinc/43/94/07/374439407.db2.gz JGKWEOIFDSNABH-HZMBPMFUSA-N 1 1 309.370 -0.584 10 0 DBAEMO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1COCC[NH2+]1 ZINC000261583648 374594332 /nfs/dbraw/zinc/59/43/32/374594332.db2.gz HJOAZJKLTOOPDJ-HZPDHXFCSA-N 1 1 319.405 -0.008 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000255775034 374615304 /nfs/dbraw/zinc/61/53/04/374615304.db2.gz PUYIKYZQLRAJID-MEJMFZKBSA-N 1 1 320.393 -0.302 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000088772524 374627391 /nfs/dbraw/zinc/62/73/91/374627391.db2.gz SXJUMRUZMZAVNL-NSHDSACASA-N 1 1 307.416 -0.390 10 0 DBAEMO COc1c(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c(C)nn1C ZINC000400176140 374886299 /nfs/dbraw/zinc/88/62/99/374886299.db2.gz DNZFIJWKSHWUAP-SNVBAGLBSA-N 1 1 302.400 -0.139 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000113232191 374960729 /nfs/dbraw/zinc/96/07/29/374960729.db2.gz TYMWEPSSURSFGP-NWDGAFQWSA-N 1 1 306.366 -0.758 10 0 DBAEMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798130 374908329 /nfs/dbraw/zinc/90/83/29/374908329.db2.gz OIJRYTQYNTVFAH-NSHDSACASA-N 1 1 306.370 -0.167 10 0 DBAEMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798130 374908334 /nfs/dbraw/zinc/90/83/34/374908334.db2.gz OIJRYTQYNTVFAH-NSHDSACASA-N 1 1 306.370 -0.167 10 0 DBAEMO CN(c1cccnn1)C1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000105806351 374908383 /nfs/dbraw/zinc/90/83/83/374908383.db2.gz ZBJDZTOWFIATOI-UHFFFAOYSA-N 1 1 318.381 -0.071 10 0 DBAEMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806116 374908621 /nfs/dbraw/zinc/90/86/21/374908621.db2.gz PERPKEAOYJZPQJ-JTQLQIEISA-N 1 1 306.370 -0.039 10 0 DBAEMO CNC(=O)NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806137 374908693 /nfs/dbraw/zinc/90/86/93/374908693.db2.gz PEDIIEYHJQSFHU-UHFFFAOYSA-N 1 1 306.370 -0.167 10 0 DBAEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N3CCNC(=O)C3)C2)c1 ZINC000105900513 374910712 /nfs/dbraw/zinc/91/07/12/374910712.db2.gz AQIGQTCZVGXTHG-CYBMUJFWSA-N 1 1 305.382 -0.213 10 0 DBAEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)c1 ZINC000105900513 374910723 /nfs/dbraw/zinc/91/07/23/374910723.db2.gz AQIGQTCZVGXTHG-CYBMUJFWSA-N 1 1 305.382 -0.213 10 0 DBAEMO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884376 374911082 /nfs/dbraw/zinc/91/10/82/374911082.db2.gz ISLPFDXJTVTANG-LBPRGKRZSA-N 1 1 306.370 -0.068 10 0 DBAEMO O=C(C[NH+]1CCC(Cn2cccn2)CC1)N1CCNC(=O)C1 ZINC000105886421 374912144 /nfs/dbraw/zinc/91/21/44/374912144.db2.gz YSMIZPIULRKMPR-UHFFFAOYSA-N 1 1 305.382 -0.447 10 0 DBAEMO COC(=O)CNC(=O)CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105917691 374914151 /nfs/dbraw/zinc/91/41/51/374914151.db2.gz BBXYLVSFAJOTPK-UHFFFAOYSA-N 1 1 323.397 -0.783 10 0 DBAEMO COC(=O)CNC(=O)CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105917691 374914159 /nfs/dbraw/zinc/91/41/59/374914159.db2.gz BBXYLVSFAJOTPK-UHFFFAOYSA-N 1 1 323.397 -0.783 10 0 DBAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105919946 374914606 /nfs/dbraw/zinc/91/46/06/374914606.db2.gz AZHJDEKBUNWQDP-CYBMUJFWSA-N 1 1 323.397 -0.104 10 0 DBAEMO CC[C@@H]1CN(C(=O)C2(O)CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000408320986 375078582 /nfs/dbraw/zinc/07/85/82/375078582.db2.gz PSOLFAZIDGUIMY-CHWSQXEVSA-N 1 1 300.399 -0.169 10 0 DBAEMO CC(C)C(=O)N[C@@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170075 375179100 /nfs/dbraw/zinc/17/91/00/375179100.db2.gz IODKCHKPOWBSLV-CQSZACIVSA-N 1 1 310.442 -0.003 10 0 DBAEMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332785240 375412007 /nfs/dbraw/zinc/41/20/07/375412007.db2.gz FBROKOJDBWKGGI-AHLTXXRQSA-N 1 1 320.397 0.000 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000177610360 375508641 /nfs/dbraw/zinc/50/86/41/375508641.db2.gz WTSPBPUEVFWNLT-VXGBXAGGSA-N 1 1 306.366 -0.066 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000177610360 375508648 /nfs/dbraw/zinc/50/86/48/375508648.db2.gz WTSPBPUEVFWNLT-VXGBXAGGSA-N 1 1 306.366 -0.066 10 0 DBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)NCCOc1cccc(F)c1 ZINC000179174014 375517431 /nfs/dbraw/zinc/51/74/31/375517431.db2.gz FNRIEGQTWKWIRX-CHWSQXEVSA-N 1 1 312.341 -0.252 10 0 DBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)NCCOc1cccc(F)c1 ZINC000179174014 375517435 /nfs/dbraw/zinc/51/74/35/375517435.db2.gz FNRIEGQTWKWIRX-CHWSQXEVSA-N 1 1 312.341 -0.252 10 0 DBAEMO CCCOCCCCCC[N@H+]1C[C@@H](O)[C@H](O)[C@H](O)[C@H]1CO ZINC000616590193 376523021 /nfs/dbraw/zinc/52/30/21/376523021.db2.gz OLYHECNPMKMYII-TUVASFSCSA-N 1 1 305.415 -0.267 10 0 DBAEMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)N1CCNC(=O)C1 ZINC000337285792 376810310 /nfs/dbraw/zinc/81/03/10/376810310.db2.gz KGJXVIMSUDXDKG-MCIONIFRSA-N 1 1 309.410 -0.040 10 0 DBAEMO O=C([C@H]1COCC[NH2+]1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000262636958 377071297 /nfs/dbraw/zinc/07/12/97/377071297.db2.gz XKNFDBYDEBLVOX-QWHCGFSZSA-N 1 1 311.382 -0.928 10 0 DBAEMO CC(C)(C)OC(=O)NCC[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616637670 377268052 /nfs/dbraw/zinc/26/80/52/377268052.db2.gz AVDWQFBQIITVKY-VIFPVBQESA-N 1 1 308.404 -0.622 10 0 DBAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCO[C@H](CO)C1 ZINC000637985353 377700993 /nfs/dbraw/zinc/70/09/93/377700993.db2.gz DYGFSPLKMLEGHC-GJZGRUSLSA-N 1 1 307.394 -0.335 10 0 DBAEMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCO[C@H](CO)C1 ZINC000637985353 377701000 /nfs/dbraw/zinc/70/10/00/377701000.db2.gz DYGFSPLKMLEGHC-GJZGRUSLSA-N 1 1 307.394 -0.335 10 0 DBAEMO COCCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[NH2+]C2 ZINC000299784149 378051106 /nfs/dbraw/zinc/05/11/06/378051106.db2.gz ZDWITHHIYBOAGW-UHFFFAOYSA-N 1 1 321.425 -0.047 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@@H]1C ZINC000248421130 378326258 /nfs/dbraw/zinc/32/62/58/378326258.db2.gz XTJWIDBEZHWIDS-QWRGUYRKSA-N 1 1 318.381 -0.110 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@@H]1C ZINC000248421130 378326260 /nfs/dbraw/zinc/32/62/60/378326260.db2.gz XTJWIDBEZHWIDS-QWRGUYRKSA-N 1 1 318.381 -0.110 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC000248421128 378326283 /nfs/dbraw/zinc/32/62/83/378326283.db2.gz XTJWIDBEZHWIDS-MNOVXSKESA-N 1 1 318.381 -0.110 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC000248421128 378326286 /nfs/dbraw/zinc/32/62/86/378326286.db2.gz XTJWIDBEZHWIDS-MNOVXSKESA-N 1 1 318.381 -0.110 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000194646977 378343353 /nfs/dbraw/zinc/34/33/53/378343353.db2.gz VIWQXLDELSSMIX-LLVKDONJSA-N 1 1 318.381 -0.270 10 0 DBAEMO Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)n1 ZINC000329957705 378517773 /nfs/dbraw/zinc/51/77/73/378517773.db2.gz PNDBQPCFHCBQDW-ZIAGYGMSSA-N 1 1 323.397 -0.547 10 0 DBAEMO Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)n1 ZINC000329957705 378517777 /nfs/dbraw/zinc/51/77/77/378517777.db2.gz PNDBQPCFHCBQDW-ZIAGYGMSSA-N 1 1 323.397 -0.547 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C ZINC000248594473 378518776 /nfs/dbraw/zinc/51/87/76/378518776.db2.gz HVUCFCNQGBHRRK-AVGNSLFASA-N 1 1 324.425 -0.154 10 0 DBAEMO C[C@H](C(=O)N1CCC[C@](O)(C(N)=O)C1)[NH+]1CCSCC1 ZINC000367574783 378583270 /nfs/dbraw/zinc/58/32/70/378583270.db2.gz XELOHTFIBHDQPV-ZWNOBZJWSA-N 1 1 301.412 -0.738 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000105898365 378624991 /nfs/dbraw/zinc/62/49/91/378624991.db2.gz CPUPHXRNYKAWRG-QWHCGFSZSA-N 1 1 320.397 -0.361 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000105898365 378625002 /nfs/dbraw/zinc/62/50/02/378625002.db2.gz CPUPHXRNYKAWRG-QWHCGFSZSA-N 1 1 320.397 -0.361 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC000105898368 378625852 /nfs/dbraw/zinc/62/58/52/378625852.db2.gz CPUPHXRNYKAWRG-STQMWFEESA-N 1 1 320.397 -0.361 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC000105898368 378625858 /nfs/dbraw/zinc/62/58/58/378625858.db2.gz CPUPHXRNYKAWRG-STQMWFEESA-N 1 1 320.397 -0.361 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117044141 379551751 /nfs/dbraw/zinc/55/17/51/379551751.db2.gz BLPRLEIEQXQCEJ-CYBMUJFWSA-N 1 1 302.419 -0.463 10 0 DBAEMO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C(N)=O)O1 ZINC000122988071 379674305 /nfs/dbraw/zinc/67/43/05/379674305.db2.gz IDYMVBWMWHNTJQ-NQBHXWOUSA-N 1 1 310.398 -0.245 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)CNC(C)=O ZINC000175031040 379714133 /nfs/dbraw/zinc/71/41/33/379714133.db2.gz RNUXQLQKXVUXHI-QWHCGFSZSA-N 1 1 310.398 -0.676 10 0 DBAEMO CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)CC2 ZINC000174874497 379714428 /nfs/dbraw/zinc/71/44/28/379714428.db2.gz SHVVMYSCBDOLIS-VXGBXAGGSA-N 1 1 307.398 -0.008 10 0 DBAEMO CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)CC2 ZINC000174874497 379714437 /nfs/dbraw/zinc/71/44/37/379714437.db2.gz SHVVMYSCBDOLIS-VXGBXAGGSA-N 1 1 307.398 -0.008 10 0 DBAEMO COC(=O)CNC(=O)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183863073 379754993 /nfs/dbraw/zinc/75/49/93/379754993.db2.gz GUOUIXKCLUFYGW-UHFFFAOYSA-N 1 1 306.366 -0.117 10 0 DBAEMO COC(=O)CNC(=O)C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183863073 379755000 /nfs/dbraw/zinc/75/50/00/379755000.db2.gz GUOUIXKCLUFYGW-UHFFFAOYSA-N 1 1 306.366 -0.117 10 0 DBAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[S@](C)=O)CC1 ZINC000179679186 379743184 /nfs/dbraw/zinc/74/31/84/379743184.db2.gz HFFWFYWYDOQOLP-QKVFXAPYSA-N 1 1 315.439 -0.480 10 0 DBAEMO C[N@@H+]1C[C@H]2CN(C(=O)c3cn(CC4(C)COC4)nn3)C[C@H]2C1 ZINC000192501195 379792437 /nfs/dbraw/zinc/79/24/37/379792437.db2.gz ARERUKDTUKPJAS-TXEJJXNPSA-N 1 1 305.382 -0.052 10 0 DBAEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC(NC(=O)COC)C1 ZINC000185344619 379760848 /nfs/dbraw/zinc/76/08/48/379760848.db2.gz QOUHOFOLQJBSNW-LLVKDONJSA-N 1 1 300.403 -0.127 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCS(=O)(=O)NC ZINC000188132726 379768788 /nfs/dbraw/zinc/76/87/88/379768788.db2.gz JVDWZFHHDZHDJM-VXGBXAGGSA-N 1 1 318.443 -0.196 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCS(=O)(=O)NC ZINC000188132755 379769663 /nfs/dbraw/zinc/76/96/63/379769663.db2.gz JVDWZFHHDZHDJM-NWDGAFQWSA-N 1 1 318.443 -0.196 10 0 DBAEMO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000368910001 379910067 /nfs/dbraw/zinc/91/00/67/379910067.db2.gz MNELUXIGATYJCC-XQQFMLRXSA-N 1 1 323.393 -0.440 10 0 DBAEMO CCS(=O)(=O)NCCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000133537970 379915364 /nfs/dbraw/zinc/91/53/64/379915364.db2.gz TVQFSPHTRQIWQK-UONOGXRCSA-N 1 1 319.471 -0.032 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000137077300 379922598 /nfs/dbraw/zinc/92/25/98/379922598.db2.gz RNTYGAFTOJUBNW-NWDGAFQWSA-N 1 1 308.382 -0.348 10 0 DBAEMO O=C(C1=NN(CCO)C(=O)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000136701747 379922984 /nfs/dbraw/zinc/92/29/84/379922984.db2.gz ABTZLYNDQSOHAW-LBPRGKRZSA-N 1 1 308.382 -0.346 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)CN2CCC[N@H+](C3CC3)CC2)C1 ZINC000195338514 379931605 /nfs/dbraw/zinc/93/16/05/379931605.db2.gz UZVTXWLHWWDTMC-ZDUSSCGKSA-N 1 1 308.426 -0.120 10 0 DBAEMO CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CS(C)(=O)=O ZINC000246734306 380099716 /nfs/dbraw/zinc/09/97/16/380099716.db2.gz LOFBAEQZUHXFAK-NEPJUHHUSA-N 1 1 306.428 -0.275 10 0 DBAEMO CC[N@@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CS(C)(=O)=O ZINC000246734306 380099721 /nfs/dbraw/zinc/09/97/21/380099721.db2.gz LOFBAEQZUHXFAK-NEPJUHHUSA-N 1 1 306.428 -0.275 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)CNC(C)=O ZINC000247012950 380101680 /nfs/dbraw/zinc/10/16/80/380101680.db2.gz RNUXQLQKXVUXHI-OLZOCXBDSA-N 1 1 310.398 -0.676 10 0 DBAEMO O[C@@H](CN1CCOCC1)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000247376262 380105700 /nfs/dbraw/zinc/10/57/00/380105700.db2.gz VINNECNFWSUNCL-OAHLLOKOSA-N 1 1 321.425 -0.318 10 0 DBAEMO CCCCNC(=O)NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247376408 380106392 /nfs/dbraw/zinc/10/63/92/380106392.db2.gz VJHWHLPAKSTZIU-QWHCGFSZSA-N 1 1 314.430 -0.001 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000247710011 380107895 /nfs/dbraw/zinc/10/78/95/380107895.db2.gz RNTYGAFTOJUBNW-NEPJUHHUSA-N 1 1 308.382 -0.348 10 0 DBAEMO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247774066 380108330 /nfs/dbraw/zinc/10/83/30/380108330.db2.gz QADBIWSOGWJVFN-SDDRHHMPSA-N 1 1 323.445 -0.032 10 0 DBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCCN1CCc2ccccc21 ZINC000248387151 380111583 /nfs/dbraw/zinc/11/15/83/380111583.db2.gz AGWNAZKOOPBLMW-CABCVRRESA-N 1 1 319.405 -0.407 10 0 DBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCCN1CCc2ccccc21 ZINC000248387151 380111587 /nfs/dbraw/zinc/11/15/87/380111587.db2.gz AGWNAZKOOPBLMW-CABCVRRESA-N 1 1 319.405 -0.407 10 0 DBAEMO C[NH2+][C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cnn(C)c1 ZINC000262607870 380196586 /nfs/dbraw/zinc/19/65/86/380196586.db2.gz YLFSBKCUVNGKMW-RSXIPKFTSA-N 1 1 305.382 -0.194 10 0 DBAEMO C[NH2+][C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cnn(C)c1 ZINC000262607872 380197073 /nfs/dbraw/zinc/19/70/73/380197073.db2.gz YLFSBKCUVNGKMW-WUWHUORYSA-N 1 1 305.382 -0.194 10 0 DBAEMO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CCN1Cc1ccccc1 ZINC000396360382 380980499 /nfs/dbraw/zinc/98/04/99/380980499.db2.gz IYCGHJMYQWRJRY-OCCSQVGLSA-N 1 1 304.394 -0.078 10 0 DBAEMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3CCCO3)cn2)CC1 ZINC000152508579 380981891 /nfs/dbraw/zinc/98/18/91/380981891.db2.gz RSKOSISFJGTPRV-ZDUSSCGKSA-N 1 1 321.381 -0.225 10 0 DBAEMO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249832349 380932598 /nfs/dbraw/zinc/93/25/98/380932598.db2.gz OUHNEEMCTWSZGJ-RYUDHWBXSA-N 1 1 301.412 -0.283 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000228140245 381091965 /nfs/dbraw/zinc/09/19/65/381091965.db2.gz KNDHAHABSNRGNA-RYUDHWBXSA-N 1 1 319.427 -0.105 10 0 DBAEMO CCC[C@@H](NC(N)=O)C(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000127448157 381343516 /nfs/dbraw/zinc/34/35/16/381343516.db2.gz HFVBBCBRWIHZQY-NWDGAFQWSA-N 1 1 300.403 -0.262 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000247501586 381596191 /nfs/dbraw/zinc/59/61/91/381596191.db2.gz LTFPJCBLALNNCS-HUUCEWRRSA-N 1 1 311.426 -0.234 10 0 DBAEMO O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1COCC[NH2+]1 ZINC000262332559 381625333 /nfs/dbraw/zinc/62/53/33/381625333.db2.gz SPSBASHXOXTYKK-CYBMUJFWSA-N 1 1 306.366 -0.477 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@@H+]1CCOC ZINC000153206751 381631206 /nfs/dbraw/zinc/63/12/06/381631206.db2.gz CCJBLWIMRCHLKB-LBPRGKRZSA-N 1 1 323.397 -0.072 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@H+]1CCOC ZINC000153206751 381631210 /nfs/dbraw/zinc/63/12/10/381631210.db2.gz CCJBLWIMRCHLKB-LBPRGKRZSA-N 1 1 323.397 -0.072 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@H]1C ZINC000154541585 381687729 /nfs/dbraw/zinc/68/77/29/381687729.db2.gz ZHKWIMRDIWXCEC-GHMZBOCLSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@H]1C ZINC000154541585 381687733 /nfs/dbraw/zinc/68/77/33/381687733.db2.gz ZHKWIMRDIWXCEC-GHMZBOCLSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@@H]1C ZINC000154541688 381688209 /nfs/dbraw/zinc/68/82/09/381688209.db2.gz ZHKWIMRDIWXCEC-WDEREUQCSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@@H]1C ZINC000154541688 381688213 /nfs/dbraw/zinc/68/82/13/381688213.db2.gz ZHKWIMRDIWXCEC-WDEREUQCSA-N 1 1 309.370 -0.728 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NCCNC(=O)C2CC2)C[C@H]1C ZINC000172322118 381894066 /nfs/dbraw/zinc/89/40/66/381894066.db2.gz CRHPOXPMLKAXIO-GFCCVEGCSA-N 1 1 312.414 -0.125 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NCCNC(=O)C2CC2)C[C@H]1C ZINC000172322118 381894076 /nfs/dbraw/zinc/89/40/76/381894076.db2.gz CRHPOXPMLKAXIO-GFCCVEGCSA-N 1 1 312.414 -0.125 10 0 DBAEMO CC[C@H]1CN(C(=O)NCCC(=O)N(C)C)CC[N@H+]1C[C@@H](C)O ZINC000184871070 382104316 /nfs/dbraw/zinc/10/43/16/382104316.db2.gz KQPUKPBIWHQJFW-OLZOCXBDSA-N 1 1 314.430 -0.049 10 0 DBAEMO CC[C@H]1CN(C(=O)NCc2ncn(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000182135604 382076407 /nfs/dbraw/zinc/07/64/07/382076407.db2.gz HVHBYNAJAJHVEQ-NEPJUHHUSA-N 1 1 310.402 -0.198 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000105898477 382348972 /nfs/dbraw/zinc/34/89/72/382348972.db2.gz VZQFRHASENABPQ-CQSZACIVSA-N 1 1 320.397 -0.394 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000105898477 382348975 /nfs/dbraw/zinc/34/89/75/382348975.db2.gz VZQFRHASENABPQ-CQSZACIVSA-N 1 1 320.397 -0.394 10 0 DBAEMO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404134814 382404619 /nfs/dbraw/zinc/40/46/19/382404619.db2.gz WOMBOQIIIPJWNU-UWVGGRQHSA-N 1 1 320.802 -0.175 10 0 DBAEMO Cc1nc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cn1C ZINC000404153584 382405080 /nfs/dbraw/zinc/40/50/80/382405080.db2.gz NNVIRJMCMKIYTA-WDEREUQCSA-N 1 1 300.384 -0.520 10 0 DBAEMO C[C@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCS1 ZINC000171697139 382660274 /nfs/dbraw/zinc/66/02/74/382660274.db2.gz QAWCULMTZLOXPR-JTQLQIEISA-N 1 1 323.422 -0.129 10 0 DBAEMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173948763 382693915 /nfs/dbraw/zinc/69/39/15/382693915.db2.gz UMOHWMHXFHUGDZ-OAHLLOKOSA-N 1 1 321.425 -0.215 10 0 DBAEMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173948763 382693916 /nfs/dbraw/zinc/69/39/16/382693916.db2.gz UMOHWMHXFHUGDZ-OAHLLOKOSA-N 1 1 321.425 -0.215 10 0 DBAEMO C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363478988 392491020 /nfs/dbraw/zinc/49/10/20/392491020.db2.gz FANHWKVTEJFFEP-CQSZACIVSA-N 1 1 323.441 -0.362 10 0 DBAEMO CN(CCN1C(=O)CNC1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363478988 392491025 /nfs/dbraw/zinc/49/10/25/392491025.db2.gz FANHWKVTEJFFEP-CQSZACIVSA-N 1 1 323.441 -0.362 10 0 DBAEMO CN(CCN1C(=O)CNC1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363478988 392491029 /nfs/dbraw/zinc/49/10/29/392491029.db2.gz FANHWKVTEJFFEP-CQSZACIVSA-N 1 1 323.441 -0.362 10 0 DBAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC000157019874 392552988 /nfs/dbraw/zinc/55/29/88/392552988.db2.gz PWYUERHNQWCGNT-MNOVXSKESA-N 1 1 306.432 -0.437 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)C1 ZINC000408395049 392856276 /nfs/dbraw/zinc/85/62/76/392856276.db2.gz LUCQUILWOCOFQC-NEPJUHHUSA-N 1 1 321.381 -0.815 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)C1 ZINC000408395049 392856280 /nfs/dbraw/zinc/85/62/80/392856280.db2.gz LUCQUILWOCOFQC-NEPJUHHUSA-N 1 1 321.381 -0.815 10 0 DBAEMO Cc1cc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)n2ncnc2n1 ZINC000333912054 393366865 /nfs/dbraw/zinc/36/68/65/393366865.db2.gz LSEIJFNBOWFROH-LBPRGKRZSA-N 1 1 315.381 -0.167 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nn1C ZINC000408422597 412362658 /nfs/dbraw/zinc/36/26/58/412362658.db2.gz SKRJYPUTEIFERX-NEPJUHHUSA-N 1 1 305.382 0.362 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nn1C ZINC000408422599 412364268 /nfs/dbraw/zinc/36/42/68/412364268.db2.gz SKRJYPUTEIFERX-NWDGAFQWSA-N 1 1 305.382 0.362 10 0 DBAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000111690311 544419060 /nfs/dbraw/zinc/41/90/60/544419060.db2.gz PEPGUIWOGVFROA-AWEZNQCLSA-N 1 1 319.409 -0.028 10 0 DBAEMO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746649 544445504 /nfs/dbraw/zinc/44/55/04/544445504.db2.gz YWCAZCCAVCCICZ-HTQZYQBOSA-N 1 1 317.333 -0.479 10 0 DBAEMO CCS(=O)(=O)NCC[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746649 544445512 /nfs/dbraw/zinc/44/55/12/544445512.db2.gz YWCAZCCAVCCICZ-HTQZYQBOSA-N 1 1 317.333 -0.479 10 0 DBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000104919963 545037856 /nfs/dbraw/zinc/03/78/56/545037856.db2.gz CRODRJTXPYVRBD-CHWSQXEVSA-N 1 1 317.455 -0.485 10 0 DBAEMO CCNS(=O)(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000180925938 276267722 /nfs/dbraw/zinc/26/77/22/276267722.db2.gz VUCQLJAEJQBDDT-CYBMUJFWSA-N 1 1 304.460 -0.057 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1 ZINC000189473293 276595577 /nfs/dbraw/zinc/59/55/77/276595577.db2.gz JKRPSJPYTRWQCA-LBPRGKRZSA-N 1 1 309.370 -0.726 10 0 DBAEMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)C1 ZINC000408049415 277056537 /nfs/dbraw/zinc/05/65/37/277056537.db2.gz ZKCGVLBEXTXWAZ-KGYLQXTDSA-N 1 1 310.398 -0.833 10 0 DBAEMO C[C@](O)(CNC(=O)[C@H]1CCCCC(=O)N1)C[NH+]1CCOCC1 ZINC000333282658 278554660 /nfs/dbraw/zinc/55/46/60/278554660.db2.gz JVRAIAACMUGCDN-DOMZBBRYSA-N 1 1 313.398 -0.755 10 0 DBAEMO CC[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CC[N@H+]1C[C@H](C)O ZINC000408305117 288265838 /nfs/dbraw/zinc/26/58/38/288265838.db2.gz HFJIOGDMDKOJJK-AVGNSLFASA-N 1 1 312.414 -0.167 10 0 DBAEMO CC[C@H]1CN(C(=O)C2(O)CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000408320991 281128561 /nfs/dbraw/zinc/12/85/61/281128561.db2.gz PSOLFAZIDGUIMY-OLZOCXBDSA-N 1 1 300.399 -0.169 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1C ZINC000329181242 290091195 /nfs/dbraw/zinc/09/11/95/290091195.db2.gz DSIZXDPYWGPYEZ-RYUDHWBXSA-N 1 1 311.382 -0.561 10 0 DBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)NS(C)(=O)=O)[C@@H]2C1 ZINC000408062877 290235495 /nfs/dbraw/zinc/23/54/95/290235495.db2.gz OWZFVBLQCCCPPT-GHMZBOCLSA-N 1 1 319.427 -0.754 10 0 DBAEMO COCC(=O)NC1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000188398462 333045558 /nfs/dbraw/zinc/04/55/58/333045558.db2.gz FYVXYRGLJDDBSV-LLVKDONJSA-N 1 1 310.398 -0.373 10 0 DBAEMO C[C@H]1C(=O)NCCCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000189084339 333062998 /nfs/dbraw/zinc/06/29/98/333062998.db2.gz IYSRHIMQQGTAMR-ZDUSSCGKSA-N 1 1 318.425 -0.061 10 0 DBAEMO CCc1nnc([C@@H]2CN(CC(=O)N3CC[NH+](C)CC3)CCO2)o1 ZINC000333442900 522787948 /nfs/dbraw/zinc/78/79/48/522787948.db2.gz PZZBKEQNCYFJSM-LBPRGKRZSA-N 1 1 323.397 -0.221 10 0 DBAEMO CC[C@H]1CN(CC(=O)NCCCOC)CC[N@H+]1C[C@@H](C)O ZINC000105912715 523270801 /nfs/dbraw/zinc/27/08/01/523270801.db2.gz BOYYCNKAPMEGDB-KGLIPLIRSA-N 1 1 301.431 -0.084 10 0 DBAEMO C[N@H+]1CCN(CCNC(=O)N[C@@H]2CC[S@@](=O)C2)CC1(C)C ZINC000333081991 523901138 /nfs/dbraw/zinc/90/11/38/523901138.db2.gz MFXUPDBPXZBFAD-XUSGNXJCSA-N 1 1 316.471 -0.167 10 0 DBAEMO C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCCNC2=O)CC1(C)C ZINC000333032226 523901289 /nfs/dbraw/zinc/90/12/89/523901289.db2.gz CJOMYAARPQTMSX-GFCCVEGCSA-N 1 1 311.430 -0.410 10 0 DBAEMO C[N@H+]1CCN(CCNC(=O)N[C@H]2CC[S@@](=O)C2)CC1(C)C ZINC000333081989 523902174 /nfs/dbraw/zinc/90/21/74/523902174.db2.gz MFXUPDBPXZBFAD-LAJNKCICSA-N 1 1 316.471 -0.167 10 0 DBAEMO C[C@@H](C(N)=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000105894310 524308402 /nfs/dbraw/zinc/30/84/02/524308402.db2.gz ULHAOANXWBHPAO-UONOGXRCSA-N 1 1 307.394 -0.082 10 0 DBAEMO C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000334106798 524597547 /nfs/dbraw/zinc/59/75/47/524597547.db2.gz YPAVWDBBODFPDZ-QWHCGFSZSA-N 1 1 324.425 -0.104 10 0 DBAEMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000334106798 524597559 /nfs/dbraw/zinc/59/75/59/524597559.db2.gz YPAVWDBBODFPDZ-QWHCGFSZSA-N 1 1 324.425 -0.104 10 0 DBAEMO C[C@H]1CNCCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333667156 524692657 /nfs/dbraw/zinc/69/26/57/524692657.db2.gz MLLZXVURZAKXFA-WDEREUQCSA-N 1 1 323.363 -0.174 10 0 DBAEMO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3COCC[NH2+]3)cn2)CCO1 ZINC000246297014 525064974 /nfs/dbraw/zinc/06/49/74/525064974.db2.gz NSWYCCMSHUFHJP-TZMCWYRMSA-N 1 1 320.393 -0.089 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(Cc2nc(N)nc(N(C)C)n2)C[C@H]1C ZINC000106099674 525800552 /nfs/dbraw/zinc/80/05/52/525800552.db2.gz LEQVGTKCKZDKAX-GHMZBOCLSA-N 1 1 309.418 -0.593 10 0 DBAEMO CCn1nccc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408026783 535888114 /nfs/dbraw/zinc/88/81/14/535888114.db2.gz GVRZTICQYDUTOH-NEPJUHHUSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1nccc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408026783 535888118 /nfs/dbraw/zinc/88/81/18/535888118.db2.gz GVRZTICQYDUTOH-NEPJUHHUSA-N 1 1 314.411 -0.003 10 0 DBAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000408148557 536366628 /nfs/dbraw/zinc/36/66/28/536366628.db2.gz BYPGSODCCBQSSZ-VXGBXAGGSA-N 1 1 303.428 -0.132 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2c2nc(C)no2)[N@H+](C)C1 ZINC000329030932 665129146 /nfs/dbraw/zinc/12/91/46/665129146.db2.gz PPJLYCHQJWZZDD-SDDRHHMPSA-N 1 1 310.354 -0.003 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2c2nc(C)no2)[N@@H+](C)C1 ZINC000329030932 665129149 /nfs/dbraw/zinc/12/91/49/665129149.db2.gz PPJLYCHQJWZZDD-SDDRHHMPSA-N 1 1 310.354 -0.003 10 0 DBAEMO O=c1n2ccccc2nn1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172958969 674920927 /nfs/dbraw/zinc/92/09/27/674920927.db2.gz STWKNTSHXLAHRV-CYBMUJFWSA-N 1 1 303.366 -0.140 10 0 DBAEMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000261934770 671085349 /nfs/dbraw/zinc/08/53/49/671085349.db2.gz KEAUAILJKOUKGA-GFCCVEGCSA-N 1 1 304.350 -0.368 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC000896209641 671387020 /nfs/dbraw/zinc/38/70/20/671387020.db2.gz AQCOZYVXUMSICB-LLVKDONJSA-N 1 1 304.354 -0.347 10 0 DBAEMO O=C(C1C[NH+](C2CCOCC2)C1)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000897721737 672508853 /nfs/dbraw/zinc/50/88/53/672508853.db2.gz LEYOWSLLELVDJF-CYBMUJFWSA-N 1 1 321.381 -0.185 10 0 DBAEMO Nc1ccc(N[C@@H]2CCCN(C(=O)Cn3cnnn3)CC2)c[nH+]1 ZINC000328639834 412533542 /nfs/dbraw/zinc/53/35/42/412533542.db2.gz PRAMZWJWRJPUCL-LLVKDONJSA-N 1 1 316.369 0.144 10 0 DBAEMO O[C@]1(CN2CCN(c3ncnc4[nH]cnc43)CC2)CCC[NH2+]C1 ZINC000072459043 191172959 /nfs/dbraw/zinc/17/29/59/191172959.db2.gz YDRBLFFIBNIZDS-OAHLLOKOSA-N 1 1 317.397 -0.411 10 0 DBAEMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(n3cc(C(C)(C)O)nn3)C2)C1 ZINC000374801795 138178432 /nfs/dbraw/zinc/17/84/32/138178432.db2.gz OVUWBVXDIVXGID-LBPRGKRZSA-N 1 1 323.397 -0.391 10 0 DBAEMO CC[N@H+]1CCO[C@H](C(=O)N2CC(n3cc(C(C)(C)O)nn3)C2)C1 ZINC000374801795 138178433 /nfs/dbraw/zinc/17/84/33/138178433.db2.gz OVUWBVXDIVXGID-LBPRGKRZSA-N 1 1 323.397 -0.391 10 0 DBAEMO C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1N1CCOCC1 ZINC000407951020 138199903 /nfs/dbraw/zinc/19/99/03/138199903.db2.gz VNTNLNVGTXMTAL-KGLIPLIRSA-N 1 1 319.471 -0.080 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000378309783 138198297 /nfs/dbraw/zinc/19/82/97/138198297.db2.gz BRURJZSJYLJVDX-GJZGRUSLSA-N 1 1 319.409 -0.500 10 0 DBAEMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1C[N@H+]3CCN1CCC3)CC2 ZINC000408028025 138203380 /nfs/dbraw/zinc/20/33/80/138203380.db2.gz CDYJWEIKRQGVDV-QWHCGFSZSA-N 1 1 318.425 -0.339 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](n2cncn2)C1 ZINC000408031114 138203648 /nfs/dbraw/zinc/20/36/48/138203648.db2.gz KPSJIFUZAXIUCN-ZIAGYGMSSA-N 1 1 304.398 -0.169 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](n2cncn2)C1 ZINC000408031112 138203933 /nfs/dbraw/zinc/20/39/33/138203933.db2.gz KPSJIFUZAXIUCN-UONOGXRCSA-N 1 1 304.398 -0.169 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408035367 138204041 /nfs/dbraw/zinc/20/40/41/138204041.db2.gz XLMIOZZCVYBUMG-XJKSGUPXSA-N 1 1 306.410 -0.495 10 0 DBAEMO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)cn1 ZINC000408032962 138204054 /nfs/dbraw/zinc/20/40/54/138204054.db2.gz FTKRSLPJXQUBMG-CABCVRRESA-N 1 1 319.409 -0.290 10 0 DBAEMO Cc1nnc([C@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)[nH]1 ZINC000408033573 138204062 /nfs/dbraw/zinc/20/40/62/138204062.db2.gz NWUOBJDBEJBVKX-CHWSQXEVSA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc([C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CCO2)n[nH]1 ZINC000408033573 138204063 /nfs/dbraw/zinc/20/40/63/138204063.db2.gz NWUOBJDBEJBVKX-CHWSQXEVSA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc([C@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)n[nH]1 ZINC000408033573 138204065 /nfs/dbraw/zinc/20/40/65/138204065.db2.gz NWUOBJDBEJBVKX-CHWSQXEVSA-N 1 1 320.397 -0.597 10 0 DBAEMO Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408033130 138204099 /nfs/dbraw/zinc/20/40/99/138204099.db2.gz IBKJZIKECUGGJV-OLZOCXBDSA-N 1 1 304.398 -0.072 10 0 DBAEMO O=C1CNC(=O)N1CC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408046810 138204715 /nfs/dbraw/zinc/20/47/15/138204715.db2.gz YGGXIDODIZBEAX-JHJVBQTASA-N 1 1 311.382 -0.210 10 0 DBAEMO O=C1CNC(=O)N1CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408046810 138204717 /nfs/dbraw/zinc/20/47/17/138204717.db2.gz YGGXIDODIZBEAX-JHJVBQTASA-N 1 1 311.382 -0.210 10 0 DBAEMO Cc1cnn(C)c1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408072749 138205886 /nfs/dbraw/zinc/20/58/86/138205886.db2.gz SIOWGUSYIUANJL-NEPJUHHUSA-N 1 1 314.411 -0.178 10 0 DBAEMO Cc1cnn(C)c1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408072749 138205888 /nfs/dbraw/zinc/20/58/88/138205888.db2.gz SIOWGUSYIUANJL-NEPJUHHUSA-N 1 1 314.411 -0.178 10 0 DBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC000408065718 138205895 /nfs/dbraw/zinc/20/58/95/138205895.db2.gz PYMLZTBIAZVNRG-NWDGAFQWSA-N 1 1 324.381 -0.750 10 0 DBAEMO C[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000408113209 138207873 /nfs/dbraw/zinc/20/78/73/138207873.db2.gz QXIAGEZVHBQFOQ-BONVTDFDSA-N 1 1 308.382 -0.131 10 0 DBAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000408113209 138207875 /nfs/dbraw/zinc/20/78/75/138207875.db2.gz QXIAGEZVHBQFOQ-BONVTDFDSA-N 1 1 308.382 -0.131 10 0 DBAEMO COc1c(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(C)nn1C ZINC000408404465 138217971 /nfs/dbraw/zinc/21/79/71/138217971.db2.gz ZEDREOPPEHKCDT-CQSZACIVSA-N 1 1 307.354 -0.089 10 0 DBAEMO COc1c(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(C)nn1C ZINC000408404465 138217972 /nfs/dbraw/zinc/21/79/72/138217972.db2.gz ZEDREOPPEHKCDT-CQSZACIVSA-N 1 1 307.354 -0.089 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000408435288 138218793 /nfs/dbraw/zinc/21/87/93/138218793.db2.gz MHOMMJGJVLZYLE-GHMZBOCLSA-N 1 1 304.416 -0.457 10 0 DBAEMO C[N@H+]1CCN(CCNC(=O)N2CCO[C@@H](CO)C2)CC1(C)C ZINC000408429841 138218834 /nfs/dbraw/zinc/21/88/34/138218834.db2.gz ZUYQUBXXBREWKR-CYBMUJFWSA-N 1 1 314.430 -0.585 10 0 DBAEMO CCC[C@@H](NC(N)=O)C(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000127447946 283567758 /nfs/dbraw/zinc/56/77/58/283567758.db2.gz HFVBBCBRWIHZQY-VXGBXAGGSA-N 1 1 300.403 -0.262 10 0 DBAEMO Cc1nc(C[N@@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n(C)n1 ZINC000091757037 193102961 /nfs/dbraw/zinc/10/29/61/193102961.db2.gz SNWYEFJHYRRGAU-HNNXBMFYSA-N 1 1 307.398 -0.070 10 0 DBAEMO Cc1nc(C[N@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)n(C)n1 ZINC000091757037 193102963 /nfs/dbraw/zinc/10/29/63/193102963.db2.gz SNWYEFJHYRRGAU-HNNXBMFYSA-N 1 1 307.398 -0.070 10 0 DBAEMO C[N@@H+](CC(=O)NC1CCCCC1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643586087 374283662 /nfs/dbraw/zinc/28/36/62/374283662.db2.gz YMLOJTPNMDKPFZ-KYOSRNDESA-N 1 1 300.399 -0.265 10 0 DBAEMO C[N@H+](CC(=O)NC1CCCCC1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000643586087 374283671 /nfs/dbraw/zinc/28/36/71/374283671.db2.gz YMLOJTPNMDKPFZ-KYOSRNDESA-N 1 1 300.399 -0.265 10 0 DBAEMO CO[C@@H]1COC[C@@H](CNC(=O)C[N@@H+](C)C2CCCC2)[C@@H]1O ZINC000643585427 374284484 /nfs/dbraw/zinc/28/44/84/374284484.db2.gz JOFAVBMVFSDPTQ-KYOSRNDESA-N 1 1 300.399 -0.001 10 0 DBAEMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]3C2)s1 ZINC000014537231 374365513 /nfs/dbraw/zinc/36/55/13/374365513.db2.gz HEWDIQHZDATWGJ-RTXFEEFZSA-N 1 1 323.418 -0.051 10 0 DBAEMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]3C2)s1 ZINC000014537231 374365524 /nfs/dbraw/zinc/36/55/24/374365524.db2.gz HEWDIQHZDATWGJ-RTXFEEFZSA-N 1 1 323.418 -0.051 10 0 DBAEMO COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(C)(C)C ZINC000013594055 374353673 /nfs/dbraw/zinc/35/36/73/374353673.db2.gz IUFFLARXVMCHAA-NSHDSACASA-N 1 1 313.398 -0.146 10 0 DBAEMO COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(C)(C)C ZINC000013594055 374353678 /nfs/dbraw/zinc/35/36/78/374353678.db2.gz IUFFLARXVMCHAA-NSHDSACASA-N 1 1 313.398 -0.146 10 0 DBAEMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247176363 374415615 /nfs/dbraw/zinc/41/56/15/374415615.db2.gz RMFUFOSOKHCMKG-WCQYABFASA-N 1 1 310.398 -0.230 10 0 DBAEMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247176363 374415624 /nfs/dbraw/zinc/41/56/24/374415624.db2.gz RMFUFOSOKHCMKG-WCQYABFASA-N 1 1 310.398 -0.230 10 0 DBAEMO CNS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000408044344 374692456 /nfs/dbraw/zinc/69/24/56/374692456.db2.gz UMIOWGHOGUMSBP-UPJWGTAASA-N 1 1 306.428 -0.213 10 0 DBAEMO CNS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000408044344 374692462 /nfs/dbraw/zinc/69/24/62/374692462.db2.gz UMIOWGHOGUMSBP-UPJWGTAASA-N 1 1 306.428 -0.213 10 0 DBAEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408058787 374694128 /nfs/dbraw/zinc/69/41/28/374694128.db2.gz DRSFCRHFTXRPTA-IJLUTSLNSA-N 1 1 310.398 -0.704 10 0 DBAEMO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCNC(=O)CC1 ZINC000103470681 374900477 /nfs/dbraw/zinc/90/04/77/374900477.db2.gz HDUAWLRFUTWLGT-UHFFFAOYSA-N 1 1 310.379 -0.003 10 0 DBAEMO NC(=O)c1ccsc1NC(=O)CC[N@H+]1CCNC(=O)CC1 ZINC000103470681 374900480 /nfs/dbraw/zinc/90/04/80/374900480.db2.gz HDUAWLRFUTWLGT-UHFFFAOYSA-N 1 1 310.379 -0.003 10 0 DBAEMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863010 374911637 /nfs/dbraw/zinc/91/16/37/374911637.db2.gz YEOBIYAIFBEART-GFCCVEGCSA-N 1 1 322.413 -0.137 10 0 DBAEMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863010 374911640 /nfs/dbraw/zinc/91/16/40/374911640.db2.gz YEOBIYAIFBEART-GFCCVEGCSA-N 1 1 322.413 -0.137 10 0 DBAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)NC(N)=O)CC2)cn1 ZINC000105828808 374911797 /nfs/dbraw/zinc/91/17/97/374911797.db2.gz AKMBYVMHFXPZJJ-GFCCVEGCSA-N 1 1 322.413 -0.006 10 0 DBAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)NC(N)=O)CC2)cn1 ZINC000105828808 374911802 /nfs/dbraw/zinc/91/18/02/374911802.db2.gz AKMBYVMHFXPZJJ-GFCCVEGCSA-N 1 1 322.413 -0.006 10 0 DBAEMO Cn1cc([C@@H]2CC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)cn1 ZINC000116322953 374984762 /nfs/dbraw/zinc/98/47/62/374984762.db2.gz HVYZBBMOJGJSAX-CYBMUJFWSA-N 1 1 319.409 -0.052 10 0 DBAEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)cn1 ZINC000116322953 374984769 /nfs/dbraw/zinc/98/47/69/374984769.db2.gz HVYZBBMOJGJSAX-CYBMUJFWSA-N 1 1 319.409 -0.052 10 0 DBAEMO CNC(=O)C[NH+]1CCC(NC(=O)NCCn2cc(C)cn2)CC1 ZINC000118060583 375003070 /nfs/dbraw/zinc/00/30/70/375003070.db2.gz STEUGKMNHDJWGI-UHFFFAOYSA-N 1 1 322.413 -0.299 10 0 DBAEMO CC(C)[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N1CCOCC1 ZINC000408411704 375096644 /nfs/dbraw/zinc/09/66/44/375096644.db2.gz JZCGHBRZJQIXLE-CHWSQXEVSA-N 1 1 313.398 -0.683 10 0 DBAEMO CC(C)[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N1CCOCC1 ZINC000408411704 375096648 /nfs/dbraw/zinc/09/66/48/375096648.db2.gz JZCGHBRZJQIXLE-CHWSQXEVSA-N 1 1 313.398 -0.683 10 0 DBAEMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000247994449 375059387 /nfs/dbraw/zinc/05/93/87/375059387.db2.gz MFNFNJHISPVIQU-NWDGAFQWSA-N 1 1 310.398 -0.737 10 0 DBAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000247994449 375059391 /nfs/dbraw/zinc/05/93/91/375059391.db2.gz MFNFNJHISPVIQU-NWDGAFQWSA-N 1 1 310.398 -0.737 10 0 DBAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000178287698 375511215 /nfs/dbraw/zinc/51/12/15/375511215.db2.gz KVNSSOXVOMARJW-ZDUSSCGKSA-N 1 1 305.382 -0.386 10 0 DBAEMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000192021007 375614527 /nfs/dbraw/zinc/61/45/27/375614527.db2.gz NEYHMNRQEWQZFP-GRYCIOLGSA-N 1 1 303.428 -0.039 10 0 DBAEMO Cn1cc[nH+]c1CC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000161841803 376435274 /nfs/dbraw/zinc/43/52/74/376435274.db2.gz TURBZSSADHTXFN-NSHDSACASA-N 1 1 319.365 -0.201 10 0 DBAEMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3nnnn3C)CC2)C1 ZINC000365694688 376813471 /nfs/dbraw/zinc/81/34/71/376813471.db2.gz FIBMUPIOWHQMRV-GFCCVEGCSA-N 1 1 323.401 -0.984 10 0 DBAEMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3nnnn3C)CC2)C1 ZINC000365694688 376813478 /nfs/dbraw/zinc/81/34/78/376813478.db2.gz FIBMUPIOWHQMRV-GFCCVEGCSA-N 1 1 323.401 -0.984 10 0 DBAEMO C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000189277022 296260459 /nfs/dbraw/zinc/26/04/59/296260459.db2.gz KDKWDVAYSLFPPN-NEPJUHHUSA-N 1 1 303.428 -0.132 10 0 DBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000189277022 296260460 /nfs/dbraw/zinc/26/04/60/296260460.db2.gz KDKWDVAYSLFPPN-NEPJUHHUSA-N 1 1 303.428 -0.132 10 0 DBAEMO C[C@H](O)CN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@@H]1C ZINC000367054239 377459252 /nfs/dbraw/zinc/45/92/52/377459252.db2.gz WLIIUMOAAXGWAL-SOUVJXGZSA-N 1 1 310.442 -0.710 10 0 DBAEMO Cn1ncc(Br)c1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000638876646 378151728 /nfs/dbraw/zinc/15/17/28/378151728.db2.gz NGJZYMSTJBOCOO-QMMMGPOBSA-N 1 1 303.160 -0.213 10 0 DBAEMO C[NH+]1CCN(C(=O)CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000328957916 378197055 /nfs/dbraw/zinc/19/70/55/378197055.db2.gz JPPMGIRVVZLHRO-RBSFLKMASA-N 1 1 311.426 -0.378 10 0 DBAEMO C[C@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)C[NH+]1CCOCC1 ZINC000191452927 378326301 /nfs/dbraw/zinc/32/63/01/378326301.db2.gz LIWIKHPPYZQCDE-OLZOCXBDSA-N 1 1 312.414 -0.125 10 0 DBAEMO CCN1CCN(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C(=O)C1=O ZINC000113222903 378363732 /nfs/dbraw/zinc/36/37/32/378363732.db2.gz DNWCUWLDSNGPRC-QWHCGFSZSA-N 1 1 322.409 -0.628 10 0 DBAEMO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000329281384 378472969 /nfs/dbraw/zinc/47/29/69/378472969.db2.gz ADGOYPNTSJLOCT-MRVWCRGKSA-N 1 1 321.381 -0.215 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@H]1C ZINC000248571662 378438341 /nfs/dbraw/zinc/43/83/41/378438341.db2.gz CSKGHKSNCJCDEK-AGIUHOORSA-N 1 1 322.413 -0.311 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CC1 ZINC000329585060 378490759 /nfs/dbraw/zinc/49/07/59/378490759.db2.gz RAZKVXCUQJMBPJ-LXTVHRRPSA-N 1 1 312.410 -0.047 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C ZINC000248594475 378518690 /nfs/dbraw/zinc/51/86/90/378518690.db2.gz HVUCFCNQGBHRRK-RWMBFGLXSA-N 1 1 324.425 -0.154 10 0 DBAEMO C[C@@H](C(=O)N1CCC[C@@](O)(C(N)=O)C1)[NH+]1CCSCC1 ZINC000367574780 378584223 /nfs/dbraw/zinc/58/42/23/378584223.db2.gz XELOHTFIBHDQPV-GWCFXTLKSA-N 1 1 301.412 -0.738 10 0 DBAEMO Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)n1 ZINC000168102948 378593464 /nfs/dbraw/zinc/59/34/64/378593464.db2.gz AIHAPINAXZJJEG-PWSUYJOCSA-N 1 1 309.370 -0.428 10 0 DBAEMO C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4CO)ncn3)C[C@H]21 ZINC000301669332 378602916 /nfs/dbraw/zinc/60/29/16/378602916.db2.gz PTRCEIOGMXVADG-BFHYXJOUSA-N 1 1 319.409 -0.043 10 0 DBAEMO CN(C)C(=O)CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115786928 379513613 /nfs/dbraw/zinc/51/36/13/379513613.db2.gz UORVHFZLWVJVTD-UHFFFAOYSA-N 1 1 322.413 -0.274 10 0 DBAEMO CN(C)C(=O)CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115786928 379513623 /nfs/dbraw/zinc/51/36/23/379513623.db2.gz UORVHFZLWVJVTD-UHFFFAOYSA-N 1 1 322.413 -0.274 10 0 DBAEMO CN1CCN(C(=O)CCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171900761 379695520 /nfs/dbraw/zinc/69/55/20/379695520.db2.gz YGFGENSQPKRDRZ-AWEZNQCLSA-N 1 1 323.441 -0.360 10 0 DBAEMO COCCCS(=O)(=O)NCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000175207146 379713976 /nfs/dbraw/zinc/71/39/76/379713976.db2.gz VUDJXEUOGDIATA-CYBMUJFWSA-N 1 1 305.444 -0.278 10 0 DBAEMO C[C@@H]1CN(Cc2nc(N)nc(N(C)C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177248000 379725271 /nfs/dbraw/zinc/72/52/71/379725271.db2.gz OMOFPHNDTRFELJ-NEPJUHHUSA-N 1 1 321.429 -0.328 10 0 DBAEMO CCOCC[NH+]1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183776187 379755415 /nfs/dbraw/zinc/75/54/15/379755415.db2.gz BBAVCSAMSYXEFV-UHFFFAOYSA-N 1 1 312.414 -0.124 10 0 DBAEMO CCn1c(N)c(C(=O)CN2CC[N@H+]3CCC[C@@H]3C2)c(=O)[nH]c1=O ZINC000178634633 379733319 /nfs/dbraw/zinc/73/33/19/379733319.db2.gz DYLFGTSYANOADM-SNVBAGLBSA-N 1 1 321.381 -0.899 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000181429950 379748931 /nfs/dbraw/zinc/74/89/31/379748931.db2.gz DBQMGNVLMYMVHC-NSHDSACASA-N 1 1 308.386 -0.077 10 0 DBAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CN2CSCC2=O)cn1 ZINC000181390340 379749885 /nfs/dbraw/zinc/74/98/85/379749885.db2.gz CEINBYJOAWHTTC-NSHDSACASA-N 1 1 309.395 -0.574 10 0 DBAEMO Cc1nc(CN2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)no1 ZINC000174774526 379712026 /nfs/dbraw/zinc/71/20/26/379712026.db2.gz ZFYYWTAHFSELFF-CYBMUJFWSA-N 1 1 323.397 -0.257 10 0 DBAEMO Cc1nc(CN2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)no1 ZINC000174774526 379712033 /nfs/dbraw/zinc/71/20/33/379712033.db2.gz ZFYYWTAHFSELFF-CYBMUJFWSA-N 1 1 323.397 -0.257 10 0 DBAEMO COCc1ccc(CNC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185145944 379758711 /nfs/dbraw/zinc/75/87/11/379758711.db2.gz KOMAQWPTDAAABX-HUUCEWRRSA-N 1 1 308.378 -0.123 10 0 DBAEMO COCc1ccc(CNC(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185145944 379758717 /nfs/dbraw/zinc/75/87/17/379758717.db2.gz KOMAQWPTDAAABX-HUUCEWRRSA-N 1 1 308.378 -0.123 10 0 DBAEMO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185188021 379760811 /nfs/dbraw/zinc/76/08/11/379760811.db2.gz YVUBWXFMDQEVTN-ZIAGYGMSSA-N 1 1 308.378 -0.219 10 0 DBAEMO COc1ccccc1CCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185188021 379760816 /nfs/dbraw/zinc/76/08/16/379760816.db2.gz YVUBWXFMDQEVTN-ZIAGYGMSSA-N 1 1 308.378 -0.219 10 0 DBAEMO CCc1nc2n(n1)C[C@H](NC(=O)NCC[N@@H+](CC)CCO)CC2 ZINC000187289236 379766734 /nfs/dbraw/zinc/76/67/34/379766734.db2.gz GXKYBQAKNUMAIQ-GFCCVEGCSA-N 1 1 324.429 -0.231 10 0 DBAEMO Cc1cc(N2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000187207932 379767770 /nfs/dbraw/zinc/76/77/70/379767770.db2.gz JKVGQSVGDWBHIA-UHFFFAOYSA-N 1 1 306.414 -0.386 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188837203 379775481 /nfs/dbraw/zinc/77/54/81/379775481.db2.gz DSCYHXLWKVMJCG-UHFFFAOYSA-N 1 1 312.414 -0.125 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000137077264 379922764 /nfs/dbraw/zinc/92/27/64/379922764.db2.gz RNTYGAFTOJUBNW-VXGBXAGGSA-N 1 1 308.382 -0.348 10 0 DBAEMO CN(C)CC[NH+]1CCC(NC(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000124164592 379886718 /nfs/dbraw/zinc/88/67/18/379886718.db2.gz SPHRFPBDFVVFKW-UHFFFAOYSA-N 1 1 309.414 -0.263 10 0 DBAEMO O=S(=O)(c1cncc(F)c1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404159314 379902842 /nfs/dbraw/zinc/90/28/42/379902842.db2.gz PVMKNXLVTVOQSC-NWDGAFQWSA-N 1 1 301.343 -0.028 10 0 DBAEMO CN1C(=O)C[C@H](N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000245679751 379939309 /nfs/dbraw/zinc/93/93/09/379939309.db2.gz HAADAELZBQVPPN-IXXDHKBRSA-N 1 1 320.437 -0.014 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246251597 380083133 /nfs/dbraw/zinc/08/31/33/380083133.db2.gz OBSBZUREMOOZLG-WCQYABFASA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+]1C[C@H](C)O ZINC000246251597 380083138 /nfs/dbraw/zinc/08/31/38/380083138.db2.gz OBSBZUREMOOZLG-WCQYABFASA-N 1 1 323.397 -0.338 10 0 DBAEMO CC(=O)NCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000066932165 380086407 /nfs/dbraw/zinc/08/64/07/380086407.db2.gz LBSIKFBXRLBPIU-UHFFFAOYSA-N 1 1 324.425 -0.475 10 0 DBAEMO CCCNC(=O)NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000247077365 380103192 /nfs/dbraw/zinc/10/31/92/380103192.db2.gz GVMFUIBJLZJOPI-OLZOCXBDSA-N 1 1 314.430 -0.001 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000247710015 380108394 /nfs/dbraw/zinc/10/83/94/380108394.db2.gz RNTYGAFTOJUBNW-RYUDHWBXSA-N 1 1 308.382 -0.348 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@@H]1C ZINC000248605760 380110025 /nfs/dbraw/zinc/11/00/25/380110025.db2.gz JVQFABMZFQCMQB-RYUDHWBXSA-N 1 1 312.414 -0.391 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2nccn(C)c2=O)C[C@@H]1C ZINC000248622821 380111269 /nfs/dbraw/zinc/11/12/69/380111269.db2.gz NKOCPXOFAHMNAZ-QWRGUYRKSA-N 1 1 309.370 -0.301 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@H]1C ZINC000248605756 380111549 /nfs/dbraw/zinc/11/15/49/380111549.db2.gz JVQFABMZFQCMQB-NEPJUHHUSA-N 1 1 312.414 -0.391 10 0 DBAEMO COCC[N@@H+](C)CCCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000077793348 380127116 /nfs/dbraw/zinc/12/71/16/380127116.db2.gz YRBFUTJFXCBFIF-AWEZNQCLSA-N 1 1 316.446 -0.025 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000328981141 296319850 /nfs/dbraw/zinc/31/98/50/296319850.db2.gz RRJAEXBYFBEAEK-TUVASFSCSA-N 1 1 312.410 -0.169 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000328981141 296319852 /nfs/dbraw/zinc/31/98/52/296319852.db2.gz RRJAEXBYFBEAEK-TUVASFSCSA-N 1 1 312.410 -0.169 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@@H+]1C[C@H](C)O ZINC000246467806 381584988 /nfs/dbraw/zinc/58/49/88/381584988.db2.gz PTQJBGLJJRZSQV-NWDGAFQWSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C)CC[N@H+]1C[C@H](C)O ZINC000246467806 381584994 /nfs/dbraw/zinc/58/49/94/381584994.db2.gz PTQJBGLJJRZSQV-NWDGAFQWSA-N 1 1 323.397 -0.338 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000247194350 381594889 /nfs/dbraw/zinc/59/48/89/381594889.db2.gz WTSPBPUEVFWNLT-RYUDHWBXSA-N 1 1 306.366 -0.066 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000247194350 381594900 /nfs/dbraw/zinc/59/49/00/381594900.db2.gz WTSPBPUEVFWNLT-RYUDHWBXSA-N 1 1 306.366 -0.066 10 0 DBAEMO CC(=O)Nc1ccc(CNC(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)O)cc1 ZINC000065376543 184331286 /nfs/dbraw/zinc/33/12/86/184331286.db2.gz WGNYHLYNVDSGJE-OTYXRUKQSA-N 1 1 322.365 -0.915 10 0 DBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC(=O)N1CCOCC1 ZINC000179779428 381998601 /nfs/dbraw/zinc/99/86/01/381998601.db2.gz LFEGSTQSCKYHKT-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCCC(=O)N(C)C)CC1 ZINC000184957032 382105577 /nfs/dbraw/zinc/10/55/77/382105577.db2.gz WHJRNKIJYYBCRR-ZDUSSCGKSA-N 1 1 314.430 -0.047 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000182154318 382076801 /nfs/dbraw/zinc/07/68/01/382076801.db2.gz SKMUKLHYUAIHDR-CYBMUJFWSA-N 1 1 312.414 -0.389 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)Nc2nccn(C)c2=O)C[C@@H]1C ZINC000183826923 382097911 /nfs/dbraw/zinc/09/79/11/382097911.db2.gz LYDFBUGRFSXEMM-NSHDSACASA-N 1 1 309.370 -0.035 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)Nc2nccn(C)c2=O)C[C@@H]1C ZINC000183826923 382097917 /nfs/dbraw/zinc/09/79/17/382097917.db2.gz LYDFBUGRFSXEMM-NSHDSACASA-N 1 1 309.370 -0.035 10 0 DBAEMO CCOCCNC(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299742193 382617545 /nfs/dbraw/zinc/61/75/45/382617545.db2.gz IOZFGAXZHLFMCR-RKDXNWHRSA-N 1 1 311.304 -0.265 10 0 DBAEMO CCOCCNC(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299742193 382617548 /nfs/dbraw/zinc/61/75/48/382617548.db2.gz IOZFGAXZHLFMCR-RKDXNWHRSA-N 1 1 311.304 -0.265 10 0 DBAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000131580852 382627937 /nfs/dbraw/zinc/62/79/37/382627937.db2.gz VAQZMQMZVKTRHM-CABCVRRESA-N 1 1 311.426 -0.376 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NCC(=O)N2CCCC2)C[C@@H]1C ZINC000245836953 382693889 /nfs/dbraw/zinc/69/38/89/382693889.db2.gz BKYWTNYMFGPAQX-STQMWFEESA-N 1 1 312.414 -0.295 10 0 DBAEMO Cc1cnn(C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)c1 ZINC000174805833 382695359 /nfs/dbraw/zinc/69/53/59/382695359.db2.gz XEFACEKZXFAUBK-ZIAGYGMSSA-N 1 1 308.382 -0.250 10 0 DBAEMO Cc1cnn(C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)c1 ZINC000174805833 382695360 /nfs/dbraw/zinc/69/53/60/382695360.db2.gz XEFACEKZXFAUBK-ZIAGYGMSSA-N 1 1 308.382 -0.250 10 0 DBAEMO Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)c1 ZINC000174805825 382695385 /nfs/dbraw/zinc/69/53/85/382695385.db2.gz XEFACEKZXFAUBK-UONOGXRCSA-N 1 1 308.382 -0.250 10 0 DBAEMO Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)c1 ZINC000174805825 382695386 /nfs/dbraw/zinc/69/53/86/382695386.db2.gz XEFACEKZXFAUBK-UONOGXRCSA-N 1 1 308.382 -0.250 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000246581356 382695649 /nfs/dbraw/zinc/69/56/49/382695649.db2.gz ABLMNKJBKNVDFD-AGIUHOORSA-N 1 1 312.414 -0.309 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000246581356 382695650 /nfs/dbraw/zinc/69/56/50/382695650.db2.gz ABLMNKJBKNVDFD-AGIUHOORSA-N 1 1 312.414 -0.309 10 0 DBAEMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246786337 382696492 /nfs/dbraw/zinc/69/64/92/382696492.db2.gz ADBABQCBVVXFFU-OWCLPIDISA-N 1 1 314.426 -0.051 10 0 DBAEMO Cn1cc(C[N@H+]2C[C@@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)cn1 ZINC000248085543 257109906 /nfs/dbraw/zinc/10/99/06/257109906.db2.gz BDDGSUWJOAYXJR-JHJVBQTASA-N 1 1 314.411 -0.584 10 0 DBAEMO CN(C)S(=O)(=O)N1C[C@H]2C[N@@H+](CC3CC3)CCO[C@H]2C1 ZINC000247919159 257115591 /nfs/dbraw/zinc/11/55/91/257115591.db2.gz BUMXTKDCPAHXCF-OLZOCXBDSA-N 1 1 303.428 -0.165 10 0 DBAEMO Cn1ccnc1[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C ZINC000276801563 257257557 /nfs/dbraw/zinc/25/75/57/257257557.db2.gz WGSAJYKQPNQPCM-STQMWFEESA-N 1 1 307.398 -0.434 10 0 DBAEMO Cn1ccnc1[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C ZINC000276801563 257257558 /nfs/dbraw/zinc/25/75/58/257257558.db2.gz WGSAJYKQPNQPCM-STQMWFEESA-N 1 1 307.398 -0.434 10 0 DBAEMO CCN1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000181334459 285360330 /nfs/dbraw/zinc/36/03/30/285360330.db2.gz VQABLWZIDPUACE-KGLIPLIRSA-N 1 1 307.398 -0.386 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@H]1C ZINC000247358948 392474363 /nfs/dbraw/zinc/47/43/63/392474363.db2.gz MEYCHJKBELLKAM-OLZOCXBDSA-N 1 1 322.413 -0.045 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@H]1C ZINC000247358948 392474365 /nfs/dbraw/zinc/47/43/65/392474365.db2.gz MEYCHJKBELLKAM-OLZOCXBDSA-N 1 1 322.413 -0.045 10 0 DBAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@@H](C)C1 ZINC000157020014 392552831 /nfs/dbraw/zinc/55/28/31/392552831.db2.gz PWYUERHNQWCGNT-QWRGUYRKSA-N 1 1 306.432 -0.437 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000248366755 392566102 /nfs/dbraw/zinc/56/61/02/392566102.db2.gz SNGJOOSOZRICMC-ZIAGYGMSSA-N 1 1 308.426 -0.120 10 0 DBAEMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408040145 392691289 /nfs/dbraw/zinc/69/12/89/392691289.db2.gz DJTBQQALYXSFOK-AXFHLTTASA-N 1 1 311.386 -0.293 10 0 DBAEMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408040145 392691294 /nfs/dbraw/zinc/69/12/94/392691294.db2.gz DJTBQQALYXSFOK-AXFHLTTASA-N 1 1 311.386 -0.293 10 0 DBAEMO CC[C@H]1CN(C(=O)C2(O)CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000408320997 392839944 /nfs/dbraw/zinc/83/99/44/392839944.db2.gz PSOLFAZIDGUIMY-STQMWFEESA-N 1 1 300.399 -0.169 10 0 DBAEMO CCC[N@H+]1CC[C@H](CNC(=O)N2CC(NC(=O)COC)C2)C1 ZINC000188492301 392825792 /nfs/dbraw/zinc/82/57/92/392825792.db2.gz VQRDTSCTPUJYTK-GFCCVEGCSA-N 1 1 312.414 -0.125 10 0 DBAEMO CN(C)C(=O)CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000408269647 392835147 /nfs/dbraw/zinc/83/51/47/392835147.db2.gz KZWJALBRFDFSBL-GFCCVEGCSA-N 1 1 310.398 -0.770 10 0 DBAEMO NC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000040854909 132143766 /nfs/dbraw/zinc/14/37/66/132143766.db2.gz KBXHIQKEGBGQPG-VIFPVBQESA-N 1 1 310.379 -0.765 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000175001975 393481386 /nfs/dbraw/zinc/48/13/86/393481386.db2.gz ILORIBNAQQMQED-WDEREUQCSA-N 1 1 306.370 -0.538 10 0 DBAEMO Cc1nnc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C ZINC000123612127 393503840 /nfs/dbraw/zinc/50/38/40/393503840.db2.gz YPCLLGOFIIRGNX-CYBMUJFWSA-N 1 1 306.414 -0.138 10 0 DBAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC000247383277 393593649 /nfs/dbraw/zinc/59/36/49/393593649.db2.gz PWYUERHNQWCGNT-GHMZBOCLSA-N 1 1 306.432 -0.437 10 0 DBAEMO CO[C@H]1C[C@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)N(C(C)=O)C1 ZINC000408274440 286103080 /nfs/dbraw/zinc/10/30/80/286103080.db2.gz YYUQBKYNUMDOBO-KWCYVHTRSA-N 1 1 313.398 -0.853 10 0 DBAEMO CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)N(C(C)=O)C1 ZINC000408274440 286103083 /nfs/dbraw/zinc/10/30/83/286103083.db2.gz YYUQBKYNUMDOBO-KWCYVHTRSA-N 1 1 313.398 -0.853 10 0 DBAEMO COCCCS(=O)(=O)NCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193598607 292374158 /nfs/dbraw/zinc/37/41/58/292374158.db2.gz LBRRPZDZPMNIER-BETUJISGSA-N 1 1 305.444 -0.564 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(=O)N2CCCC2)C[C@@H]1C ZINC000180753587 287090073 /nfs/dbraw/zinc/09/00/73/287090073.db2.gz BKYWTNYMFGPAQX-QWHCGFSZSA-N 1 1 312.414 -0.295 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CC[N@H+]1C[C@@H](C)O ZINC000408305118 287154880 /nfs/dbraw/zinc/15/48/80/287154880.db2.gz HFJIOGDMDKOJJK-UPJWGTAASA-N 1 1 312.414 -0.167 10 0 DBAEMO C[C@@H]1C(=O)NCCC[N@H+]1C/C=C/CN1CCCNC(=O)[C@@H]1C ZINC000189271940 287179583 /nfs/dbraw/zinc/17/95/83/287179583.db2.gz WRBIDYJUZGWQDL-ISANGGDFSA-N 1 1 308.426 -0.037 10 0 DBAEMO C[C@@H]1C(=O)NCCC[N@@H+]1C/C=C/CN1CCCNC(=O)[C@@H]1C ZINC000189271940 287179587 /nfs/dbraw/zinc/17/95/87/287179587.db2.gz WRBIDYJUZGWQDL-ISANGGDFSA-N 1 1 308.426 -0.037 10 0 DBAEMO C[C@@H]1C(=O)NCCCN1C/C=C/C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189271940 287179592 /nfs/dbraw/zinc/17/95/92/287179592.db2.gz WRBIDYJUZGWQDL-ISANGGDFSA-N 1 1 308.426 -0.037 10 0 DBAEMO C[C@@H]1C(=O)NCCCN1C/C=C/C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189271940 287179594 /nfs/dbraw/zinc/17/95/94/287179594.db2.gz WRBIDYJUZGWQDL-ISANGGDFSA-N 1 1 308.426 -0.037 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)nn1C ZINC000408422603 412364251 /nfs/dbraw/zinc/36/42/51/412364251.db2.gz SKRJYPUTEIFERX-VXGBXAGGSA-N 1 1 305.382 0.362 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(C)[C@H](c3nccn3C)C2)[N@@H+](C)C1 ZINC000329035717 544463127 /nfs/dbraw/zinc/46/31/27/544463127.db2.gz MTSVXDCTIKEDBK-IHRRRGAJSA-N 1 1 321.425 -0.046 10 0 DBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)CCN1CCCS1(=O)=O ZINC000329083885 544467111 /nfs/dbraw/zinc/46/71/11/544467111.db2.gz FKKJCNSVOVYRMH-GFCCVEGCSA-N 1 1 303.428 -0.178 10 0 DBAEMO CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000671553585 544718318 /nfs/dbraw/zinc/71/83/18/544718318.db2.gz WVIFNEWEXFXJDG-OAHLLOKOSA-N 1 1 319.365 -0.034 10 0 DBAEMO CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000671553585 544718319 /nfs/dbraw/zinc/71/83/19/544718319.db2.gz WVIFNEWEXFXJDG-OAHLLOKOSA-N 1 1 319.365 -0.034 10 0 DBAEMO Cn1cc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c(=O)n(C)c1=O ZINC000188400730 545037056 /nfs/dbraw/zinc/03/70/56/545037056.db2.gz DHPXKQPHDBMMTJ-ZDUSSCGKSA-N 1 1 303.366 -0.055 10 0 DBAEMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000105137419 545038038 /nfs/dbraw/zinc/03/80/38/545038038.db2.gz YXFHPZZJKRBUBE-UHFFFAOYSA-N 1 1 323.441 -0.314 10 0 DBAEMO CN(C)c1nc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)cc[nH+]1 ZINC000153775493 265650889 /nfs/dbraw/zinc/65/08/89/265650889.db2.gz JTIVAZPPNRPIRC-LLVKDONJSA-N 1 1 318.381 -0.673 10 0 DBAEMO CO[C@H]1C[C@@H](CN(C)Cc2cn(C)c(=O)n(C)c2=O)[N@@H+](C)C1 ZINC000284487056 274083050 /nfs/dbraw/zinc/08/30/50/274083050.db2.gz BJIGPYJBRJMKPP-STQMWFEESA-N 1 1 310.398 -0.765 10 0 DBAEMO CO[C@H]1C[C@@H](C[N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)N(C)C1 ZINC000284487056 274083052 /nfs/dbraw/zinc/08/30/52/274083052.db2.gz BJIGPYJBRJMKPP-STQMWFEESA-N 1 1 310.398 -0.765 10 0 DBAEMO CO[C@H]1C[C@@H](C[N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)N(C)C1 ZINC000284487056 274083055 /nfs/dbraw/zinc/08/30/55/274083055.db2.gz BJIGPYJBRJMKPP-STQMWFEESA-N 1 1 310.398 -0.765 10 0 DBAEMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000076802547 277056260 /nfs/dbraw/zinc/05/62/60/277056260.db2.gz RGBMPKYWQBRACY-UONOGXRCSA-N 1 1 324.425 -0.334 10 0 DBAEMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000076802547 277056262 /nfs/dbraw/zinc/05/62/62/277056262.db2.gz RGBMPKYWQBRACY-UONOGXRCSA-N 1 1 324.425 -0.334 10 0 DBAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000408384970 277075564 /nfs/dbraw/zinc/07/55/64/277075564.db2.gz JKVZUTUEVVMVHS-QWRGUYRKSA-N 1 1 306.370 -0.365 10 0 DBAEMO C[C@H]1OCCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)[C@@H]1C(N)=O ZINC000408059000 280054053 /nfs/dbraw/zinc/05/40/53/280054053.db2.gz AZZWSDQIRSOJTF-SCVCMEIPSA-N 1 1 301.412 -0.475 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC000106395126 280205989 /nfs/dbraw/zinc/20/59/89/280205989.db2.gz PUGLLRQTRJIEKD-CHWSQXEVSA-N 1 1 312.414 -0.308 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000408030018 289245818 /nfs/dbraw/zinc/24/58/18/289245818.db2.gz XDWWEQHSCYNYQR-IJLUTSLNSA-N 1 1 319.427 -0.802 10 0 DBAEMO C[NH+]1CCN(C(=O)CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000328957917 290012290 /nfs/dbraw/zinc/01/22/90/290012290.db2.gz JPPMGIRVVZLHRO-RRFJBIMHSA-N 1 1 311.426 -0.378 10 0 DBAEMO C[NH+]1CCN(C(=O)CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000328957918 290012389 /nfs/dbraw/zinc/01/23/89/290012389.db2.gz JPPMGIRVVZLHRO-ZNMIVQPWSA-N 1 1 311.426 -0.378 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000248613722 290097762 /nfs/dbraw/zinc/09/77/62/290097762.db2.gz LLQRLYVKWJVNCP-SRVKXCTJSA-N 1 1 300.403 -0.440 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)NS(C)(=O)=O)[C@@H]2C1 ZINC000408062878 290165409 /nfs/dbraw/zinc/16/54/09/290165409.db2.gz OWZFVBLQCCCPPT-MNOVXSKESA-N 1 1 319.427 -0.754 10 0 DBAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)C2=NN(C)C(=O)CC2)cn1 ZINC000181444806 294282301 /nfs/dbraw/zinc/28/23/01/294282301.db2.gz XQUAAXICBKRIDF-LBPRGKRZSA-N 1 1 304.354 -0.499 10 0 DBAEMO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000246585707 297276412 /nfs/dbraw/zinc/27/64/12/297276412.db2.gz STTQVQFWYKMEHU-UZWSLXQKSA-N 1 1 310.398 -0.104 10 0 DBAEMO C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)N1CCOCC1 ZINC000261629842 298055499 /nfs/dbraw/zinc/05/54/99/298055499.db2.gz AVQMXLJUMKHJLJ-CHWSQXEVSA-N 1 1 307.398 -0.386 10 0 DBAEMO CCCNC(=O)NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105824900 519884346 /nfs/dbraw/zinc/88/43/46/519884346.db2.gz GVMFUIBJLZJOPI-CHWSQXEVSA-N 1 1 314.430 -0.001 10 0 DBAEMO CCCCNC(=O)NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105822913 520636931 /nfs/dbraw/zinc/63/69/31/520636931.db2.gz VJHWHLPAKSTZIU-CHWSQXEVSA-N 1 1 314.430 -0.001 10 0 DBAEMO CC[C@H]1CN(CCCN2C(=O)CNC2=O)CC[N@H+]1C[C@@H](C)O ZINC000105827672 523276259 /nfs/dbraw/zinc/27/62/59/523276259.db2.gz OTCCTNJUJODUFP-OLZOCXBDSA-N 1 1 312.414 -0.295 10 0 DBAEMO CN(c1cccnn1)C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000107303947 523659384 /nfs/dbraw/zinc/65/93/84/523659384.db2.gz KTTDDGCCLPARNQ-UHFFFAOYSA-N 1 1 313.427 -0.074 10 0 DBAEMO CO[C@@H]1C[C@H](CO)[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000344706276 523769810 /nfs/dbraw/zinc/76/98/10/523769810.db2.gz JGJQWVCUZDCMMK-YNEHKIRRSA-N 1 1 306.428 -0.260 10 0 DBAEMO COCC[N@@H+]1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC000105834030 523854128 /nfs/dbraw/zinc/85/41/28/523854128.db2.gz DHHOIMPEQZNUMY-OLZOCXBDSA-N 1 1 314.430 -0.768 10 0 DBAEMO COCC[N@H+]1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC000105834030 523854132 /nfs/dbraw/zinc/85/41/32/523854132.db2.gz DHHOIMPEQZNUMY-OLZOCXBDSA-N 1 1 314.430 -0.768 10 0 DBAEMO Cc1ccc(N2CCC[N@@H+](CCC(=O)NC(N)=O)CC2)nn1 ZINC000105902104 524947899 /nfs/dbraw/zinc/94/78/99/524947899.db2.gz CJCXJPOPGQRQBN-UHFFFAOYSA-N 1 1 306.370 -0.118 10 0 DBAEMO C[C@@H]1CNCCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333667153 525090755 /nfs/dbraw/zinc/09/07/55/525090755.db2.gz MLLZXVURZAKXFA-GHMZBOCLSA-N 1 1 323.363 -0.174 10 0 DBAEMO Cn1cc(C[N@@H+]2CCCN(Cc3nc(N)nc(N)n3)CC2)cn1 ZINC000105869365 527198685 /nfs/dbraw/zinc/19/86/85/527198685.db2.gz AIGXRFDIVOXFDV-UHFFFAOYSA-N 1 1 317.401 -0.523 10 0 DBAEMO Cn1cc(C[N@H+]2CCCN(Cc3nc(N)nc(N)n3)CC2)cn1 ZINC000105869365 527198692 /nfs/dbraw/zinc/19/86/92/527198692.db2.gz AIGXRFDIVOXFDV-UHFFFAOYSA-N 1 1 317.401 -0.523 10 0 DBAEMO CC[C@@H]1CN(C(=O)C2(O)CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000408320993 535829282 /nfs/dbraw/zinc/82/92/82/535829282.db2.gz PSOLFAZIDGUIMY-QWHCGFSZSA-N 1 1 300.399 -0.169 10 0 DBAEMO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000408405804 536003168 /nfs/dbraw/zinc/00/31/68/536003168.db2.gz KUIJGHQGBBIOSS-CYBMUJFWSA-N 1 1 321.443 -0.658 10 0 DBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC000408044296 536480038 /nfs/dbraw/zinc/48/00/38/536480038.db2.gz UGGHOLQEHGLKEX-CHWSQXEVSA-N 1 1 304.350 -0.274 10 0 DBAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](N)CC(N)=O ZINC000389912146 664169226 /nfs/dbraw/zinc/16/92/26/664169226.db2.gz JOGLJJCMUUXGOC-KWCYVHTRSA-N 1 1 304.394 -0.174 10 0 DBAEMO Cc1nnc(COC2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C2)o1 ZINC000911410205 674720655 /nfs/dbraw/zinc/72/06/55/674720655.db2.gz WCMLVDGDFVDPCQ-YGRLFVJLSA-N 1 1 310.354 -0.439 10 0 DBAEMO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCO[C@H]2c2cc[nH]n2)C1 ZINC000912834706 674787149 /nfs/dbraw/zinc/78/71/49/674787149.db2.gz AHCDDDUXRZJFSI-TZMCWYRMSA-N 1 1 307.398 -0.151 10 0 DBAEMO CC(C)[N@H+]1C[C@H](NS(=O)(=O)CCS(C)(=O)=O)[C@@H](C)C1 ZINC000174005493 674924846 /nfs/dbraw/zinc/92/48/46/674924846.db2.gz GHCPIGYTLHXREQ-QWRGUYRKSA-N 1 1 312.457 -0.321 10 0 DBAEMO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)CCS(C)(=O)=O)[C@@H](C)C1 ZINC000174005493 674924847 /nfs/dbraw/zinc/92/48/47/674924847.db2.gz GHCPIGYTLHXREQ-QWRGUYRKSA-N 1 1 312.457 -0.321 10 0 DBAEMO C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000408209775 282137439 /nfs/dbraw/zinc/13/74/39/282137439.db2.gz DVPBSQKSRPJDBD-NEPJUHHUSA-N 1 1 319.427 -0.464 10 0 DBAEMO Nc1ccc(N[C@H]2CCCN(C(=O)Cn3cnnn3)CC2)c[nH+]1 ZINC000328639835 412533558 /nfs/dbraw/zinc/53/35/58/412533558.db2.gz PRAMZWJWRJPUCL-NSHDSACASA-N 1 1 316.369 0.144 10 0 DBAEMO O=C(CCCc1cn[nH]c1)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072153945 191057092 /nfs/dbraw/zinc/05/70/92/191057092.db2.gz PVLXHJPACHNIJH-ZDUSSCGKSA-N 1 1 305.382 -0.189 10 0 DBAEMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000111263437 138094381 /nfs/dbraw/zinc/09/43/81/138094381.db2.gz IQLYYOJQCNAOCP-RYUDHWBXSA-N 1 1 310.398 -0.832 10 0 DBAEMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000111263435 138094535 /nfs/dbraw/zinc/09/45/35/138094535.db2.gz IQLYYOJQCNAOCP-NWDGAFQWSA-N 1 1 310.398 -0.832 10 0 DBAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000370639854 138158822 /nfs/dbraw/zinc/15/88/22/138158822.db2.gz LEMSRMMCMXPAQW-NWDGAFQWSA-N 1 1 311.382 -0.067 10 0 DBAEMO Cn1cnc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000408027744 138203568 /nfs/dbraw/zinc/20/35/68/138203568.db2.gz MHPDZIFXUNFIAF-GHMZBOCLSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cn1cnc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000408027744 138203570 /nfs/dbraw/zinc/20/35/70/138203570.db2.gz MHPDZIFXUNFIAF-GHMZBOCLSA-N 1 1 300.384 -0.486 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](Cn2cncn2)C1 ZINC000408032200 138203760 /nfs/dbraw/zinc/20/37/60/138203760.db2.gz SSSLJANQRKBUPQ-LSDHHAIUSA-N 1 1 318.425 -0.093 10 0 DBAEMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000408043713 138204572 /nfs/dbraw/zinc/20/45/72/138204572.db2.gz YWNUJRJVMABBSM-SRVKXCTJSA-N 1 1 319.427 -0.754 10 0 DBAEMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000408043713 138204573 /nfs/dbraw/zinc/20/45/73/138204573.db2.gz YWNUJRJVMABBSM-SRVKXCTJSA-N 1 1 319.427 -0.754 10 0 DBAEMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H](C(N)=O)O1 ZINC000408276774 138213506 /nfs/dbraw/zinc/21/35/06/138213506.db2.gz KXOBGHYQAWBDGA-FVCCEPFGSA-N 1 1 310.398 -0.103 10 0 DBAEMO CNS(=O)(=O)CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000408403605 138217949 /nfs/dbraw/zinc/21/79/49/138217949.db2.gz VPAJVXDIIKOIQU-NSHDSACASA-N 1 1 319.427 -0.753 10 0 DBAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000262277568 291209830 /nfs/dbraw/zinc/20/98/30/291209830.db2.gz NNHZBJRTRSWKOG-LPWJVIDDSA-N 1 1 316.423 -0.069 10 0 DBAEMO C[C@@H](NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C(=O)N1CCCCC1 ZINC000193607988 296049246 /nfs/dbraw/zinc/04/92/46/296049246.db2.gz PEZZCDXYZBPPSJ-KFWWJZLASA-N 1 1 322.453 -0.003 10 0 DBAEMO CC[NH+]1CCN(C(=O)Cn2nc(C)n3cccc3c2=O)CC1 ZINC000015672424 182011646 /nfs/dbraw/zinc/01/16/46/182011646.db2.gz SRLPHZDHKCUAMK-UHFFFAOYSA-N 1 1 303.366 -0.031 10 0 DBAEMO O=C1c2ccccc2C(=O)N1C[NH2+]Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000020031250 182181712 /nfs/dbraw/zinc/18/17/12/182181712.db2.gz DWGCQMBRJBNOKK-UHFFFAOYSA-N 1 1 300.274 -0.594 10 0 DBAEMO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1COCC[NH2+]1 ZINC000261583649 374594848 /nfs/dbraw/zinc/59/48/48/374594848.db2.gz HJOAZJKLTOOPDJ-JKSUJKDBSA-N 1 1 319.405 -0.008 10 0 DBAEMO COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408027753 374690346 /nfs/dbraw/zinc/69/03/46/374690346.db2.gz MKKZWDIUPITQTK-UTUOFQBUSA-N 1 1 320.411 -0.470 10 0 DBAEMO CC(=O)N1CC[C@H](NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000408212285 374790135 /nfs/dbraw/zinc/79/01/35/374790135.db2.gz VNWQTMQCCJSJBV-SCRDCRAPSA-N 1 1 312.414 -0.296 10 0 DBAEMO CC(=O)N1CC[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000408212283 374790551 /nfs/dbraw/zinc/79/05/51/374790551.db2.gz VNWQTMQCCJSJBV-DYEKYZERSA-N 1 1 312.414 -0.296 10 0 DBAEMO O=C(CO)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000152332863 374925931 /nfs/dbraw/zinc/92/59/31/374925931.db2.gz HKWRVSMMGYMCOU-HNNXBMFYSA-N 1 1 308.378 -0.299 10 0 DBAEMO Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC2)nn1 ZINC000105800672 374909249 /nfs/dbraw/zinc/90/92/49/374909249.db2.gz VCHFIPFEXYQTFA-NSHDSACASA-N 1 1 306.370 -0.119 10 0 DBAEMO Cc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)CC2)nn1 ZINC000105800672 374909256 /nfs/dbraw/zinc/90/92/56/374909256.db2.gz VCHFIPFEXYQTFA-NSHDSACASA-N 1 1 306.370 -0.119 10 0 DBAEMO Cc1cnn([C@H]2CCC[N@H+](CC(=O)N3CCNC(=O)C3)C2)c1 ZINC000105900514 374912217 /nfs/dbraw/zinc/91/22/17/374912217.db2.gz AQIGQTCZVGXTHG-ZDUSSCGKSA-N 1 1 305.382 -0.213 10 0 DBAEMO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)c1 ZINC000105900514 374912226 /nfs/dbraw/zinc/91/22/26/374912226.db2.gz AQIGQTCZVGXTHG-ZDUSSCGKSA-N 1 1 305.382 -0.213 10 0 DBAEMO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237434877 375008155 /nfs/dbraw/zinc/00/81/55/375008155.db2.gz LBQPCFNBEDBDIR-ZIAGYGMSSA-N 1 1 324.425 -0.870 10 0 DBAEMO Cc1onc(N)c1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000290000249 375195528 /nfs/dbraw/zinc/19/55/28/375195528.db2.gz WPXNQHVXUVMTTA-VHSXEESVSA-N 1 1 316.383 -0.341 10 0 DBAEMO Cc1onc(N)c1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000290000249 375195532 /nfs/dbraw/zinc/19/55/32/375195532.db2.gz WPXNQHVXUVMTTA-VHSXEESVSA-N 1 1 316.383 -0.341 10 0 DBAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332759559 375407846 /nfs/dbraw/zinc/40/78/46/375407846.db2.gz XAISCFKJCHHENW-RAIGVLPGSA-N 1 1 310.398 -0.232 10 0 DBAEMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332759559 375407852 /nfs/dbraw/zinc/40/78/52/375407852.db2.gz XAISCFKJCHHENW-RAIGVLPGSA-N 1 1 310.398 -0.232 10 0 DBAEMO CCNS(=O)(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000172458590 375480985 /nfs/dbraw/zinc/48/09/85/375480985.db2.gz ZSCBNIBJFWGUSI-UHFFFAOYSA-N 1 1 301.416 -0.218 10 0 DBAEMO CCNS(=O)(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000172458590 375480990 /nfs/dbraw/zinc/48/09/90/375480990.db2.gz ZSCBNIBJFWGUSI-UHFFFAOYSA-N 1 1 301.416 -0.218 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000175019958 375494014 /nfs/dbraw/zinc/49/40/14/375494014.db2.gz KDLWUIDWTPOMQB-VXGBXAGGSA-N 1 1 306.366 -0.378 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2nccn(C)c2=O)CC1 ZINC000183800967 375547186 /nfs/dbraw/zinc/54/71/86/375547186.db2.gz WRVOXPVKZMHTDU-LLVKDONJSA-N 1 1 309.370 -0.299 10 0 DBAEMO COCC(=O)NC1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000185311477 375559782 /nfs/dbraw/zinc/55/97/82/375559782.db2.gz KRWUAVAEYJKLID-NSHDSACASA-N 1 1 323.397 -0.016 10 0 DBAEMO CC[C@H]1CN(CCNS(=O)(=O)CC)CC[N@H+]1C[C@@H](C)O ZINC000109328835 375614597 /nfs/dbraw/zinc/61/45/97/375614597.db2.gz XGPWLJFAGRMQNS-OLZOCXBDSA-N 1 1 307.460 -0.297 10 0 DBAEMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3nnnn3C)CC2)C1 ZINC000365694689 376813642 /nfs/dbraw/zinc/81/36/42/376813642.db2.gz FIBMUPIOWHQMRV-LBPRGKRZSA-N 1 1 323.401 -0.984 10 0 DBAEMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3nnnn3C)CC2)C1 ZINC000365694689 376813645 /nfs/dbraw/zinc/81/36/45/376813645.db2.gz FIBMUPIOWHQMRV-LBPRGKRZSA-N 1 1 323.401 -0.984 10 0 DBAEMO CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000262600685 377036354 /nfs/dbraw/zinc/03/63/54/377036354.db2.gz CEVSTGWVKCTQER-STQMWFEESA-N 1 1 304.387 -0.764 10 0 DBAEMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247095131 377131151 /nfs/dbraw/zinc/13/11/51/377131151.db2.gz HWMGGIFPXFWBJF-NWDGAFQWSA-N 1 1 309.370 -0.332 10 0 DBAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCO[C@@H](CO)C1 ZINC000637985352 377702154 /nfs/dbraw/zinc/70/21/54/377702154.db2.gz DYGFSPLKMLEGHC-CABCVRRESA-N 1 1 307.394 -0.335 10 0 DBAEMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCO[C@@H](CO)C1 ZINC000637985352 377702159 /nfs/dbraw/zinc/70/21/59/377702159.db2.gz DYGFSPLKMLEGHC-CABCVRRESA-N 1 1 307.394 -0.335 10 0 DBAEMO C[C@@H]1CN(C(=O)Cn2cnc3c2ncnc3N)C[C@H](C)[N@@H+]1C ZINC000293859107 378153135 /nfs/dbraw/zinc/15/31/35/378153135.db2.gz BCMXPBIFPUIALQ-AOOOYVTPSA-N 1 1 303.370 -0.041 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000181799926 378322752 /nfs/dbraw/zinc/32/27/52/378322752.db2.gz JVNFZMLPQPWQSX-STQMWFEESA-N 1 1 322.413 -0.309 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)COC)CC2)C1 ZINC000194178160 378340518 /nfs/dbraw/zinc/34/05/18/378340518.db2.gz JFMAGIIYVNJXAZ-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000113517054 378388273 /nfs/dbraw/zinc/38/82/73/378388273.db2.gz YONHBIFFFUVWOU-UTUOFQBUSA-N 1 1 306.428 -0.277 10 0 DBAEMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000113517054 378388275 /nfs/dbraw/zinc/38/82/75/378388275.db2.gz YONHBIFFFUVWOU-UTUOFQBUSA-N 1 1 306.428 -0.277 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNS(C)(=O)=O ZINC000113587862 378390995 /nfs/dbraw/zinc/39/09/95/378390995.db2.gz RGUBMRYVWGRCFU-WDEREUQCSA-N 1 1 304.416 -0.586 10 0 DBAEMO CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000329561268 378491915 /nfs/dbraw/zinc/49/19/15/378491915.db2.gz RKDCZYFSZZEEHF-QWHCGFSZSA-N 1 1 322.409 -0.628 10 0 DBAEMO O=S(=O)(N1CCOCC1)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000329819806 378510150 /nfs/dbraw/zinc/51/01/50/378510150.db2.gz XYBMQXFVKCQOQD-UHFFFAOYSA-N 1 1 319.427 -0.904 10 0 DBAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000312574084 378585193 /nfs/dbraw/zinc/58/51/93/378585193.db2.gz MPDHQJDXRGWYHC-OLZOCXBDSA-N 1 1 305.444 -0.279 10 0 DBAEMO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C[C@@H]1CNCCO1 ZINC000312574084 378585197 /nfs/dbraw/zinc/58/51/97/378585197.db2.gz MPDHQJDXRGWYHC-OLZOCXBDSA-N 1 1 305.444 -0.279 10 0 DBAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000107281305 378629111 /nfs/dbraw/zinc/62/91/11/378629111.db2.gz UWQMROQHUVLTTD-ZIAGYGMSSA-N 1 1 308.426 -0.249 10 0 DBAEMO O[C@H](COc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000639741858 378618780 /nfs/dbraw/zinc/61/87/80/378618780.db2.gz GOJLSYUOWSGMOH-NWANDNLSSA-N 1 1 304.350 -0.064 10 0 DBAEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCS(=O)(=O)CC1 ZINC000104503981 378622812 /nfs/dbraw/zinc/62/28/12/378622812.db2.gz SGEZSEULSREKTP-GFCCVEGCSA-N 1 1 303.428 -0.873 10 0 DBAEMO CC(=O)NCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175676267 379714870 /nfs/dbraw/zinc/71/48/70/379714870.db2.gz JUPMAXKVEWSPDP-JSGCOSHPSA-N 1 1 312.414 -0.125 10 0 DBAEMO CC(=O)NCCCNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000175676248 379714958 /nfs/dbraw/zinc/71/49/58/379714958.db2.gz JUPMAXKVEWSPDP-OCCSQVGLSA-N 1 1 312.414 -0.125 10 0 DBAEMO C[C@@H]1CN(C(=O)NCCNC(=O)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175626727 379716669 /nfs/dbraw/zinc/71/66/69/379716669.db2.gz GCSWHWYPECFENK-TZMCWYRMSA-N 1 1 324.425 -0.125 10 0 DBAEMO C[NH+](C)C[C@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCO1 ZINC000176853843 379723669 /nfs/dbraw/zinc/72/36/69/379723669.db2.gz FGUCPFWSOWYIBE-LBPRGKRZSA-N 1 1 318.439 -0.010 10 0 DBAEMO C[C@@H]1CN(C(=O)NCC(=O)NCC2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000183800671 379755507 /nfs/dbraw/zinc/75/55/07/379755507.db2.gz ZIZYRMOBBNWGDU-TZMCWYRMSA-N 1 1 324.425 -0.125 10 0 DBAEMO CC(C)c1nnnn1CC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181323088 379747791 /nfs/dbraw/zinc/74/77/91/379747791.db2.gz WXRMSWYKJNTDKB-LBPRGKRZSA-N 1 1 318.385 -0.297 10 0 DBAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(c3ccnn3CCO)CC2)C1 ZINC000181918505 379752231 /nfs/dbraw/zinc/75/22/31/379752231.db2.gz IJKRAGBLRJOSBV-OAHLLOKOSA-N 1 1 322.409 -0.088 10 0 DBAEMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(c3ccnn3CCO)CC2)C1 ZINC000181918505 379752233 /nfs/dbraw/zinc/75/22/33/379752233.db2.gz IJKRAGBLRJOSBV-OAHLLOKOSA-N 1 1 322.409 -0.088 10 0 DBAEMO CC(C)c1nnnn1CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000174342249 379711153 /nfs/dbraw/zinc/71/11/53/379711153.db2.gz WEQZGVPBOXEDRA-STQMWFEESA-N 1 1 322.413 -0.024 10 0 DBAEMO COCc1cccc(CNC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185135228 379757571 /nfs/dbraw/zinc/75/75/71/379757571.db2.gz JHLKIMPUEGPBLM-CABCVRRESA-N 1 1 308.378 -0.123 10 0 DBAEMO COCc1cccc(CNC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185135228 379757577 /nfs/dbraw/zinc/75/75/77/379757577.db2.gz JHLKIMPUEGPBLM-CABCVRRESA-N 1 1 308.378 -0.123 10 0 DBAEMO CCN(C)C(=O)CNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000186208703 379764717 /nfs/dbraw/zinc/76/47/17/379764717.db2.gz JODCMRUKUQEYBO-LBPRGKRZSA-N 1 1 300.403 -0.173 10 0 DBAEMO CCN(C)C(=O)CNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000186208703 379764722 /nfs/dbraw/zinc/76/47/22/379764722.db2.gz JODCMRUKUQEYBO-LBPRGKRZSA-N 1 1 300.403 -0.173 10 0 DBAEMO CC[C@@H]1CN(C(=O)NCC(=O)N(C)CC)CC[N@H+]1C[C@@H](C)O ZINC000186183609 379765113 /nfs/dbraw/zinc/76/51/13/379765113.db2.gz HUADFECICLTZAN-CHWSQXEVSA-N 1 1 314.430 -0.049 10 0 DBAEMO O=S(=O)([C@@H]1CC[N@H+](CC2(CO)COC2)C1)N1CCCC1 ZINC000135690413 379920962 /nfs/dbraw/zinc/92/09/62/379920962.db2.gz VWAPIAOGKPJTNG-GFCCVEGCSA-N 1 1 304.412 -0.505 10 0 DBAEMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000109329285 379877181 /nfs/dbraw/zinc/87/71/81/379877181.db2.gz QWVPZPVUAOGCBK-LBPRGKRZSA-N 1 1 301.416 -0.071 10 0 DBAEMO CC(=O)N1CCN(C(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113268153 379879253 /nfs/dbraw/zinc/87/92/53/379879253.db2.gz ZDMIMQCVZWJUJZ-DZGCQCFKSA-N 1 1 308.426 -0.154 10 0 DBAEMO CCN1CCN(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C(=O)C1=O ZINC000195058454 379928838 /nfs/dbraw/zinc/92/88/38/379928838.db2.gz JMRNVOKUCWBUNO-ZDUSSCGKSA-N 1 1 322.409 -0.626 10 0 DBAEMO CC[C@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1C[C@H](C)O ZINC000245747276 379974190 /nfs/dbraw/zinc/97/41/90/379974190.db2.gz NBPIGKSADPNTLU-JSGCOSHPSA-N 1 1 324.425 -0.639 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)CN2CCC[N@H+](C3CC3)CC2)C1 ZINC000195338521 379931728 /nfs/dbraw/zinc/93/17/28/379931728.db2.gz UZVTXWLHWWDTMC-CYBMUJFWSA-N 1 1 308.426 -0.120 10 0 DBAEMO COCC[N@@H+]1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000247033876 380102674 /nfs/dbraw/zinc/10/26/74/380102674.db2.gz DHHOIMPEQZNUMY-QWHCGFSZSA-N 1 1 314.430 -0.768 10 0 DBAEMO COCC[N@H+]1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000247033876 380102681 /nfs/dbraw/zinc/10/26/81/380102681.db2.gz DHHOIMPEQZNUMY-QWHCGFSZSA-N 1 1 314.430 -0.768 10 0 DBAEMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000247064444 380103692 /nfs/dbraw/zinc/10/36/92/380103692.db2.gz GCGJJEABKHCWIN-SNVBAGLBSA-N 1 1 324.385 -0.270 10 0 DBAEMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000247064444 380103694 /nfs/dbraw/zinc/10/36/94/380103694.db2.gz GCGJJEABKHCWIN-SNVBAGLBSA-N 1 1 324.385 -0.270 10 0 DBAEMO CCCCNC(=O)NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247376397 380104996 /nfs/dbraw/zinc/10/49/96/380104996.db2.gz VJHWHLPAKSTZIU-OLZOCXBDSA-N 1 1 314.430 -0.001 10 0 DBAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000174016412 296319525 /nfs/dbraw/zinc/31/95/25/296319525.db2.gz LTFPJCBLALNNCS-CABCVRRESA-N 1 1 311.426 -0.234 10 0 DBAEMO Cc1conc1NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246246005 381581081 /nfs/dbraw/zinc/58/10/81/381581081.db2.gz UQZNMUFOJGELBR-MNOVXSKESA-N 1 1 310.354 -0.165 10 0 DBAEMO Cc1conc1NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246246005 381581089 /nfs/dbraw/zinc/58/10/89/381581089.db2.gz UQZNMUFOJGELBR-MNOVXSKESA-N 1 1 310.354 -0.165 10 0 DBAEMO CCS(=O)(=O)NCCCN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245509465 381564589 /nfs/dbraw/zinc/56/45/89/381564589.db2.gz KHHQFLVJKAJGTF-STQMWFEESA-N 1 1 307.460 -0.297 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n(C)n1 ZINC000247080534 381594819 /nfs/dbraw/zinc/59/48/19/381594819.db2.gz PDMHLHJXASMTCY-NEPJUHHUSA-N 1 1 323.397 -0.419 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n(C)n1 ZINC000247080534 381594831 /nfs/dbraw/zinc/59/48/31/381594831.db2.gz PDMHLHJXASMTCY-NEPJUHHUSA-N 1 1 323.397 -0.419 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000247140545 381595030 /nfs/dbraw/zinc/59/50/30/381595030.db2.gz PGFQBJOIRFJNOU-NWDGAFQWSA-N 1 1 300.403 -0.175 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000247140545 381595035 /nfs/dbraw/zinc/59/50/35/381595035.db2.gz PGFQBJOIRFJNOU-NWDGAFQWSA-N 1 1 300.403 -0.175 10 0 DBAEMO Nc1c[nH+]ccc1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000062725983 184250553 /nfs/dbraw/zinc/25/05/53/184250553.db2.gz DGNCPFHQSMMSNG-UHFFFAOYSA-N 1 1 305.381 -0.595 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC000182464708 382080666 /nfs/dbraw/zinc/08/06/66/382080666.db2.gz SIDVQXABLRUAMI-ZDUSSCGKSA-N 1 1 310.402 -0.234 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCNC(=O)C2CC2)CC1 ZINC000184721700 382100142 /nfs/dbraw/zinc/10/01/42/382100142.db2.gz FPMARTUGZLOAIY-ZDUSSCGKSA-N 1 1 312.414 -0.389 10 0 DBAEMO Cc1c(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cnn1C ZINC000404168280 382404573 /nfs/dbraw/zinc/40/45/73/382404573.db2.gz UMFFOWSTJKDPOC-MNOVXSKESA-N 1 1 300.384 -0.520 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404169058 382404581 /nfs/dbraw/zinc/40/45/81/382404581.db2.gz UYICSAVLKUROPY-MNOVXSKESA-N 1 1 300.384 -0.346 10 0 DBAEMO CCn1cnc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404169061 382405831 /nfs/dbraw/zinc/40/58/31/382405831.db2.gz UYICSAVLKUROPY-QWRGUYRKSA-N 1 1 300.384 -0.346 10 0 DBAEMO COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccn2)[C@@H]1O ZINC000096533298 382612798 /nfs/dbraw/zinc/61/27/98/382612798.db2.gz IIFUAMPQZIIGCH-ARILJUKYSA-N 1 1 309.366 -0.740 10 0 DBAEMO NC(=O)[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C(F)(F)F ZINC000299742382 382617518 /nfs/dbraw/zinc/61/75/18/382617518.db2.gz HMPPXAZFYKYYPM-RKDXNWHRSA-N 1 1 309.288 -0.559 10 0 DBAEMO NC(=O)[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C(F)(F)F ZINC000299742382 382617520 /nfs/dbraw/zinc/61/75/20/382617520.db2.gz HMPPXAZFYKYYPM-RKDXNWHRSA-N 1 1 309.288 -0.559 10 0 DBAEMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173936645 382693908 /nfs/dbraw/zinc/69/39/08/382693908.db2.gz ADBABQCBVVXFFU-JYJNAYRXSA-N 1 1 314.426 -0.051 10 0 DBAEMO CN(C)C(=O)CN1CC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C1=O ZINC000248056555 257110120 /nfs/dbraw/zinc/11/01/20/257110120.db2.gz YEOPTJCXHUVXTD-ZIAGYGMSSA-N 1 1 319.409 -0.211 10 0 DBAEMO Cc1cc(C)n(CC(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c(=O)n1 ZINC000284870803 131118013 /nfs/dbraw/zinc/11/80/13/131118013.db2.gz FCVMBMKDNYNTEA-UONOGXRCSA-N 1 1 320.393 -0.208 10 0 DBAEMO Cc1cc(C)n(CC(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c(=O)n1 ZINC000284870794 131118082 /nfs/dbraw/zinc/11/80/82/131118082.db2.gz FCVMBMKDNYNTEA-KBPBESRZSA-N 1 1 320.393 -0.208 10 0 DBAEMO Cc1cc(C)n(CC(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c(=O)n1 ZINC000284870799 131118432 /nfs/dbraw/zinc/11/84/32/131118432.db2.gz FCVMBMKDNYNTEA-KGLIPLIRSA-N 1 1 320.393 -0.208 10 0 DBAEMO Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285714491 131195201 /nfs/dbraw/zinc/19/52/01/131195201.db2.gz JKHWPBKOJUIOLG-UONOGXRCSA-N 1 1 321.377 -0.206 10 0 DBAEMO Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285714489 131195272 /nfs/dbraw/zinc/19/52/72/131195272.db2.gz JKHWPBKOJUIOLG-KGLIPLIRSA-N 1 1 321.377 -0.206 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408030016 392688382 /nfs/dbraw/zinc/68/83/82/392688382.db2.gz XDWWEQHSCYNYQR-GRYCIOLGSA-N 1 1 319.427 -0.802 10 0 DBAEMO CC(C)CNC(=O)NC(=O)CN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408038053 392691322 /nfs/dbraw/zinc/69/13/22/392691322.db2.gz JRCURORFIORGTM-OLZOCXBDSA-N 1 1 312.414 -0.127 10 0 DBAEMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408040146 392691437 /nfs/dbraw/zinc/69/14/37/392691437.db2.gz DJTBQQALYXSFOK-MXWKQRLJSA-N 1 1 311.386 -0.293 10 0 DBAEMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408040146 392691439 /nfs/dbraw/zinc/69/14/39/392691439.db2.gz DJTBQQALYXSFOK-MXWKQRLJSA-N 1 1 311.386 -0.293 10 0 DBAEMO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408048963 392788269 /nfs/dbraw/zinc/78/82/69/392788269.db2.gz SMTJEBNTFXYUQL-WRWGMCAJSA-N 1 1 310.398 -0.848 10 0 DBAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408058789 392789638 /nfs/dbraw/zinc/78/96/38/392789638.db2.gz DRSFCRHFTXRPTA-WOPDTQHZSA-N 1 1 310.398 -0.704 10 0 DBAEMO Cc1cnn(C)c1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408072756 392795985 /nfs/dbraw/zinc/79/59/85/392795985.db2.gz SIOWGUSYIUANJL-VXGBXAGGSA-N 1 1 314.411 -0.178 10 0 DBAEMO Cc1cnn(C)c1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000408072756 392795989 /nfs/dbraw/zinc/79/59/89/392795989.db2.gz SIOWGUSYIUANJL-VXGBXAGGSA-N 1 1 314.411 -0.178 10 0 DBAEMO CC(C)[C@H](CNC(=O)C1=NNC(=O)CC1)N1CC[NH+](C)CC1 ZINC000120389747 392808074 /nfs/dbraw/zinc/80/80/74/392808074.db2.gz MYRDRNLEVHXJAV-ZDUSSCGKSA-N 1 1 309.414 -0.359 10 0 DBAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000408384956 392850827 /nfs/dbraw/zinc/85/08/27/392850827.db2.gz JKVZUTUEVVMVHS-GHMZBOCLSA-N 1 1 306.370 -0.365 10 0 DBAEMO CN1CCO[C@@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC000328931904 393031397 /nfs/dbraw/zinc/03/13/97/393031397.db2.gz ZYDASDMWVFPJOM-VXGBXAGGSA-N 1 1 310.398 -0.074 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cc(C(N)=O)co2)CC1 ZINC000188034400 392994758 /nfs/dbraw/zinc/99/47/58/392994758.db2.gz BEKKGPBDVOKBBZ-GFCCVEGCSA-N 1 1 324.381 -0.023 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC000328989902 393031891 /nfs/dbraw/zinc/03/18/91/393031891.db2.gz CTNJGSZPCNYEGI-GDLCADMTSA-N 1 1 305.382 -0.159 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000329543339 393265002 /nfs/dbraw/zinc/26/50/02/393265002.db2.gz NXMIJZHRIFEXKN-OLZOCXBDSA-N 1 1 315.439 -0.588 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000113226168 393426746 /nfs/dbraw/zinc/42/67/46/393426746.db2.gz NXMIJZHRIFEXKN-QWHCGFSZSA-N 1 1 315.439 -0.588 10 0 DBAEMO CNC(=O)[C@@H]1CN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CCO1 ZINC000181669566 393488160 /nfs/dbraw/zinc/48/81/60/393488160.db2.gz KIGXGFQPCNMOAZ-AVGNSLFASA-N 1 1 312.414 -0.129 10 0 DBAEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)NC(=O)NC)C[C@@H]1C ZINC000247102104 393593060 /nfs/dbraw/zinc/59/30/60/393593060.db2.gz IGZHBDVLJVSXQT-NWDGAFQWSA-N 1 1 300.403 -0.127 10 0 DBAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NC(=O)NC)C[C@@H]1C ZINC000247102104 393593065 /nfs/dbraw/zinc/59/30/65/393593065.db2.gz IGZHBDVLJVSXQT-NWDGAFQWSA-N 1 1 300.403 -0.127 10 0 DBAEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC000247102091 393593160 /nfs/dbraw/zinc/59/31/60/393593160.db2.gz IGZHBDVLJVSXQT-NEPJUHHUSA-N 1 1 300.403 -0.127 10 0 DBAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC000247102091 393593163 /nfs/dbraw/zinc/59/31/63/393593163.db2.gz IGZHBDVLJVSXQT-NEPJUHHUSA-N 1 1 300.403 -0.127 10 0 DBAEMO CC[C@@H]1CN(CCCC(=O)NC(N)=O)CC[N@H+]1C[C@@H](C)O ZINC000171566094 287193444 /nfs/dbraw/zinc/19/34/44/287193444.db2.gz IAKXVOIDFHWEHQ-VXGBXAGGSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)CCN1C[C@@H](C)O ZINC000171566094 287193445 /nfs/dbraw/zinc/19/34/45/287193445.db2.gz IAKXVOIDFHWEHQ-VXGBXAGGSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@@H]1C[N@@H+](CCCC(=O)NC(N)=O)CCN1C[C@@H](C)O ZINC000171566094 287193446 /nfs/dbraw/zinc/19/34/46/287193446.db2.gz IAKXVOIDFHWEHQ-VXGBXAGGSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000332759105 544546646 /nfs/dbraw/zinc/54/66/46/544546646.db2.gz VYDBDRUSNRADFN-CHWSQXEVSA-N 1 1 317.455 -0.294 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000332759105 544546652 /nfs/dbraw/zinc/54/66/52/544546652.db2.gz VYDBDRUSNRADFN-CHWSQXEVSA-N 1 1 317.455 -0.294 10 0 DBAEMO Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1=O ZINC000275717230 277058755 /nfs/dbraw/zinc/05/87/55/277058755.db2.gz OCUCEPUEYBICPA-QWHCGFSZSA-N 1 1 319.409 -0.041 10 0 DBAEMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802596 277235345 /nfs/dbraw/zinc/23/53/45/277235345.db2.gz LITVBVRLURFOLN-LLVKDONJSA-N 1 1 306.370 -0.167 10 0 DBAEMO CO[C@@H]1COC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000333682070 277303199 /nfs/dbraw/zinc/30/31/99/277303199.db2.gz ZZBXAWWAGGURNI-XJFOESAGSA-N 1 1 313.398 -0.095 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000329239097 279112892 /nfs/dbraw/zinc/11/28/92/279112892.db2.gz QBQLSBSCESBHTB-YRGRVCCFSA-N 1 1 321.425 -0.167 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000329239096 279113294 /nfs/dbraw/zinc/11/32/94/279113294.db2.gz QBQLSBSCESBHTB-MBNYWOFBSA-N 1 1 321.425 -0.167 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000181713222 288107580 /nfs/dbraw/zinc/10/75/80/288107580.db2.gz VSQOGXCLXYQHRK-KBPBESRZSA-N 1 1 314.430 -0.585 10 0 DBAEMO CC[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CCN1C[C@H](C)O ZINC000249002576 280380154 /nfs/dbraw/zinc/38/01/54/280380154.db2.gz QBGXPPIDUFJPRN-NWDGAFQWSA-N 1 1 321.425 -0.027 10 0 DBAEMO CC[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CC[N@H+]1C[C@@H](C)O ZINC000408305116 281141155 /nfs/dbraw/zinc/14/11/55/281141155.db2.gz HFJIOGDMDKOJJK-AGIUHOORSA-N 1 1 312.414 -0.167 10 0 DBAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CN2CCCCC2=O)cn1 ZINC000181326505 302936707 /nfs/dbraw/zinc/93/67/07/302936707.db2.gz FUDQYJXSBKPSHY-CYBMUJFWSA-N 1 1 305.382 -0.095 10 0 DBAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)C2=NN(C)C(=O)CC2)cn1 ZINC000181444826 302936788 /nfs/dbraw/zinc/93/67/88/302936788.db2.gz XQUAAXICBKRIDF-GFCCVEGCSA-N 1 1 304.354 -0.499 10 0 DBAEMO CCCNC(=O)NC(=O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333835390 519884260 /nfs/dbraw/zinc/88/42/60/519884260.db2.gz KCRCEKSLDIJTBD-OLZOCXBDSA-N 1 1 324.425 -0.077 10 0 DBAEMO CCOCCN1CC[N@@H+](C[C@H](O)CN2CCOCC2)C[C@@H]1C ZINC000105902988 519919356 /nfs/dbraw/zinc/91/93/56/519919356.db2.gz GJAZWWMIEUWYQY-JKSUJKDBSA-N 1 1 315.458 -0.278 10 0 DBAEMO CCOCC[N@@H+]1CCN(C[C@H](O)CN2CCOCC2)C[C@@H]1C ZINC000105902988 519919359 /nfs/dbraw/zinc/91/93/59/519919359.db2.gz GJAZWWMIEUWYQY-JKSUJKDBSA-N 1 1 315.458 -0.278 10 0 DBAEMO CCOCC[N@H+]1CCN(C[C@H](O)CN2CCOCC2)C[C@@H]1C ZINC000105902988 519919364 /nfs/dbraw/zinc/91/93/64/519919364.db2.gz GJAZWWMIEUWYQY-JKSUJKDBSA-N 1 1 315.458 -0.278 10 0 DBAEMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000333565731 523042968 /nfs/dbraw/zinc/04/29/68/523042968.db2.gz RFYSUWJXFXPHSI-RWMBFGLXSA-N 1 1 308.386 -0.046 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000158366876 523378160 /nfs/dbraw/zinc/37/81/60/523378160.db2.gz OBSBZUREMOOZLG-DGCLKSJQSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000158366876 523378166 /nfs/dbraw/zinc/37/81/66/523378166.db2.gz OBSBZUREMOOZLG-DGCLKSJQSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@@H]1CN(CCCN2C(=O)CNC2=O)CC[N@H+]1CCOC ZINC000105837224 523437317 /nfs/dbraw/zinc/43/73/17/523437317.db2.gz NABPRIIBAPSRSK-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO CC[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCN1CCOC ZINC000105837224 523437327 /nfs/dbraw/zinc/43/73/27/523437327.db2.gz NABPRIIBAPSRSK-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO CC[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)CCN1CCOC ZINC000105837224 523437335 /nfs/dbraw/zinc/43/73/35/523437335.db2.gz NABPRIIBAPSRSK-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)C1 ZINC000266868247 523945967 /nfs/dbraw/zinc/94/59/67/523945967.db2.gz CHZDJLLCVZJEAI-MFKMUULPSA-N 1 1 321.381 -0.455 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)C1 ZINC000266868247 523945973 /nfs/dbraw/zinc/94/59/73/523945973.db2.gz CHZDJLLCVZJEAI-MFKMUULPSA-N 1 1 321.381 -0.455 10 0 DBAEMO C[C@H]1CN(C(=O)NCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000175686944 524495640 /nfs/dbraw/zinc/49/56/40/524495640.db2.gz LZWZWULYRZFLLR-STQMWFEESA-N 1 1 312.414 -0.173 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408275892 536440469 /nfs/dbraw/zinc/44/04/69/536440469.db2.gz CAOYIWDXVWTSPL-WOPDTQHZSA-N 1 1 319.427 -0.706 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408275892 536440472 /nfs/dbraw/zinc/44/04/72/536440472.db2.gz CAOYIWDXVWTSPL-WOPDTQHZSA-N 1 1 319.427 -0.706 10 0 DBAEMO O=C(NC1CCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333488122 527501067 /nfs/dbraw/zinc/50/10/67/527501067.db2.gz CDHWYPHUWIVLJM-UHFFFAOYSA-N 1 1 302.400 -0.832 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CC(=O)NCC(F)(F)F)[C@H]2C1 ZINC000408043116 536468536 /nfs/dbraw/zinc/46/85/36/536468536.db2.gz VFBLPWXBICZEKD-UWVGGRQHSA-N 1 1 323.315 -0.014 10 0 DBAEMO CNC(=O)[C@H]1CC(=O)N(C2CN(c3[nH+]cnc4[nH]ccc43)C2)C1 ZINC000888098578 665859333 /nfs/dbraw/zinc/85/93/33/665859333.db2.gz ILGJYBAKIXEKME-VIFPVBQESA-N 1 1 314.349 -0.259 10 0 DBAEMO CO[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H]1c1cn[nH]n1 ZINC000911356627 674710164 /nfs/dbraw/zinc/71/01/64/674710164.db2.gz XEZWMTBEEJRJPL-GXTWGEPZSA-N 1 1 322.413 -0.761 10 0 DBAEMO CO[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C[C@H]1c1c[nH]nn1 ZINC000911356627 674710165 /nfs/dbraw/zinc/71/01/65/674710165.db2.gz XEZWMTBEEJRJPL-GXTWGEPZSA-N 1 1 322.413 -0.761 10 0 DBAEMO CO[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H]1c1c[nH]nn1 ZINC000911356627 674710166 /nfs/dbraw/zinc/71/01/66/674710166.db2.gz XEZWMTBEEJRJPL-GXTWGEPZSA-N 1 1 322.413 -0.761 10 0 DBAEMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCOC[C@H]2CO)C1 ZINC000912430679 674768837 /nfs/dbraw/zinc/76/88/37/674768837.db2.gz IQPUHLMYDPXIHG-CHWSQXEVSA-N 1 1 314.382 -0.519 10 0 DBAEMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCOC[C@H]2CO)C1 ZINC000912430679 674768842 /nfs/dbraw/zinc/76/88/42/674768842.db2.gz IQPUHLMYDPXIHG-CHWSQXEVSA-N 1 1 314.382 -0.519 10 0 DBAEMO NC(=O)[C@H](F)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000913103266 674790340 /nfs/dbraw/zinc/79/03/40/674790340.db2.gz FHHQFQTVFJJKKK-JHJVBQTASA-N 1 1 313.373 -0.088 10 0 DBAEMO CN(C)[C@@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)c1cncn1C ZINC000285056123 282167212 /nfs/dbraw/zinc/16/72/12/282167212.db2.gz QOPPMZXXDCWIJZ-SOUVJXGZSA-N 1 1 321.425 -0.046 10 0 DBAEMO O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000407990122 138201072 /nfs/dbraw/zinc/20/10/72/138201072.db2.gz ZRKFUVKSKVMKRB-CHWSQXEVSA-N 1 1 306.410 -0.306 10 0 DBAEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@]2(C)CCCNC2=O)CC1 ZINC000408370436 138215873 /nfs/dbraw/zinc/21/58/73/138215873.db2.gz KWAVWVIKQAQXGU-MRXNPFEDSA-N 1 1 324.425 -0.475 10 0 DBAEMO Cn1cnc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000408027745 138203395 /nfs/dbraw/zinc/20/33/95/138203395.db2.gz MHPDZIFXUNFIAF-MNOVXSKESA-N 1 1 300.384 -0.486 10 0 DBAEMO Cn1cnc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000408027745 138203396 /nfs/dbraw/zinc/20/33/96/138203396.db2.gz MHPDZIFXUNFIAF-MNOVXSKESA-N 1 1 300.384 -0.486 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000408032197 138203911 /nfs/dbraw/zinc/20/39/11/138203911.db2.gz SSSLJANQRKBUPQ-CABCVRRESA-N 1 1 318.425 -0.093 10 0 DBAEMO Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408033129 138204157 /nfs/dbraw/zinc/20/41/57/138204157.db2.gz IBKJZIKECUGGJV-CHWSQXEVSA-N 1 1 304.398 -0.072 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408033249 138204259 /nfs/dbraw/zinc/20/42/59/138204259.db2.gz JOKOTWHGMIPUHU-OLZOCXBDSA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000408033249 138204260 /nfs/dbraw/zinc/20/42/60/138204260.db2.gz JOKOTWHGMIPUHU-OLZOCXBDSA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000408033249 138204262 /nfs/dbraw/zinc/20/42/62/138204262.db2.gz JOKOTWHGMIPUHU-OLZOCXBDSA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408033250 138204375 /nfs/dbraw/zinc/20/43/75/138204375.db2.gz JOKOTWHGMIPUHU-QWHCGFSZSA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000408033250 138204376 /nfs/dbraw/zinc/20/43/76/138204376.db2.gz JOKOTWHGMIPUHU-QWHCGFSZSA-N 1 1 304.398 -0.099 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000408033250 138204377 /nfs/dbraw/zinc/20/43/77/138204377.db2.gz JOKOTWHGMIPUHU-QWHCGFSZSA-N 1 1 304.398 -0.099 10 0 DBAEMO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)cn1 ZINC000408032963 138204436 /nfs/dbraw/zinc/20/44/36/138204436.db2.gz FTKRSLPJXQUBMG-GJZGRUSLSA-N 1 1 319.409 -0.290 10 0 DBAEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408058786 138205335 /nfs/dbraw/zinc/20/53/35/138205335.db2.gz DRSFCRHFTXRPTA-GRYCIOLGSA-N 1 1 310.398 -0.704 10 0 DBAEMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cn1cnc2c1ncnc2N ZINC000408073433 138205644 /nfs/dbraw/zinc/20/56/44/138205644.db2.gz UASUFBQEQYFCMU-NXEZZACHSA-N 1 1 303.370 -0.041 10 0 DBAEMO C[C@@H]1CN(C(=O)Cn2cnc3c2ncnc3N)[C@@H](C)C[N@H+]1C ZINC000408073438 138206144 /nfs/dbraw/zinc/20/61/44/138206144.db2.gz UASUFBQEQYFCMU-ZJUUUORDSA-N 1 1 303.370 -0.041 10 0 DBAEMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408111957 138207538 /nfs/dbraw/zinc/20/75/38/138207538.db2.gz GPKKSZCWPVIAPB-JTQLQIEISA-N 1 1 304.354 -0.708 10 0 DBAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408111957 138207539 /nfs/dbraw/zinc/20/75/39/138207539.db2.gz GPKKSZCWPVIAPB-JTQLQIEISA-N 1 1 304.354 -0.708 10 0 DBAEMO C[N@H+]1CC[C@H]2CCN(C(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC000408144694 138208649 /nfs/dbraw/zinc/20/86/49/138208649.db2.gz MWRMLMQDSKHXAQ-RYUDHWBXSA-N 1 1 308.382 -0.129 10 0 DBAEMO C[C@@H]1C[C@H](C(=O)N2CCN(c3[nH+]ccn3C)CC2)CC(=O)N1 ZINC000408203125 138210768 /nfs/dbraw/zinc/21/07/68/138210768.db2.gz PFVIFPHCMFFAIQ-NEPJUHHUSA-N 1 1 305.382 -0.017 10 0 DBAEMO C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1[NH+]1CCOCC1 ZINC000408232108 138211697 /nfs/dbraw/zinc/21/16/97/138211697.db2.gz LVQRXJZHPPFZME-NWDGAFQWSA-N 1 1 322.365 -0.872 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000408435292 138218692 /nfs/dbraw/zinc/21/86/92/138218692.db2.gz MHOMMJGJVLZYLE-QWRGUYRKSA-N 1 1 304.416 -0.457 10 0 DBAEMO O=C([C@@H]1CSC[NH2+]1)N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000075033535 296063030 /nfs/dbraw/zinc/06/30/30/296063030.db2.gz VTMPAJMVGTWYFW-NWDGAFQWSA-N 1 1 313.423 -0.111 10 0 DBAEMO NC(=O)C[NH+]1CCC(C(=O)NC[C@H](O)c2ccc(O)cc2)CC1 ZINC000091350694 193044922 /nfs/dbraw/zinc/04/49/22/193044922.db2.gz BETYPHKOSWUGTE-AWEZNQCLSA-N 1 1 321.377 -0.261 10 0 DBAEMO O=C(CN1CCCCC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186711880 374255563 /nfs/dbraw/zinc/25/55/63/374255563.db2.gz VYWCZXISSOFYTL-CYBMUJFWSA-N 1 1 322.409 -0.578 10 0 DBAEMO CCS(=O)(=O)NCCCN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408039037 374690046 /nfs/dbraw/zinc/69/00/46/374690046.db2.gz RJFRHWSPSVHSPJ-OLZOCXBDSA-N 1 1 305.444 -0.279 10 0 DBAEMO C[C@@H]1C[C@@H](C(=O)N2CCN(c3[nH+]ccn3C)CC2)CC(=O)N1 ZINC000408203132 374783991 /nfs/dbraw/zinc/78/39/91/374783991.db2.gz PFVIFPHCMFFAIQ-VXGBXAGGSA-N 1 1 305.382 -0.017 10 0 DBAEMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408217873 374791518 /nfs/dbraw/zinc/79/15/18/374791518.db2.gz GGCCSSYEZOAHQL-RYUDHWBXSA-N 1 1 324.468 -0.081 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408217873 374791524 /nfs/dbraw/zinc/79/15/24/374791524.db2.gz GGCCSSYEZOAHQL-RYUDHWBXSA-N 1 1 324.468 -0.081 10 0 DBAEMO Cn1c(=O)ccn(CC(=O)N2CCC[N@H+](C3CC3)CC2)c1=O ZINC000148970937 374858969 /nfs/dbraw/zinc/85/89/69/374858969.db2.gz AYMTVXPEIHLNJI-UHFFFAOYSA-N 1 1 306.366 -0.756 10 0 DBAEMO CCc1nsc(N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)n1 ZINC000237082384 374949533 /nfs/dbraw/zinc/94/95/33/374949533.db2.gz NFNXPKKGVGWMBL-JTQLQIEISA-N 1 1 311.411 -0.263 10 0 DBAEMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883970 374911585 /nfs/dbraw/zinc/91/15/85/374911585.db2.gz HWMGGIFPXFWBJF-NEPJUHHUSA-N 1 1 309.370 -0.332 10 0 DBAEMO Cc1noc([C@@]23C[N@@H+](CCO)C[C@@H]2CCN(CCCO)C3)n1 ZINC000257190957 374978054 /nfs/dbraw/zinc/97/80/54/374978054.db2.gz OKIBKFOCCAJMHM-ZFWWWQNUSA-N 1 1 310.398 -0.372 10 0 DBAEMO Cc1noc([C@@]23CN(CCO)C[C@@H]2CC[N@H+](CCCO)C3)n1 ZINC000257190957 374978059 /nfs/dbraw/zinc/97/80/59/374978059.db2.gz OKIBKFOCCAJMHM-ZFWWWQNUSA-N 1 1 310.398 -0.372 10 0 DBAEMO Cc1noc([C@@]23CN(CCO)C[C@@H]2CC[N@@H+](CCCO)C3)n1 ZINC000257190957 374978066 /nfs/dbraw/zinc/97/80/66/374978066.db2.gz OKIBKFOCCAJMHM-ZFWWWQNUSA-N 1 1 310.398 -0.372 10 0 DBAEMO Cc1nc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c(=O)[nH]c1C ZINC000155965060 375076390 /nfs/dbraw/zinc/07/63/90/375076390.db2.gz AJCDSYWFXCKARG-LBPRGKRZSA-N 1 1 306.366 -0.020 10 0 DBAEMO Cc1nc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c(=O)[nH]c1C ZINC000155965060 375076394 /nfs/dbraw/zinc/07/63/94/375076394.db2.gz AJCDSYWFXCKARG-LBPRGKRZSA-N 1 1 306.366 -0.020 10 0 DBAEMO Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@H](N4CCOCC4)C3)C2=O)cn1 ZINC000246946482 375106327 /nfs/dbraw/zinc/10/63/27/375106327.db2.gz KGIOHGBWQIVHQV-HIFRSBDPSA-N 1 1 319.409 -0.068 10 0 DBAEMO Cn1cc(N2CC[C@H]([N@H+]3CC[C@@H](N4CCOCC4)C3)C2=O)cn1 ZINC000246946482 375106334 /nfs/dbraw/zinc/10/63/34/375106334.db2.gz KGIOHGBWQIVHQV-HIFRSBDPSA-N 1 1 319.409 -0.068 10 0 DBAEMO NC(=O)C[NH+]1CCC(Nc2ncnc3nc(N)ccc32)CC1 ZINC000090069756 375167708 /nfs/dbraw/zinc/16/77/08/375167708.db2.gz SKUODTKYGGGPSL-UHFFFAOYSA-N 1 1 301.354 -0.031 10 0 DBAEMO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171503992 375473455 /nfs/dbraw/zinc/47/34/55/375473455.db2.gz LNUOFMADTVMCPP-NSHDSACASA-N 1 1 310.354 -0.078 10 0 DBAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171503992 375473459 /nfs/dbraw/zinc/47/34/59/375473459.db2.gz LNUOFMADTVMCPP-NSHDSACASA-N 1 1 310.354 -0.078 10 0 DBAEMO O=C(Cn1nc2ccccn2c1=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171585973 375475351 /nfs/dbraw/zinc/47/53/51/375475351.db2.gz OPQYDBQOZIBTON-GFCCVEGCSA-N 1 1 301.350 -0.197 10 0 DBAEMO CC[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCOC ZINC000179512836 375522563 /nfs/dbraw/zinc/52/25/63/375522563.db2.gz FSPHXXWEIGDOHB-CQSZACIVSA-N 1 1 324.425 -0.373 10 0 DBAEMO CC[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCN1CCOC ZINC000179512836 375522566 /nfs/dbraw/zinc/52/25/66/375522566.db2.gz FSPHXXWEIGDOHB-CQSZACIVSA-N 1 1 324.425 -0.373 10 0 DBAEMO CC[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCN1CCOC ZINC000179512836 375522570 /nfs/dbraw/zinc/52/25/70/375522570.db2.gz FSPHXXWEIGDOHB-CQSZACIVSA-N 1 1 324.425 -0.373 10 0 DBAEMO CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000262600683 377036152 /nfs/dbraw/zinc/03/61/52/377036152.db2.gz CEVSTGWVKCTQER-OLZOCXBDSA-N 1 1 304.387 -0.764 10 0 DBAEMO O=C(NCCN1C(=O)c2ccccc2C1=O)[C@@H]1COCC[NH2+]1 ZINC000262616449 377068870 /nfs/dbraw/zinc/06/88/70/377068870.db2.gz LEUHPWSSGHFLFU-LBPRGKRZSA-N 1 1 303.318 -0.613 10 0 DBAEMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247095147 377132407 /nfs/dbraw/zinc/13/24/07/377132407.db2.gz HWMGGIFPXFWBJF-VXGBXAGGSA-N 1 1 309.370 -0.332 10 0 DBAEMO CC(C)(C)OC(=O)NCC[C@@H]1CN(S(N)(=O)=O)CC[NH2+]1 ZINC000616635826 377256666 /nfs/dbraw/zinc/25/66/66/377256666.db2.gz TZRATGZFWHNOBV-SECBINFHSA-N 1 1 308.404 -0.622 10 0 DBAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CCCNC1=O ZINC000637958556 377679353 /nfs/dbraw/zinc/67/93/53/377679353.db2.gz UYQMYWQKWKUBAA-KGLIPLIRSA-N 1 1 304.394 -0.160 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000248594474 378519728 /nfs/dbraw/zinc/51/97/28/378519728.db2.gz HVUCFCNQGBHRRK-FRRDWIJNSA-N 1 1 324.425 -0.154 10 0 DBAEMO C[C@@H](C(=O)N1CCC[C@](O)(C(N)=O)C1)[NH+]1CCSCC1 ZINC000367574781 378583399 /nfs/dbraw/zinc/58/33/99/378583399.db2.gz XELOHTFIBHDQPV-GXFFZTMASA-N 1 1 301.412 -0.738 10 0 DBAEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000312526835 378568202 /nfs/dbraw/zinc/56/82/02/378568202.db2.gz FIVAYDINVBQDTO-UPJWGTAASA-N 1 1 303.428 -0.527 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000312526835 378568215 /nfs/dbraw/zinc/56/82/15/378568215.db2.gz FIVAYDINVBQDTO-UPJWGTAASA-N 1 1 303.428 -0.527 10 0 DBAEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000312526831 378568671 /nfs/dbraw/zinc/56/86/71/378568671.db2.gz FIVAYDINVBQDTO-JHJVBQTASA-N 1 1 303.428 -0.527 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000312526831 378568676 /nfs/dbraw/zinc/56/86/76/378568676.db2.gz FIVAYDINVBQDTO-JHJVBQTASA-N 1 1 303.428 -0.527 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@@H]1C ZINC000248654431 378573536 /nfs/dbraw/zinc/57/35/36/378573536.db2.gz VWJDUGQTEPDFIM-RWMBFGLXSA-N 1 1 312.414 -0.296 10 0 DBAEMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000312574763 378585299 /nfs/dbraw/zinc/58/52/99/378585299.db2.gz MPDHQJDXRGWYHC-QWHCGFSZSA-N 1 1 305.444 -0.279 10 0 DBAEMO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)C[C@H]1CNCCO1 ZINC000312574763 378585303 /nfs/dbraw/zinc/58/53/03/378585303.db2.gz MPDHQJDXRGWYHC-QWHCGFSZSA-N 1 1 305.444 -0.279 10 0 DBAEMO C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnc4c3ncnc4N)C[C@H]2C1 ZINC000330227331 378529992 /nfs/dbraw/zinc/52/99/92/378529992.db2.gz BYGCZHCXLCCPKR-AOOOYVTPSA-N 1 1 301.354 -0.572 10 0 DBAEMO CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)n1 ZINC000168125492 378593304 /nfs/dbraw/zinc/59/33/04/378593304.db2.gz ZHLDCHAJSZPDIV-RYUDHWBXSA-N 1 1 323.397 -0.174 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117044144 379552239 /nfs/dbraw/zinc/55/22/39/379552239.db2.gz BLPRLEIEQXQCEJ-ZDUSSCGKSA-N 1 1 302.419 -0.463 10 0 DBAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000116278128 379521927 /nfs/dbraw/zinc/52/19/27/379521927.db2.gz AKHOOEFKCQDPBU-HZPDHXFCSA-N 1 1 324.469 -0.056 10 0 DBAEMO CCOCC[N@@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000120997370 379630857 /nfs/dbraw/zinc/63/08/57/379630857.db2.gz MZIMOZUYAOMUEX-HNNXBMFYSA-N 1 1 312.458 -0.197 10 0 DBAEMO CCOCC[N@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000120997370 379630868 /nfs/dbraw/zinc/63/08/68/379630868.db2.gz MZIMOZUYAOMUEX-HNNXBMFYSA-N 1 1 312.458 -0.197 10 0 DBAEMO Cc1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(=O)[nH]c1C ZINC000120869562 379632012 /nfs/dbraw/zinc/63/20/12/379632012.db2.gz HXBDFSQVCCBVKL-VHSXEESVSA-N 1 1 308.382 -0.086 10 0 DBAEMO Cc1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(=O)[nH]c1C ZINC000120869562 379632017 /nfs/dbraw/zinc/63/20/17/379632017.db2.gz HXBDFSQVCCBVKL-VHSXEESVSA-N 1 1 308.382 -0.086 10 0 DBAEMO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C(N)=O)O1 ZINC000122988300 379674443 /nfs/dbraw/zinc/67/44/43/379674443.db2.gz IDYMVBWMWHNTJQ-WZRBSPASSA-N 1 1 310.398 -0.245 10 0 DBAEMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC000174874484 379714463 /nfs/dbraw/zinc/71/44/63/379714463.db2.gz SHVVMYSCBDOLIS-RYUDHWBXSA-N 1 1 307.398 -0.008 10 0 DBAEMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC000174874484 379714476 /nfs/dbraw/zinc/71/44/76/379714476.db2.gz SHVVMYSCBDOLIS-RYUDHWBXSA-N 1 1 307.398 -0.008 10 0 DBAEMO C[C@@H]1CN(C(=O)NCC(=O)NCC2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000183800642 379754430 /nfs/dbraw/zinc/75/44/30/379754430.db2.gz ZIZYRMOBBNWGDU-OCCSQVGLSA-N 1 1 324.425 -0.125 10 0 DBAEMO CCS(=O)(=O)N(C)CC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000176277845 379719486 /nfs/dbraw/zinc/71/94/86/379719486.db2.gz HDRTTZAFEVLHOM-UHFFFAOYSA-N 1 1 303.428 -0.035 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H](C)O[C@H](C(N)=O)C2)CC1 ZINC000177263320 379725181 /nfs/dbraw/zinc/72/51/81/379725181.db2.gz OGIUWAXANFWGOJ-UPJWGTAASA-N 1 1 312.414 -0.886 10 0 DBAEMO CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177241057 379726575 /nfs/dbraw/zinc/72/65/75/379726575.db2.gz IYOPNPKXZQWVFP-CHWSQXEVSA-N 1 1 312.414 -0.125 10 0 DBAEMO CN(C)c1ncc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000179156886 379738918 /nfs/dbraw/zinc/73/89/18/379738918.db2.gz ZZMHEAFASAWLLW-GFCCVEGCSA-N 1 1 318.381 -0.212 10 0 DBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)C[C@@H]1N1CCOCC1 ZINC000180536490 379745504 /nfs/dbraw/zinc/74/55/04/379745504.db2.gz KQRYHGKSUYWIEE-CABCVRRESA-N 1 1 310.442 -0.587 10 0 DBAEMO CCN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)CC1=O ZINC000181387789 379749782 /nfs/dbraw/zinc/74/97/82/379749782.db2.gz SLDAPWYVEAGGCW-YPMHNXCESA-N 1 1 305.382 -0.239 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000181799902 379749867 /nfs/dbraw/zinc/74/98/67/379749867.db2.gz JVNFZMLPQPWQSX-CHWSQXEVSA-N 1 1 322.413 -0.309 10 0 DBAEMO COC(=O)NCC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000173278656 379704388 /nfs/dbraw/zinc/70/43/88/379704388.db2.gz NLQCVYJOUPBUKR-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO C[C@@H](CNC(=O)N1CCCNC(=O)[C@H]1C)C[NH+]1CCOCC1 ZINC000191452943 379789373 /nfs/dbraw/zinc/78/93/73/379789373.db2.gz LIWIKHPPYZQCDE-QWHCGFSZSA-N 1 1 312.414 -0.125 10 0 DBAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(Cc2ccco2)CC1 ZINC000185167298 379758574 /nfs/dbraw/zinc/75/85/74/379758574.db2.gz WFMCWFIONAQGOS-ZIAGYGMSSA-N 1 1 323.393 -0.649 10 0 DBAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(Cc2ccco2)CC1 ZINC000185167298 379758582 /nfs/dbraw/zinc/75/85/82/379758582.db2.gz WFMCWFIONAQGOS-ZIAGYGMSSA-N 1 1 323.393 -0.649 10 0 DBAEMO CC(C)C(=O)NCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185244637 379759898 /nfs/dbraw/zinc/75/98/98/379759898.db2.gz UWBXHSLUBDRPIM-CHWSQXEVSA-N 1 1 314.430 -0.145 10 0 DBAEMO CC(C)NC(=O)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185303923 379760776 /nfs/dbraw/zinc/76/07/76/379760776.db2.gz KRCJYQSDMWULQK-CHWSQXEVSA-N 1 1 314.430 -0.002 10 0 DBAEMO COCC[NH+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000105282807 379873284 /nfs/dbraw/zinc/87/32/84/379873284.db2.gz IUMHJZPNTAOIAC-CYBMUJFWSA-N 1 1 300.403 -0.709 10 0 DBAEMO C[C@@H]1C[N@H+](C2CCN(CCNS(C)(=O)=O)CC2)CCO1 ZINC000107367733 379876209 /nfs/dbraw/zinc/87/62/09/379876209.db2.gz JZZZBHBKSRYWQK-GFCCVEGCSA-N 1 1 305.444 -0.279 10 0 DBAEMO Cn1ccnc1C[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000123633049 379887141 /nfs/dbraw/zinc/88/71/41/379887141.db2.gz LXTUIRWNRFLYKC-ZDUSSCGKSA-N 1 1 319.409 -0.367 10 0 DBAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)C3=NNC(=O)CC3)CC2)CCO1 ZINC000124298770 379890430 /nfs/dbraw/zinc/89/04/30/379890430.db2.gz ZBNZRDLIFNIQKD-LLVKDONJSA-N 1 1 308.382 -0.036 10 0 DBAEMO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N3CCNC(=O)C3)C2)no1 ZINC000195517917 379931723 /nfs/dbraw/zinc/93/17/23/379931723.db2.gz XZWLWGCXMXJEJI-LBPRGKRZSA-N 1 1 321.381 -0.409 10 0 DBAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)no1 ZINC000195517917 379931725 /nfs/dbraw/zinc/93/17/25/379931725.db2.gz XZWLWGCXMXJEJI-LBPRGKRZSA-N 1 1 321.381 -0.409 10 0 DBAEMO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000195337704 379931744 /nfs/dbraw/zinc/93/17/44/379931744.db2.gz PFAXRBOKQCWXKX-NSHDSACASA-N 1 1 306.370 -0.714 10 0 DBAEMO CNC(=O)NC(=O)C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509062 379931926 /nfs/dbraw/zinc/93/19/26/379931926.db2.gz MAGJFKICAHOGFO-UHFFFAOYSA-N 1 1 309.370 -0.490 10 0 DBAEMO CN1CC(=O)N(CCCC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000195319153 379932749 /nfs/dbraw/zinc/93/27/49/379932749.db2.gz XZRWOPCSPSGZOV-LBPRGKRZSA-N 1 1 308.382 -0.033 10 0 DBAEMO CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000246794558 380099124 /nfs/dbraw/zinc/09/91/24/380099124.db2.gz AQWVTWCEJXGYPB-HZPDHXFCSA-N 1 1 324.469 -0.055 10 0 DBAEMO CC[C@@H]1CN(CCCC(=O)NC(N)=O)CC[N@H+]1C[C@H](C)O ZINC000247098214 380101366 /nfs/dbraw/zinc/10/13/66/380101366.db2.gz IAKXVOIDFHWEHQ-NWDGAFQWSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)CCN1C[C@H](C)O ZINC000247098214 380101370 /nfs/dbraw/zinc/10/13/70/380101370.db2.gz IAKXVOIDFHWEHQ-NWDGAFQWSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@@H]1C[N@@H+](CCCC(=O)NC(N)=O)CCN1C[C@H](C)O ZINC000247098214 380101375 /nfs/dbraw/zinc/10/13/75/380101375.db2.gz IAKXVOIDFHWEHQ-NWDGAFQWSA-N 1 1 300.403 -0.262 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000247079007 380103763 /nfs/dbraw/zinc/10/37/63/380103763.db2.gz LHLNBUXTOKZGRL-OLZOCXBDSA-N 1 1 312.414 -0.044 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000247079007 380103767 /nfs/dbraw/zinc/10/37/67/380103767.db2.gz LHLNBUXTOKZGRL-OLZOCXBDSA-N 1 1 312.414 -0.044 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(Cc2nc(N)nc(N(C)C)n2)C[C@@H]1C ZINC000247602554 380105303 /nfs/dbraw/zinc/10/53/03/380105303.db2.gz LEQVGTKCKZDKAX-QWRGUYRKSA-N 1 1 309.418 -0.593 10 0 DBAEMO CC(C)NC(=O)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248609985 380110732 /nfs/dbraw/zinc/11/07/32/380110732.db2.gz KRCJYQSDMWULQK-OLZOCXBDSA-N 1 1 314.430 -0.002 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCS(=O)(=O)NC ZINC000249163945 380113111 /nfs/dbraw/zinc/11/31/11/380113111.db2.gz JVDWZFHHDZHDJM-RYUDHWBXSA-N 1 1 318.443 -0.196 10 0 DBAEMO CO[C@H]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)N(S(C)(=O)=O)C1 ZINC000370499601 380569846 /nfs/dbraw/zinc/56/98/46/380569846.db2.gz NFHSQDXFYPPRJJ-SDDRHHMPSA-N 1 1 319.427 -0.897 10 0 DBAEMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](OC)C1 ZINC000629285571 380622156 /nfs/dbraw/zinc/62/21/56/380622156.db2.gz VFRLDWQLOHQTBM-UTUOFQBUSA-N 1 1 319.427 -0.706 10 0 DBAEMO O=C(c1cnccn1)N1CCC2(C[C@@H]3C(=O)NCC[N@@H+]3C2)CC1 ZINC000169787684 380653312 /nfs/dbraw/zinc/65/33/12/380653312.db2.gz QGCGMTFOCPWJLU-CYBMUJFWSA-N 1 1 315.377 -0.097 10 0 DBAEMO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1COCC[NH2+]1 ZINC000238008662 381138487 /nfs/dbraw/zinc/13/84/87/381138487.db2.gz HJOAZJKLTOOPDJ-HOTGVXAUSA-N 1 1 319.405 -0.008 10 0 DBAEMO CCC[N@H+](C[C@@H](O)CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000246183776 381577824 /nfs/dbraw/zinc/57/78/24/381577824.db2.gz HILPGZYBUYLXMY-QWHCGFSZSA-N 1 1 318.439 -0.131 10 0 DBAEMO CCC[N@@H+](C[C@@H](O)CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000246183776 381577829 /nfs/dbraw/zinc/57/78/29/381577829.db2.gz HILPGZYBUYLXMY-QWHCGFSZSA-N 1 1 318.439 -0.131 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000247206158 381595176 /nfs/dbraw/zinc/59/51/76/381595176.db2.gz XOZXANAOYUHPNH-RYUDHWBXSA-N 1 1 323.397 -0.338 10 0 DBAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(C)n2)CC[N@H+]1C[C@H](C)O ZINC000247206158 381595183 /nfs/dbraw/zinc/59/51/83/381595183.db2.gz XOZXANAOYUHPNH-RYUDHWBXSA-N 1 1 323.397 -0.338 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NCCNC(=O)C2CC2)C[C@@H]1C ZINC000172322121 381892280 /nfs/dbraw/zinc/89/22/80/381892280.db2.gz CRHPOXPMLKAXIO-LBPRGKRZSA-N 1 1 312.414 -0.125 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NCCNC(=O)C2CC2)C[C@@H]1C ZINC000172322121 381892287 /nfs/dbraw/zinc/89/22/87/381892287.db2.gz CRHPOXPMLKAXIO-LBPRGKRZSA-N 1 1 312.414 -0.125 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC000172326494 381893207 /nfs/dbraw/zinc/89/32/07/381893207.db2.gz PGFQBJOIRFJNOU-NEPJUHHUSA-N 1 1 300.403 -0.175 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC000172326494 381893220 /nfs/dbraw/zinc/89/32/20/381893220.db2.gz PGFQBJOIRFJNOU-NEPJUHHUSA-N 1 1 300.403 -0.175 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCCC(=O)N(C)C)CC1 ZINC000184870919 382104683 /nfs/dbraw/zinc/10/46/83/382104683.db2.gz DTKGSSFZGRDTFL-LBPRGKRZSA-N 1 1 300.403 -0.437 10 0 DBAEMO Cc1nc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)cn1C ZINC000404153581 382405333 /nfs/dbraw/zinc/40/53/33/382405333.db2.gz NNVIRJMCMKIYTA-GHMZBOCLSA-N 1 1 300.384 -0.520 10 0 DBAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000170958753 382568811 /nfs/dbraw/zinc/56/88/11/382568811.db2.gz HSBYUBDZDBJCGZ-TZMCWYRMSA-N 1 1 308.426 -0.108 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@@H]1C ZINC000162930353 382640452 /nfs/dbraw/zinc/64/04/52/382640452.db2.gz DWWMKCZKNJBAMI-QWHCGFSZSA-N 1 1 312.414 -0.031 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@@H]1C ZINC000162930353 382640453 /nfs/dbraw/zinc/64/04/53/382640453.db2.gz DWWMKCZKNJBAMI-QWHCGFSZSA-N 1 1 312.414 -0.031 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000171195928 382648400 /nfs/dbraw/zinc/64/84/00/382648400.db2.gz NZEIUYLAVJDNRE-CYBMUJFWSA-N 1 1 302.419 -0.416 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000171212050 382649414 /nfs/dbraw/zinc/64/94/14/382649414.db2.gz NFTIWPHDVYFTLT-CYBMUJFWSA-N 1 1 300.403 -0.125 10 0 DBAEMO Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@H](N4CCOCC4)C3)C2=O)cn1 ZINC000173952553 382694290 /nfs/dbraw/zinc/69/42/90/382694290.db2.gz KGIOHGBWQIVHQV-DZGCQCFKSA-N 1 1 319.409 -0.068 10 0 DBAEMO Cn1cc(N2CC[C@@H]([N@H+]3CC[C@H](N4CCOCC4)C3)C2=O)cn1 ZINC000173952553 382694291 /nfs/dbraw/zinc/69/42/91/382694291.db2.gz KGIOHGBWQIVHQV-DZGCQCFKSA-N 1 1 319.409 -0.068 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246356190 382694937 /nfs/dbraw/zinc/69/49/37/382694937.db2.gz GQASHXYSVGALCE-NWDGAFQWSA-N 1 1 318.443 -0.196 10 0 DBAEMO Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)c1 ZINC000174805815 382695393 /nfs/dbraw/zinc/69/53/93/382695393.db2.gz XEFACEKZXFAUBK-KGLIPLIRSA-N 1 1 308.382 -0.250 10 0 DBAEMO Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)c1 ZINC000174805815 382695394 /nfs/dbraw/zinc/69/53/94/382695394.db2.gz XEFACEKZXFAUBK-KGLIPLIRSA-N 1 1 308.382 -0.250 10 0 DBAEMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246603165 382695630 /nfs/dbraw/zinc/69/56/30/382695630.db2.gz XPQSKJNPLSEVOY-AVGNSLFASA-N 1 1 312.414 -0.127 10 0 DBAEMO COCC(=O)N1CC[C@@H]2CO[C@@H](CN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000248041299 257110893 /nfs/dbraw/zinc/11/08/93/257110893.db2.gz OLUWGQJNPGBUBR-KFWWJZLASA-N 1 1 311.426 -0.256 10 0 DBAEMO COCC[N@H+]1C[C@@H]2OC[C@@H](C(=O)NCc3cnc(C)cn3)[C@@H]2C1 ZINC000253601249 257104558 /nfs/dbraw/zinc/10/45/58/257104558.db2.gz NKESYTGGBLGJDV-ZNMIVQPWSA-N 1 1 320.393 -0.006 10 0 DBAEMO Cn1ccnc1[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCN1C ZINC000276801559 257257521 /nfs/dbraw/zinc/25/75/21/257257521.db2.gz WGSAJYKQPNQPCM-QWHCGFSZSA-N 1 1 307.398 -0.434 10 0 DBAEMO Cn1ccnc1[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C ZINC000276801559 257257522 /nfs/dbraw/zinc/25/75/22/257257522.db2.gz WGSAJYKQPNQPCM-QWHCGFSZSA-N 1 1 307.398 -0.434 10 0 DBAEMO CCN1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)C1 ZINC000248471369 285356066 /nfs/dbraw/zinc/35/60/66/285356066.db2.gz VQABLWZIDPUACE-UONOGXRCSA-N 1 1 307.398 -0.386 10 0 DBAEMO Cn1ccnc(N2CCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1=O ZINC000275717223 130370862 /nfs/dbraw/zinc/37/08/62/130370862.db2.gz OCUCEPUEYBICPA-CHWSQXEVSA-N 1 1 319.409 -0.041 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000187068943 391949438 /nfs/dbraw/zinc/94/94/38/391949438.db2.gz MNAGBANVVZJUAX-GFCCVEGCSA-N 1 1 318.443 -0.339 10 0 DBAEMO CC[N@@H+](CCO)CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000187122374 391949661 /nfs/dbraw/zinc/94/96/61/391949661.db2.gz LESCAVCPYMBRRS-CYBMUJFWSA-N 1 1 302.419 -0.680 10 0 DBAEMO CC[N@@H+](CCO)CCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000187122395 391950522 /nfs/dbraw/zinc/95/05/22/391950522.db2.gz LESCAVCPYMBRRS-ZDUSSCGKSA-N 1 1 302.419 -0.680 10 0 DBAEMO NC(=O)[C@@]1(O)CCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000286035456 131216708 /nfs/dbraw/zinc/21/67/08/131216708.db2.gz DNQQKLVLPKZPFQ-GOEBONIOSA-N 1 1 308.378 -0.124 10 0 DBAEMO Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)cn1 ZINC000286346971 131232138 /nfs/dbraw/zinc/23/21/38/131232138.db2.gz XJKHAWOEZRXYRX-IUODEOHRSA-N 1 1 321.381 -0.772 10 0 DBAEMO Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)cn1 ZINC000286346971 131232139 /nfs/dbraw/zinc/23/21/39/131232139.db2.gz XJKHAWOEZRXYRX-IUODEOHRSA-N 1 1 321.381 -0.772 10 0 DBAEMO CNC(=O)[C@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000178436320 392675471 /nfs/dbraw/zinc/67/54/71/392675471.db2.gz YCVLGDSIGVAPJU-QWHCGFSZSA-N 1 1 313.446 -0.308 10 0 DBAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCS(N)(=O)=O ZINC000178974866 392682135 /nfs/dbraw/zinc/68/21/35/392682135.db2.gz KRFHZYNMLTVWTM-LLVKDONJSA-N 1 1 306.432 -0.306 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408030020 392687802 /nfs/dbraw/zinc/68/78/02/392687802.db2.gz XDWWEQHSCYNYQR-UTUOFQBUSA-N 1 1 319.427 -0.802 10 0 DBAEMO CCOCC[N@H+]1CCN(CC(=O)NC(=O)NC)C[C@H]1CC ZINC000105837539 392641334 /nfs/dbraw/zinc/64/13/34/392641334.db2.gz RVKCFVZDBWEVFB-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H]1Cn1ccnn1 ZINC000408039518 392691534 /nfs/dbraw/zinc/69/15/34/392691534.db2.gz VYGZNJRVLXWNJR-KBPBESRZSA-N 1 1 304.398 -0.341 10 0 DBAEMO CNS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000407951776 392663962 /nfs/dbraw/zinc/66/39/62/392663962.db2.gz TYZFGUXDCMTELB-OLZOCXBDSA-N 1 1 305.444 -0.422 10 0 DBAEMO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000583618115 392723840 /nfs/dbraw/zinc/72/38/40/392723840.db2.gz BIMGPBYTKMJMOW-GJZGRUSLSA-N 1 1 311.426 -0.066 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC000106395125 392792050 /nfs/dbraw/zinc/79/20/50/392792050.db2.gz PUGLLRQTRJIEKD-OLZOCXBDSA-N 1 1 312.414 -0.308 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(C(N)=O)o2)CC1 ZINC000181895720 392794386 /nfs/dbraw/zinc/79/43/86/392794386.db2.gz CJGQBTMBZFTUEE-NSHDSACASA-N 1 1 324.381 -0.023 10 0 DBAEMO CN(CC(=O)NCC[C@@H]1CC[NH2+]C1)c1ncnc2[nH]cnc21 ZINC000262573433 392866131 /nfs/dbraw/zinc/86/61/31/392866131.db2.gz GOLPXAGHJLHHSA-JTQLQIEISA-N 1 1 303.370 -0.095 10 0 DBAEMO CN1CCO[C@@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC000328931902 393032200 /nfs/dbraw/zinc/03/22/00/393032200.db2.gz ZYDASDMWVFPJOM-NWDGAFQWSA-N 1 1 310.398 -0.074 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(C)c2C)CC1 ZINC000189473352 393048832 /nfs/dbraw/zinc/04/88/32/393048832.db2.gz CXTHQQFSSLDOCK-GFCCVEGCSA-N 1 1 323.397 -0.418 10 0 DBAEMO CO[C@@H]1COC[C@@H]1NC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000333620082 393360651 /nfs/dbraw/zinc/36/06/51/393360651.db2.gz PKDLYFHGQJLHRI-YVECIDJPSA-N 1 1 301.387 -0.503 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173821828 393480162 /nfs/dbraw/zinc/48/01/62/393480162.db2.gz XMOMVNHUTFQXIG-AWEZNQCLSA-N 1 1 314.430 -0.319 10 0 DBAEMO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+](CCO)CCCO ZINC000264733421 393425457 /nfs/dbraw/zinc/42/54/57/393425457.db2.gz PYTJZTQULWPIGC-LBPRGKRZSA-N 1 1 322.361 -0.680 10 0 DBAEMO CC(C)[C@@H](CNC(=O)C1=NNC(=O)CC1)N1CC[NH+](C)CC1 ZINC000120389589 393461604 /nfs/dbraw/zinc/46/16/04/393461604.db2.gz MYRDRNLEVHXJAV-CYBMUJFWSA-N 1 1 309.414 -0.359 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000181713181 393487823 /nfs/dbraw/zinc/48/78/23/393487823.db2.gz VSQOGXCLXYQHRK-UONOGXRCSA-N 1 1 314.430 -0.585 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)N1CCOCC1 ZINC000181857678 393488066 /nfs/dbraw/zinc/48/80/66/393488066.db2.gz RSXBSZIWNKNKLU-QWHCGFSZSA-N 1 1 310.398 -0.277 10 0 DBAEMO CN1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000191076042 393495326 /nfs/dbraw/zinc/49/53/26/393495326.db2.gz QORAVBDRZFVGLH-LBPRGKRZSA-N 1 1 303.428 -0.178 10 0 DBAEMO CN1CCC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000191076042 393495332 /nfs/dbraw/zinc/49/53/32/393495332.db2.gz QORAVBDRZFVGLH-LBPRGKRZSA-N 1 1 303.428 -0.178 10 0 DBAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)C1 ZINC000266868245 393597771 /nfs/dbraw/zinc/59/77/71/393597771.db2.gz CHZDJLLCVZJEAI-GXFFZTMASA-N 1 1 321.381 -0.455 10 0 DBAEMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)C1 ZINC000266868245 393597774 /nfs/dbraw/zinc/59/77/74/393597774.db2.gz CHZDJLLCVZJEAI-GXFFZTMASA-N 1 1 321.381 -0.455 10 0 DBAEMO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000246813969 287230441 /nfs/dbraw/zinc/23/04/41/287230441.db2.gz BVMKLMMPNNNVLA-NEPJUHHUSA-N 1 1 324.468 -0.081 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCS(C)(=O)=O ZINC000246813969 287230442 /nfs/dbraw/zinc/23/04/42/287230442.db2.gz BVMKLMMPNNNVLA-NEPJUHHUSA-N 1 1 324.468 -0.081 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328831779 544454407 /nfs/dbraw/zinc/45/44/07/544454407.db2.gz RIHJHDOBQWMDGA-CHWSQXEVSA-N 1 1 308.382 -0.272 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328831779 544454411 /nfs/dbraw/zinc/45/44/11/544454411.db2.gz RIHJHDOBQWMDGA-CHWSQXEVSA-N 1 1 308.382 -0.272 10 0 DBAEMO Cn1ccnc1[C@@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CCN1C ZINC000329916629 544495072 /nfs/dbraw/zinc/49/50/72/544495072.db2.gz QIGPFWVJFIQYHM-KGLIPLIRSA-N 1 1 321.425 -0.308 10 0 DBAEMO Cn1ccnc1[C@@H]1C[N@@H+](C[C@@H](O)CN2CCCC2=O)CCN1C ZINC000329916629 544495075 /nfs/dbraw/zinc/49/50/75/544495075.db2.gz QIGPFWVJFIQYHM-KGLIPLIRSA-N 1 1 321.425 -0.308 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](c3noc(C)n3)C2)[N@H+](C)C1 ZINC000329014587 544460120 /nfs/dbraw/zinc/46/01/20/544460120.db2.gz FVPOFBMJPAJHTK-SRVKXCTJSA-N 1 1 310.354 -0.003 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](c3noc(C)n3)C2)[N@@H+](C)C1 ZINC000329014587 544460123 /nfs/dbraw/zinc/46/01/23/544460123.db2.gz FVPOFBMJPAJHTK-SRVKXCTJSA-N 1 1 310.354 -0.003 10 0 DBAEMO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000329489083 544482382 /nfs/dbraw/zinc/48/23/82/544482382.db2.gz HIIQYCMESHBUMC-ZDUSSCGKSA-N 1 1 307.398 0.248 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC000329679932 544486486 /nfs/dbraw/zinc/48/64/86/544486486.db2.gz XPFDHRUFDLBZCD-GFCCVEGCSA-N 1 1 311.382 -0.295 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C ZINC000329679932 544486489 /nfs/dbraw/zinc/48/64/89/544486489.db2.gz XPFDHRUFDLBZCD-GFCCVEGCSA-N 1 1 311.382 -0.295 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000329669952 544486951 /nfs/dbraw/zinc/48/69/51/544486951.db2.gz SRHBGCWYOQQEPF-NSHDSACASA-N 1 1 312.370 -0.052 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000329669952 544486957 /nfs/dbraw/zinc/48/69/57/544486957.db2.gz SRHBGCWYOQQEPF-NSHDSACASA-N 1 1 312.370 -0.052 10 0 DBAEMO CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000332759107 544546695 /nfs/dbraw/zinc/54/66/95/544546695.db2.gz VYDBDRUSNRADFN-OLZOCXBDSA-N 1 1 317.455 -0.294 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000332759107 544546700 /nfs/dbraw/zinc/54/67/00/544546700.db2.gz VYDBDRUSNRADFN-OLZOCXBDSA-N 1 1 317.455 -0.294 10 0 DBAEMO CC[C@@H]1CN(C(=O)Cc2cnnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000669317919 544551303 /nfs/dbraw/zinc/55/13/03/544551303.db2.gz AOKIDOMCPLKBPA-OCCSQVGLSA-N 1 1 307.398 -0.073 10 0 DBAEMO CN1CCN(c2cc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)ccn2)CC1 ZINC000262371401 544658504 /nfs/dbraw/zinc/65/85/04/544658504.db2.gz WETYGFKPKGUHER-KGLIPLIRSA-N 1 1 319.409 -0.857 10 0 DBAEMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NN2CCOCC2)CC1=O ZINC000114876862 276184585 /nfs/dbraw/zinc/18/45/85/276184585.db2.gz DCVPTMYLIMQJMI-KGLIPLIRSA-N 1 1 324.425 -0.317 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000174928720 277127172 /nfs/dbraw/zinc/12/71/72/277127172.db2.gz OXCFIJMROBTOEI-OLZOCXBDSA-N 1 1 305.382 -0.108 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000174928720 277127173 /nfs/dbraw/zinc/12/71/73/277127173.db2.gz OXCFIJMROBTOEI-OLZOCXBDSA-N 1 1 305.382 -0.108 10 0 DBAEMO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000377684003 280024384 /nfs/dbraw/zinc/02/43/84/280024384.db2.gz VPMCYQLJLQBHKZ-CHWSQXEVSA-N 1 1 305.444 -0.279 10 0 DBAEMO CCS(=O)(=O)NCCN1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377684003 280024389 /nfs/dbraw/zinc/02/43/89/280024389.db2.gz VPMCYQLJLQBHKZ-CHWSQXEVSA-N 1 1 305.444 -0.279 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000181713200 280204477 /nfs/dbraw/zinc/20/44/77/280204477.db2.gz VSQOGXCLXYQHRK-ZIAGYGMSSA-N 1 1 314.430 -0.585 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)CC)CC1 ZINC000187877820 280204779 /nfs/dbraw/zinc/20/47/79/280204779.db2.gz RQWLVHZOIYBDJW-QWHCGFSZSA-N 1 1 314.430 -0.049 10 0 DBAEMO CC[C@H]1CN(C(=O)NCC(=O)N(C)CC)CC[N@H+]1C[C@H](C)O ZINC000251552832 281135447 /nfs/dbraw/zinc/13/54/47/281135447.db2.gz HUADFECICLTZAN-STQMWFEESA-N 1 1 314.430 -0.049 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC(=O)N(C)C ZINC000190338005 288307827 /nfs/dbraw/zinc/30/78/27/288307827.db2.gz MFTQLUWDQDVDIQ-NWDGAFQWSA-N 1 1 310.398 -0.724 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](C)C1 ZINC000330174837 290107106 /nfs/dbraw/zinc/10/71/06/290107106.db2.gz IOBXYZJTPRRDNN-YYFQZIEXSA-N 1 1 312.410 -0.049 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](C)C1 ZINC000330174837 290107108 /nfs/dbraw/zinc/10/71/08/290107108.db2.gz IOBXYZJTPRRDNN-YYFQZIEXSA-N 1 1 312.410 -0.049 10 0 DBAEMO NS(=O)(=O)N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000408228828 295284918 /nfs/dbraw/zinc/28/49/18/295284918.db2.gz JWCGLQDVBLZRJZ-LBPRGKRZSA-N 1 1 307.416 -0.259 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNS(C)(=O)=O ZINC000247466087 297098255 /nfs/dbraw/zinc/09/82/55/297098255.db2.gz RGUBMRYVWGRCFU-MNOVXSKESA-N 1 1 304.416 -0.586 10 0 DBAEMO C[C@H](NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C(=O)N1CCCCC1 ZINC000193607976 299058302 /nfs/dbraw/zinc/05/83/02/299058302.db2.gz PEZZCDXYZBPPSJ-SOUVJXGZSA-N 1 1 322.453 -0.003 10 0 DBAEMO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCS(C)(=O)=O ZINC000121434359 300316161 /nfs/dbraw/zinc/31/61/61/300316161.db2.gz GGCCSSYEZOAHQL-NWDGAFQWSA-N 1 1 324.468 -0.081 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCS(C)(=O)=O ZINC000121434359 300316166 /nfs/dbraw/zinc/31/61/66/300316166.db2.gz GGCCSSYEZOAHQL-NWDGAFQWSA-N 1 1 324.468 -0.081 10 0 DBAEMO CC(=O)NCCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000105817393 519657466 /nfs/dbraw/zinc/65/74/66/519657466.db2.gz FWTUHQHJQVAVPC-UHFFFAOYSA-N 1 1 303.370 -0.228 10 0 DBAEMO CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@@H](C)CS(C)(=O)=O ZINC000112732203 521261132 /nfs/dbraw/zinc/26/11/32/521261132.db2.gz LOFBAEQZUHXFAK-RYUDHWBXSA-N 1 1 306.428 -0.275 10 0 DBAEMO CC[N@@H+](C[C@H](O)CN1CCCC1=O)[C@@H](C)CS(C)(=O)=O ZINC000112732203 521261143 /nfs/dbraw/zinc/26/11/43/521261143.db2.gz LOFBAEQZUHXFAK-RYUDHWBXSA-N 1 1 306.428 -0.275 10 0 DBAEMO CCN1CCN(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C(=O)C1=O ZINC000246966758 521674867 /nfs/dbraw/zinc/67/48/67/521674867.db2.gz DNWCUWLDSNGPRC-CHWSQXEVSA-N 1 1 322.409 -0.628 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105137332 521677872 /nfs/dbraw/zinc/67/78/72/521677872.db2.gz MTKYNLORKQRXFJ-UHFFFAOYSA-N 1 1 304.416 -0.585 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105137322 521677879 /nfs/dbraw/zinc/67/78/79/521677879.db2.gz SUSIBSKMJQXLMH-GFCCVEGCSA-N 1 1 318.443 -0.195 10 0 DBAEMO CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000333565730 523116848 /nfs/dbraw/zinc/11/68/48/523116848.db2.gz RFYSUWJXFXPHSI-FRRDWIJNSA-N 1 1 308.386 -0.046 10 0 DBAEMO CC[C@@H]1CN(C(=O)NCCNC(C)=O)CC[N@H+]1CCOC ZINC000117469849 523395156 /nfs/dbraw/zinc/39/51/56/523395156.db2.gz XCPVOPVMGMBCQA-CYBMUJFWSA-N 1 1 300.403 -0.125 10 0 DBAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[S@](C)=O)CC1 ZINC000157858991 523819489 /nfs/dbraw/zinc/81/94/89/523819489.db2.gz HFFWFYWYDOQOLP-XUSGNXJCSA-N 1 1 315.439 -0.480 10 0 DBAEMO COCC[N@@H+]1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000105834032 523854428 /nfs/dbraw/zinc/85/44/28/523854428.db2.gz DHHOIMPEQZNUMY-STQMWFEESA-N 1 1 314.430 -0.768 10 0 DBAEMO COCC[N@H+]1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000105834032 523854430 /nfs/dbraw/zinc/85/44/30/523854430.db2.gz DHHOIMPEQZNUMY-STQMWFEESA-N 1 1 314.430 -0.768 10 0 DBAEMO CN1CCO[C@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000105070226 523949502 /nfs/dbraw/zinc/94/95/02/523949502.db2.gz CTFBAFZZKMPHOY-CYBMUJFWSA-N 1 1 300.403 -0.662 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000246958195 525089097 /nfs/dbraw/zinc/08/90/97/525089097.db2.gz DIMJAFZYJHMCPB-RDBSUJKOSA-N 1 1 308.426 -0.121 10 0 DBAEMO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333591922 525573501 /nfs/dbraw/zinc/57/35/01/525573501.db2.gz OOOQRAXJKOBNKY-AVGNSLFASA-N 1 1 310.398 -0.230 10 0 DBAEMO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000408405807 535846414 /nfs/dbraw/zinc/84/64/14/535846414.db2.gz KUIJGHQGBBIOSS-ZDUSSCGKSA-N 1 1 321.443 -0.658 10 0 DBAEMO CC[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000408430762 536156872 /nfs/dbraw/zinc/15/68/72/536156872.db2.gz XYVVIPKFJAQZMP-STQMWFEESA-N 1 1 321.443 -0.660 10 0 DBAEMO CC[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000408430762 536156873 /nfs/dbraw/zinc/15/68/73/536156873.db2.gz XYVVIPKFJAQZMP-STQMWFEESA-N 1 1 321.443 -0.660 10 0 DBAEMO CNC(=O)NC(=O)CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000408081723 536322476 /nfs/dbraw/zinc/32/24/76/536322476.db2.gz OADNCSCFRLCEPR-LBPRGKRZSA-N 1 1 311.430 -0.458 10 0 DBAEMO CNC(=O)NC(=O)CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000408081723 536322478 /nfs/dbraw/zinc/32/24/78/536322478.db2.gz OADNCSCFRLCEPR-LBPRGKRZSA-N 1 1 311.430 -0.458 10 0 DBAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000408148555 536366702 /nfs/dbraw/zinc/36/67/02/536366702.db2.gz BYPGSODCCBQSSZ-NWDGAFQWSA-N 1 1 303.428 -0.132 10 0 DBAEMO CN1C(=O)C(=O)N(C[NH+]2CCC(Cn3cccn3)CC2)C1=O ZINC000152744987 664901095 /nfs/dbraw/zinc/90/10/95/664901095.db2.gz HXIZMQQJUGDYSI-UHFFFAOYSA-N 1 1 305.338 -0.027 10 0 DBAEMO CN(C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000408018429 282137334 /nfs/dbraw/zinc/13/73/34/282137334.db2.gz RPMFBERGIGTHQB-RYUDHWBXSA-N 1 1 319.427 -0.512 10 0 DBAEMO O=c1c2nnc3ncnn3c2ccn1CCC[NH+]1CCOCC1 ZINC000072466633 191174700 /nfs/dbraw/zinc/17/47/00/191174700.db2.gz JXCQMNAXGCHLJF-UHFFFAOYSA-N 1 1 315.337 -0.444 10 0 DBAEMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000407950285 138200444 /nfs/dbraw/zinc/20/04/44/138200444.db2.gz QVMKYNAUOLHOQI-CYBMUJFWSA-N 1 1 305.444 -0.279 10 0 DBAEMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000407950285 138200445 /nfs/dbraw/zinc/20/04/45/138200445.db2.gz QVMKYNAUOLHOQI-CYBMUJFWSA-N 1 1 305.444 -0.279 10 0 DBAEMO CN1CCO[C@H]2C[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC000407951357 138200447 /nfs/dbraw/zinc/20/04/47/138200447.db2.gz WFQLLFAJNKQEBI-RYUDHWBXSA-N 1 1 310.398 -0.278 10 0 DBAEMO CC(=O)N1CC[C@@H](C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000407972885 138200727 /nfs/dbraw/zinc/20/07/27/138200727.db2.gz HRFBNYIDAYENSY-CQSZACIVSA-N 1 1 310.442 -0.003 10 0 DBAEMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)N1CCCCC1 ZINC000408031290 138203468 /nfs/dbraw/zinc/20/34/68/138203468.db2.gz MANGRSXGVJWZGG-KBPBESRZSA-N 1 1 308.426 -0.107 10 0 DBAEMO CCC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408029318 138203731 /nfs/dbraw/zinc/20/37/31/138203731.db2.gz HUWXLLQLNPRCKG-UONOGXRCSA-N 1 1 308.426 -0.107 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H](n2cncn2)C1 ZINC000408031106 138203832 /nfs/dbraw/zinc/20/38/32/138203832.db2.gz KPSJIFUZAXIUCN-KBPBESRZSA-N 1 1 304.398 -0.169 10 0 DBAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408035363 138204202 /nfs/dbraw/zinc/20/42/02/138204202.db2.gz XLMIOZZCVYBUMG-CJNGLKHVSA-N 1 1 306.410 -0.495 10 0 DBAEMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000408043998 138204562 /nfs/dbraw/zinc/20/45/62/138204562.db2.gz LVAUKGBPIHWXHR-TUAOUCFPSA-N 1 1 319.427 -0.754 10 0 DBAEMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000408043998 138204564 /nfs/dbraw/zinc/20/45/64/138204564.db2.gz LVAUKGBPIHWXHR-TUAOUCFPSA-N 1 1 319.427 -0.754 10 0 DBAEMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000408043721 138205031 /nfs/dbraw/zinc/20/50/31/138205031.db2.gz YWNUJRJVMABBSM-WOPDTQHZSA-N 1 1 319.427 -0.754 10 0 DBAEMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000408043721 138205032 /nfs/dbraw/zinc/20/50/32/138205032.db2.gz YWNUJRJVMABBSM-WOPDTQHZSA-N 1 1 319.427 -0.754 10 0 DBAEMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1cnc2c1ncnc2N ZINC000408073435 138205848 /nfs/dbraw/zinc/20/58/48/138205848.db2.gz UASUFBQEQYFCMU-UWVGGRQHSA-N 1 1 303.370 -0.041 10 0 DBAEMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1nnnn1C ZINC000408071302 138206023 /nfs/dbraw/zinc/20/60/23/138206023.db2.gz NDNGYRNIWZODNH-GUBZILKMSA-N 1 1 302.404 -0.279 10 0 DBAEMO Cc1cnn(C)c1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408072751 138206076 /nfs/dbraw/zinc/20/60/76/138206076.db2.gz SIOWGUSYIUANJL-NWDGAFQWSA-N 1 1 314.411 -0.178 10 0 DBAEMO Cc1cnn(C)c1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408072751 138206077 /nfs/dbraw/zinc/20/60/77/138206077.db2.gz SIOWGUSYIUANJL-NWDGAFQWSA-N 1 1 314.411 -0.178 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000408108875 138207179 /nfs/dbraw/zinc/20/71/79/138207179.db2.gz CNGCNJUYWVQQIE-DMDPSCGWSA-N 1 1 315.439 -0.179 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000408108875 138207180 /nfs/dbraw/zinc/20/71/80/138207180.db2.gz CNGCNJUYWVQQIE-DMDPSCGWSA-N 1 1 315.439 -0.179 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000408123866 138207985 /nfs/dbraw/zinc/20/79/85/138207985.db2.gz KLYUEKMSQAVCCX-RAIGVLPGSA-N 1 1 315.439 -0.179 10 0 DBAEMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 ZINC000408144695 138208808 /nfs/dbraw/zinc/20/88/08/138208808.db2.gz MWRMLMQDSKHXAQ-VXGBXAGGSA-N 1 1 308.382 -0.129 10 0 DBAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000408435293 138218820 /nfs/dbraw/zinc/21/88/20/138218820.db2.gz MHOMMJGJVLZYLE-WDEREUQCSA-N 1 1 304.416 -0.457 10 0 DBAEMO NC(=O)C[NH+]1CCC(C(=O)NCc2cn3cccnc3n2)CC1 ZINC000091657293 193086122 /nfs/dbraw/zinc/08/61/22/193086122.db2.gz SRVIXJWBDOPBAA-UHFFFAOYSA-N 1 1 316.365 -0.457 10 0 DBAEMO COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408027751 284257975 /nfs/dbraw/zinc/25/79/75/284257975.db2.gz MKKZWDIUPITQTK-GRYCIOLGSA-N 1 1 320.411 -0.470 10 0 DBAEMO COc1cccc(C[NH+]2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1 ZINC000643585922 374286728 /nfs/dbraw/zinc/28/67/28/374286728.db2.gz CVNOAJYTFQIMIA-ZACQAIPSSA-N 1 1 322.405 -0.067 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247190588 374417743 /nfs/dbraw/zinc/41/77/43/374417743.db2.gz SQUIDLHTLFPUSK-UONOGXRCSA-N 1 1 324.425 -0.883 10 0 DBAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408058788 374694765 /nfs/dbraw/zinc/69/47/65/374694765.db2.gz DRSFCRHFTXRPTA-UTUOFQBUSA-N 1 1 310.398 -0.704 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000408108878 374755288 /nfs/dbraw/zinc/75/52/88/374755288.db2.gz CNGCNJUYWVQQIE-NTZNESFSSA-N 1 1 315.439 -0.179 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000408108878 374755294 /nfs/dbraw/zinc/75/52/94/374755294.db2.gz CNGCNJUYWVQQIE-NTZNESFSSA-N 1 1 315.439 -0.179 10 0 DBAEMO CC(=O)N1CC[C@H](NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000408212282 374789208 /nfs/dbraw/zinc/78/92/08/374789208.db2.gz VNWQTMQCCJSJBV-BZPMIXESSA-N 1 1 312.414 -0.296 10 0 DBAEMO C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000107303930 374918066 /nfs/dbraw/zinc/91/80/66/374918066.db2.gz PZCJVEARSXVJKS-LBPRGKRZSA-N 1 1 313.427 -0.074 10 0 DBAEMO O=C(CN1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1)N1CCCCC1 ZINC000238129402 375054930 /nfs/dbraw/zinc/05/49/30/375054930.db2.gz HMINAQNVBUEAOF-AWEZNQCLSA-N 1 1 324.425 -0.869 10 0 DBAEMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)CC2 ZINC000332836402 375414143 /nfs/dbraw/zinc/41/41/43/375414143.db2.gz KQSPAJUWGDGZAH-OLZOCXBDSA-N 1 1 320.441 -0.093 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCNC(=O)C1 ZINC000332835702 375414723 /nfs/dbraw/zinc/41/47/23/375414723.db2.gz KICCSWSJOUVVDE-UONOGXRCSA-N 1 1 323.441 -0.314 10 0 DBAEMO O=C(Cn1nc2ccccn2c1=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171585982 375474451 /nfs/dbraw/zinc/47/44/51/375474451.db2.gz OPQYDBQOZIBTON-LBPRGKRZSA-N 1 1 301.350 -0.197 10 0 DBAEMO Cc1cnn(CCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000172272798 375479374 /nfs/dbraw/zinc/47/93/74/375479374.db2.gz LUXREXDUKZMTDF-UHFFFAOYSA-N 1 1 322.413 -0.345 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)no1 ZINC000174308144 375492340 /nfs/dbraw/zinc/49/23/40/375492340.db2.gz PZNMFESBQUKNIJ-NXEZZACHSA-N 1 1 310.354 -0.165 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)no1 ZINC000174308144 375492349 /nfs/dbraw/zinc/49/23/49/375492349.db2.gz PZNMFESBQUKNIJ-NXEZZACHSA-N 1 1 310.354 -0.165 10 0 DBAEMO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000178287712 375510741 /nfs/dbraw/zinc/51/07/41/375510741.db2.gz KVNSSOXVOMARJW-CYBMUJFWSA-N 1 1 305.382 -0.386 10 0 DBAEMO O=S(=O)(NCC[N@H+]1C[C@@H](O)C[C@@H]1CO)c1ccccc1 ZINC000179184664 375516486 /nfs/dbraw/zinc/51/64/86/375516486.db2.gz XUEJNEQTOYLCLP-NEPJUHHUSA-N 1 1 300.380 -0.608 10 0 DBAEMO O=S(=O)(NCC[N@@H+]1C[C@@H](O)C[C@@H]1CO)c1ccccc1 ZINC000179184664 375516495 /nfs/dbraw/zinc/51/64/95/375516495.db2.gz XUEJNEQTOYLCLP-NEPJUHHUSA-N 1 1 300.380 -0.608 10 0 DBAEMO COCC(=O)NC1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000185311497 375558390 /nfs/dbraw/zinc/55/83/90/375558390.db2.gz KRWUAVAEYJKLID-LLVKDONJSA-N 1 1 323.397 -0.016 10 0 DBAEMO NC(=O)c1cc2ncnc(N3CC[NH+](CCO)CC3)c2s1 ZINC000224973108 376019961 /nfs/dbraw/zinc/01/99/61/376019961.db2.gz QZBCVVZPCBWJTK-UHFFFAOYSA-N 1 1 307.379 -0.096 10 0 DBAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000111857431 376799951 /nfs/dbraw/zinc/79/99/51/376799951.db2.gz YOKIBSLFHTYYRK-UONOGXRCSA-N 1 1 314.430 -0.273 10 0 DBAEMO CN(CC(=O)NCC[C@H]1CC[NH2+]C1)c1ncnc2[nH]cnc21 ZINC000262573434 377030277 /nfs/dbraw/zinc/03/02/77/377030277.db2.gz GOLPXAGHJLHHSA-SNVBAGLBSA-N 1 1 303.370 -0.095 10 0 DBAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000247487679 377134773 /nfs/dbraw/zinc/13/47/73/377134773.db2.gz TYMWEPSSURSFGP-RYUDHWBXSA-N 1 1 306.366 -0.758 10 0 DBAEMO C[C@H](O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@@H]1C ZINC000367054237 377458910 /nfs/dbraw/zinc/45/89/10/377458910.db2.gz WLIIUMOAAXGWAL-KKUMJFAQSA-N 1 1 310.442 -0.710 10 0 DBAEMO CCN1CCN(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C(=O)C1=O ZINC000113222900 378363385 /nfs/dbraw/zinc/36/33/85/378363385.db2.gz DNWCUWLDSNGPRC-STQMWFEESA-N 1 1 322.409 -0.628 10 0 DBAEMO [NH3+][C@H]1CCN(c2nc[nH]c(=O)c2I)C1 ZINC000166026133 378375183 /nfs/dbraw/zinc/37/51/83/378375183.db2.gz OPQAGJDOLAREDP-YFKPBYRVSA-N 1 1 306.107 -0.088 10 0 DBAEMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cnc4c3ncnc4N)C2)C1 ZINC000329228755 378468173 /nfs/dbraw/zinc/46/81/73/378468173.db2.gz IWANFPWFSAENTQ-OAHLLOKOSA-N 1 1 315.381 -0.037 10 0 DBAEMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000334106796 378571552 /nfs/dbraw/zinc/57/15/52/378571552.db2.gz YPAVWDBBODFPDZ-CHWSQXEVSA-N 1 1 324.425 -0.104 10 0 DBAEMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000334106796 378571564 /nfs/dbraw/zinc/57/15/64/378571564.db2.gz YPAVWDBBODFPDZ-CHWSQXEVSA-N 1 1 324.425 -0.104 10 0 DBAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000312574083 378585624 /nfs/dbraw/zinc/58/56/24/378585624.db2.gz MPDHQJDXRGWYHC-CHWSQXEVSA-N 1 1 305.444 -0.279 10 0 DBAEMO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C[C@H]1CNCCO1 ZINC000312574083 378585627 /nfs/dbraw/zinc/58/56/27/378585627.db2.gz MPDHQJDXRGWYHC-CHWSQXEVSA-N 1 1 305.444 -0.279 10 0 DBAEMO COCCn1cc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 ZINC000628376296 378591165 /nfs/dbraw/zinc/59/11/65/378591165.db2.gz OGZIGLSNCZDHGZ-HUUCEWRRSA-N 1 1 321.381 -0.113 10 0 DBAEMO COCCn1cc(C[N@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 ZINC000628376296 378591170 /nfs/dbraw/zinc/59/11/70/378591170.db2.gz OGZIGLSNCZDHGZ-HUUCEWRRSA-N 1 1 321.381 -0.113 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000113267552 378639751 /nfs/dbraw/zinc/63/97/51/378639751.db2.gz DIMJAFZYJHMCPB-HZSPNIEDSA-N 1 1 308.426 -0.121 10 0 DBAEMO CC[C@H]1CN(CC(=O)N2CCN(C)CC2)CC[N@H+]1CCOC ZINC000121000483 379630117 /nfs/dbraw/zinc/63/01/17/379630117.db2.gz ONXIBTVCIFPGRQ-HNNXBMFYSA-N 1 1 312.458 -0.197 10 0 DBAEMO CN1CCN(CCC[N@H+](C)C[C@@H](O)CN2CCCC2=O)CC1 ZINC000119130476 379607317 /nfs/dbraw/zinc/60/73/17/379607317.db2.gz GSDODBSEBDULKK-OAHLLOKOSA-N 1 1 312.458 -0.461 10 0 DBAEMO CN1CCN(CCC[N@@H+](C)C[C@@H](O)CN2CCCC2=O)CC1 ZINC000119130476 379607329 /nfs/dbraw/zinc/60/73/29/379607329.db2.gz GSDODBSEBDULKK-OAHLLOKOSA-N 1 1 312.458 -0.461 10 0 DBAEMO CN1CCN(C(=O)CCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171900760 379694762 /nfs/dbraw/zinc/69/47/62/379694762.db2.gz YGFGENSQPKRDRZ-CQSZACIVSA-N 1 1 323.441 -0.360 10 0 DBAEMO CC(C)c1nnnn1CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000174342238 379712772 /nfs/dbraw/zinc/71/27/72/379712772.db2.gz WEQZGVPBOXEDRA-OLZOCXBDSA-N 1 1 322.413 -0.024 10 0 DBAEMO NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCC[N@H+](C3CC3)CC2)O1 ZINC000177613372 379724388 /nfs/dbraw/zinc/72/43/88/379724388.db2.gz PHCQZUCMINCXFY-CHWSQXEVSA-N 1 1 310.398 -0.101 10 0 DBAEMO CCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177241038 379725977 /nfs/dbraw/zinc/72/59/77/379725977.db2.gz IYOPNPKXZQWVFP-QWHCGFSZSA-N 1 1 312.414 -0.125 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000175001956 379711632 /nfs/dbraw/zinc/71/16/32/379711632.db2.gz ILORIBNAQQMQED-GHMZBOCLSA-N 1 1 306.370 -0.538 10 0 DBAEMO CCN(CC)S(=O)(=O)CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000174663705 379711930 /nfs/dbraw/zinc/71/19/30/379711930.db2.gz VTTDMVKSFMCXDC-LBPRGKRZSA-N 1 1 303.428 -0.035 10 0 DBAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(Cc2ccco2)CC1 ZINC000185167315 379758074 /nfs/dbraw/zinc/75/80/74/379758074.db2.gz WFMCWFIONAQGOS-KGLIPLIRSA-N 1 1 323.393 -0.649 10 0 DBAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(Cc2ccco2)CC1 ZINC000185167315 379758081 /nfs/dbraw/zinc/75/80/81/379758081.db2.gz WFMCWFIONAQGOS-KGLIPLIRSA-N 1 1 323.393 -0.649 10 0 DBAEMO COCC[N@H+](C)CCNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000185924054 379762738 /nfs/dbraw/zinc/76/27/38/379762738.db2.gz UUQWWSCKXGTBKX-ZIAGYGMSSA-N 1 1 316.446 -0.339 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000185924054 379762742 /nfs/dbraw/zinc/76/27/42/379762742.db2.gz UUQWWSCKXGTBKX-ZIAGYGMSSA-N 1 1 316.446 -0.339 10 0 DBAEMO CCN(C)C(=O)CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000186209627 379764310 /nfs/dbraw/zinc/76/43/10/379764310.db2.gz ZSDZPPHXDIJCOP-OLZOCXBDSA-N 1 1 312.414 -0.173 10 0 DBAEMO CC[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CCN1C[C@@H](C)O ZINC000188761993 379776403 /nfs/dbraw/zinc/77/64/03/379776403.db2.gz QBGXPPIDUFJPRN-VXGBXAGGSA-N 1 1 321.425 -0.027 10 0 DBAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)NCC(=O)N(C)C)CC2)CCO1 ZINC000193625947 379926578 /nfs/dbraw/zinc/92/65/78/379926578.db2.gz OYZLJMZISKCFAF-GFCCVEGCSA-N 1 1 312.414 -0.031 10 0 DBAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000117372909 379882711 /nfs/dbraw/zinc/88/27/11/379882711.db2.gz GRJSYLCJGVKTNQ-ZDUSSCGKSA-N 1 1 305.444 -0.327 10 0 DBAEMO CCOC(=O)N1CCN(C(=O)CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000193604830 379927891 /nfs/dbraw/zinc/92/78/91/379927891.db2.gz VHBZRILECLXFPL-OKILXGFUSA-N 1 1 324.425 -0.220 10 0 DBAEMO O=S(=O)(c1cncc(F)c1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404159310 379903848 /nfs/dbraw/zinc/90/38/48/379903848.db2.gz PVMKNXLVTVOQSC-NEPJUHHUSA-N 1 1 301.343 -0.028 10 0 DBAEMO Cn1nccc1C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000195502773 379932274 /nfs/dbraw/zinc/93/22/74/379932274.db2.gz KVYXEOWQQHRNBG-UHFFFAOYSA-N 1 1 305.382 -0.442 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(=O)N1CCOCC1 ZINC000245626970 379939382 /nfs/dbraw/zinc/93/93/82/379939382.db2.gz RSXBSZIWNKNKLU-OLZOCXBDSA-N 1 1 310.398 -0.277 10 0 DBAEMO CC[C@@H]1CN(CCNS(=O)(=O)CC)CC[N@H+]1C[C@H](C)O ZINC000246055744 380070960 /nfs/dbraw/zinc/07/09/60/380070960.db2.gz XGPWLJFAGRMQNS-QWHCGFSZSA-N 1 1 307.460 -0.297 10 0 DBAEMO O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)NCC(=O)N1CCCC1 ZINC000246156764 380078376 /nfs/dbraw/zinc/07/83/76/380078376.db2.gz HACCQPQYIQAGAU-CQSZACIVSA-N 1 1 308.426 -0.105 10 0 DBAEMO C[N@H+]1CCCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000074041031 380095590 /nfs/dbraw/zinc/09/55/90/380095590.db2.gz BHCMBGIXGIRJMX-GFCCVEGCSA-N 1 1 303.428 -0.178 10 0 DBAEMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NN2CCOCC2)CC1=O ZINC000246658258 380099004 /nfs/dbraw/zinc/09/90/04/380099004.db2.gz DCVPTMYLIMQJMI-KBPBESRZSA-N 1 1 324.425 -0.317 10 0 DBAEMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247542866 380104933 /nfs/dbraw/zinc/10/49/33/380104933.db2.gz YONHBIFFFUVWOU-IJLUTSLNSA-N 1 1 306.428 -0.277 10 0 DBAEMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000247542866 380104943 /nfs/dbraw/zinc/10/49/43/380104943.db2.gz YONHBIFFFUVWOU-IJLUTSLNSA-N 1 1 306.428 -0.277 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000249168404 380114964 /nfs/dbraw/zinc/11/49/64/380114964.db2.gz KRQRHDNDRLYOKJ-QWRGUYRKSA-N 1 1 304.416 -0.586 10 0 DBAEMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@H](O)C2)CC1=O ZINC000085378846 380399434 /nfs/dbraw/zinc/39/94/34/380399434.db2.gz ORCXFEXTZFYDDW-RDBSUJKOSA-N 1 1 309.410 -0.088 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)CNC(=O)NC)C[C@H]1CC ZINC000134348812 381477546 /nfs/dbraw/zinc/47/75/46/381477546.db2.gz CYJBGQYYFHNLGU-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO CCOCCNC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247051571 381595933 /nfs/dbraw/zinc/59/59/33/381595933.db2.gz VIWDEKKAHHGVDN-UONOGXRCSA-N 1 1 301.431 -0.084 10 0 DBAEMO COCC[N@H+](C)CCNS(=O)(=O)c1cnc(Cl)nc1 ZINC000061380333 184170400 /nfs/dbraw/zinc/17/04/00/184170400.db2.gz FPOSSMIIUJWZCO-UHFFFAOYSA-N 1 1 308.791 -0.014 10 0 DBAEMO COCC[N@@H+](C)CCNS(=O)(=O)c1cnc(Cl)nc1 ZINC000061380333 184170403 /nfs/dbraw/zinc/17/04/03/184170403.db2.gz FPOSSMIIUJWZCO-UHFFFAOYSA-N 1 1 308.791 -0.014 10 0 DBAEMO COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H](NC(C)=O)C2)nn1 ZINC000156204498 381701641 /nfs/dbraw/zinc/70/16/41/381701641.db2.gz FKIZZNNGANOIRH-GFCCVEGCSA-N 1 1 309.370 -0.406 10 0 DBAEMO CC[C@H](O)CN1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000174083455 381911411 /nfs/dbraw/zinc/91/14/11/381911411.db2.gz OYNIMMXWYXNNPM-XHSDSOJGSA-N 1 1 316.442 -0.069 10 0 DBAEMO CCCOCCCCCC[N@H+]1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1CO ZINC000065748309 184378488 /nfs/dbraw/zinc/37/84/88/184378488.db2.gz OLYHECNPMKMYII-GBJTYRQASA-N 1 1 305.415 -0.267 10 0 in-vitro DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000184861940 382104672 /nfs/dbraw/zinc/10/46/72/382104672.db2.gz VLHMQFUVYMREPR-NWDGAFQWSA-N 1 1 300.403 -0.439 10 0 DBAEMO C[N@@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)c1 ZINC000077311644 382494583 /nfs/dbraw/zinc/49/45/83/382494583.db2.gz IBRSYETXOXCCLW-DDHJSBNISA-O 1 1 321.353 -0.040 10 0 in-vitro DBAEMO C[N@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)c1 ZINC000077311644 382494585 /nfs/dbraw/zinc/49/45/85/382494585.db2.gz IBRSYETXOXCCLW-DDHJSBNISA-O 1 1 321.353 -0.040 10 0 in-vitro DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000131580639 382627720 /nfs/dbraw/zinc/62/77/20/382627720.db2.gz VAQZMQMZVKTRHM-HUUCEWRRSA-N 1 1 311.426 -0.376 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000171195922 382648387 /nfs/dbraw/zinc/64/83/87/382648387.db2.gz NZEIUYLAVJDNRE-ZDUSSCGKSA-N 1 1 302.419 -0.416 10 0 DBAEMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245463666 382684663 /nfs/dbraw/zinc/68/46/63/382684663.db2.gz OXCFIJMROBTOEI-QWHCGFSZSA-N 1 1 305.382 -0.108 10 0 DBAEMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245463666 382684665 /nfs/dbraw/zinc/68/46/65/382684665.db2.gz OXCFIJMROBTOEI-QWHCGFSZSA-N 1 1 305.382 -0.108 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n(C)n1 ZINC000177606139 391936330 /nfs/dbraw/zinc/93/63/30/391936330.db2.gz PDMHLHJXASMTCY-VXGBXAGGSA-N 1 1 323.397 -0.419 10 0 DBAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n(C)n1 ZINC000177606139 391936335 /nfs/dbraw/zinc/93/63/35/391936335.db2.gz PDMHLHJXASMTCY-VXGBXAGGSA-N 1 1 323.397 -0.419 10 0 DBAEMO CC(=O)NC1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000189782939 391957014 /nfs/dbraw/zinc/95/70/14/391957014.db2.gz ORYVVCLXCKJXNP-UHFFFAOYSA-N 1 1 311.430 -0.458 10 0 DBAEMO C[C@@H]1C[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H]1C(N)=O ZINC000286295966 392361271 /nfs/dbraw/zinc/36/12/71/392361271.db2.gz UFMQNPPQTMRDTE-RTXFEEFZSA-N 1 1 305.382 -0.031 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@@H]1C ZINC000247358969 392474778 /nfs/dbraw/zinc/47/47/78/392474778.db2.gz MEYCHJKBELLKAM-STQMWFEESA-N 1 1 322.413 -0.045 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@@H]1C ZINC000247358969 392474784 /nfs/dbraw/zinc/47/47/84/392474784.db2.gz MEYCHJKBELLKAM-STQMWFEESA-N 1 1 322.413 -0.045 10 0 DBAEMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000154922962 392542504 /nfs/dbraw/zinc/54/25/04/392542504.db2.gz ZRMWTMQPTRHCHF-LBPRGKRZSA-N 1 1 306.366 -0.283 10 0 DBAEMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000154922962 392542514 /nfs/dbraw/zinc/54/25/14/392542514.db2.gz ZRMWTMQPTRHCHF-LBPRGKRZSA-N 1 1 306.366 -0.283 10 0 DBAEMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC(NC(=O)COC)C2)C1 ZINC000188492317 392825494 /nfs/dbraw/zinc/82/54/94/392825494.db2.gz VQRDTSCTPUJYTK-LBPRGKRZSA-N 1 1 312.414 -0.125 10 0 DBAEMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](C(N)=O)O1 ZINC000408276773 392834562 /nfs/dbraw/zinc/83/45/62/392834562.db2.gz KXOBGHYQAWBDGA-FDYHWXHSSA-N 1 1 310.398 -0.103 10 0 DBAEMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408473035 392899557 /nfs/dbraw/zinc/89/95/57/392899557.db2.gz YIFOHKSCLFANSN-UONOGXRCSA-N 1 1 310.442 -0.018 10 0 DBAEMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000040854908 132144411 /nfs/dbraw/zinc/14/44/11/132144411.db2.gz KBXHIQKEGBGQPG-SECBINFHSA-N 1 1 310.379 -0.765 10 0 DBAEMO C[NH+]1CCN(C(=O)CN2CCN(Cc3ccon3)CC2)CC1 ZINC000121147368 132152567 /nfs/dbraw/zinc/15/25/67/132152567.db2.gz ZSXGQXZLZORQJQ-UHFFFAOYSA-N 1 1 307.398 -0.434 10 0 DBAEMO Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000285354565 392955350 /nfs/dbraw/zinc/95/53/50/392955350.db2.gz NAWLMHSYFXCMHC-SCDSUCTJSA-N 1 1 305.382 -0.050 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000187677857 392973654 /nfs/dbraw/zinc/97/36/54/392973654.db2.gz QMCHFRACISLZOH-GFCCVEGCSA-N 1 1 320.459 -0.045 10 0 DBAEMO CS(=O)(=O)N1CC(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000188160389 393002709 /nfs/dbraw/zinc/00/27/09/393002709.db2.gz AEBJLFMFSAJQGE-LBPRGKRZSA-N 1 1 316.427 -0.633 10 0 DBAEMO C[N@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)C1(C(N)=O)CCCC1 ZINC000093213026 393063289 /nfs/dbraw/zinc/06/32/89/393063289.db2.gz TZEPGPNELRLEOE-NSHDSACASA-N 1 1 310.398 -0.560 10 0 DBAEMO C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)C1(C(N)=O)CCCC1 ZINC000093213026 393063296 /nfs/dbraw/zinc/06/32/96/393063296.db2.gz TZEPGPNELRLEOE-NSHDSACASA-N 1 1 310.398 -0.560 10 0 DBAEMO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352020374 393341753 /nfs/dbraw/zinc/34/17/53/393341753.db2.gz HVKRGSRDHHJCPI-GRYCIOLGSA-N 1 1 320.345 -0.929 10 0 DBAEMO COCC[N@@H+](C)CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173821841 393479948 /nfs/dbraw/zinc/47/99/48/393479948.db2.gz XMOMVNHUTFQXIG-CQSZACIVSA-N 1 1 314.430 -0.319 10 0 DBAEMO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@H]1[NH+]1CCOCC1 ZINC000175804769 393484147 /nfs/dbraw/zinc/48/41/47/393484147.db2.gz ITRBECALLRCPCM-JHJVBQTASA-N 1 1 310.398 -0.421 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248666497 393408909 /nfs/dbraw/zinc/40/89/09/393408909.db2.gz NEYHMNRQEWQZFP-IJLUTSLNSA-N 1 1 303.428 -0.039 10 0 DBAEMO Cn1ccnc1C[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000123633275 393504170 /nfs/dbraw/zinc/50/41/70/393504170.db2.gz LXTUIRWNRFLYKC-CYBMUJFWSA-N 1 1 319.409 -0.367 10 0 DBAEMO C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C(=O)N(C)C ZINC000248613720 393594143 /nfs/dbraw/zinc/59/41/43/393594143.db2.gz LLQRLYVKWJVNCP-GRYCIOLGSA-N 1 1 300.403 -0.440 10 0 DBAEMO CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CCO1 ZINC000248441679 393594182 /nfs/dbraw/zinc/59/41/82/393594182.db2.gz KIGXGFQPCNMOAZ-UPJWGTAASA-N 1 1 312.414 -0.129 10 0 DBAEMO O=C1CCCN1C[C@@H](O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000111686472 544419011 /nfs/dbraw/zinc/41/90/11/544419011.db2.gz OEUUGWWHGOGJMM-ZDUSSCGKSA-N 1 1 305.382 -0.418 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)[N@H+](C)C1 ZINC000328967873 544457068 /nfs/dbraw/zinc/45/70/68/544457068.db2.gz TYOXXXGKVRPKEH-AVGNSLFASA-N 1 1 323.397 -0.088 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)[N@@H+](C)C1 ZINC000328967873 544457069 /nfs/dbraw/zinc/45/70/69/544457069.db2.gz TYOXXXGKVRPKEH-AVGNSLFASA-N 1 1 323.397 -0.088 10 0 DBAEMO Cn1ccnc1[C@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CCN1C ZINC000329916631 544493970 /nfs/dbraw/zinc/49/39/70/544493970.db2.gz QIGPFWVJFIQYHM-ZIAGYGMSSA-N 1 1 321.425 -0.308 10 0 DBAEMO Cn1ccnc1[C@H]1C[N@@H+](C[C@@H](O)CN2CCCC2=O)CCN1C ZINC000329916631 544493975 /nfs/dbraw/zinc/49/39/75/544493975.db2.gz QIGPFWVJFIQYHM-ZIAGYGMSSA-N 1 1 321.425 -0.308 10 0 DBAEMO CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[N@H+]1C[C@@H](C)O ZINC000329220282 544477801 /nfs/dbraw/zinc/47/78/01/544477801.db2.gz SXUWFQNJQOTKND-GHMZBOCLSA-N 1 1 312.370 -0.318 10 0 DBAEMO C[C@H]1CN(C(=O)Cn2cccnc2=O)C[C@@H]1[NH+]1CCOCC1 ZINC000329754733 544488024 /nfs/dbraw/zinc/48/80/24/544488024.db2.gz XNYGPNPCQWSLSR-STQMWFEESA-N 1 1 306.366 -0.578 10 0 DBAEMO C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000332825775 544547896 /nfs/dbraw/zinc/54/78/96/544547896.db2.gz UYXGCGSGMSBSJQ-UONOGXRCSA-N 1 1 313.446 -0.748 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)[N@H+](C)C1 ZINC000328977701 544555147 /nfs/dbraw/zinc/55/51/47/544555147.db2.gz WSQUIPNENVFQMZ-YDHLFZDLSA-N 1 1 323.397 -0.649 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)[N@@H+](C)C1 ZINC000328977701 544555150 /nfs/dbraw/zinc/55/51/50/544555150.db2.gz WSQUIPNENVFQMZ-YDHLFZDLSA-N 1 1 323.397 -0.649 10 0 DBAEMO CC[C@H]1CN(C(=O)Cc2cnnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000669317916 544551143 /nfs/dbraw/zinc/55/11/43/544551143.db2.gz AOKIDOMCPLKBPA-GXTWGEPZSA-N 1 1 307.398 -0.073 10 0 DBAEMO COCCC[N@@H+](C)CCNC(=O)N1CCCN(C)C(=O)C1 ZINC000188188102 277205008 /nfs/dbraw/zinc/20/50/08/277205008.db2.gz IGOJHSGDMRYSNK-UHFFFAOYSA-N 1 1 300.403 -0.172 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329233973 279113409 /nfs/dbraw/zinc/11/34/09/279113409.db2.gz MKKOSVSLOZGNEY-UHIISALHSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329233973 279113411 /nfs/dbraw/zinc/11/34/11/279113411.db2.gz MKKOSVSLOZGNEY-UHIISALHSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329233973 279113413 /nfs/dbraw/zinc/11/34/13/279113413.db2.gz MKKOSVSLOZGNEY-UHIISALHSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329233973 279113415 /nfs/dbraw/zinc/11/34/15/279113415.db2.gz MKKOSVSLOZGNEY-UHIISALHSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329233973 279113417 /nfs/dbraw/zinc/11/34/17/279113417.db2.gz MKKOSVSLOZGNEY-UHIISALHSA-N 1 1 307.398 -0.177 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CSCN2C(C)=O)CC1 ZINC000408099686 280206433 /nfs/dbraw/zinc/20/64/33/280206433.db2.gz XWIUDTMGVBNHGW-CHWSQXEVSA-N 1 1 315.439 -0.177 10 0 DBAEMO CC[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CCN1C[C@@H](C)O ZINC000188762017 281145133 /nfs/dbraw/zinc/14/51/33/281145133.db2.gz QBGXPPIDUFJPRN-NEPJUHHUSA-N 1 1 321.425 -0.027 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNS(C)(=O)=O ZINC000246454152 281197447 /nfs/dbraw/zinc/19/74/47/281197447.db2.gz USFFQRRZKMMJGO-RYUDHWBXSA-N 1 1 318.443 -0.196 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)NC ZINC000408455607 288315720 /nfs/dbraw/zinc/31/57/20/288315720.db2.gz YYSVZRSHSJCLNT-QWRGUYRKSA-N 1 1 304.416 -0.875 10 0 DBAEMO C[C@H](CNC(=O)[C@H](N)CCS(C)(=O)=O)C[NH+]1CCCCC1 ZINC000038042263 289680800 /nfs/dbraw/zinc/68/08/00/289680800.db2.gz FEQMAWOHKXOCRP-CHWSQXEVSA-N 1 1 319.471 -0.013 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)[C@H](C)C1 ZINC000330174836 290106992 /nfs/dbraw/zinc/10/69/92/290106992.db2.gz IOBXYZJTPRRDNN-GZBLMMOJSA-N 1 1 312.410 -0.049 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)[C@H](C)C1 ZINC000330174836 290106995 /nfs/dbraw/zinc/10/69/95/290106995.db2.gz IOBXYZJTPRRDNN-GZBLMMOJSA-N 1 1 312.410 -0.049 10 0 DBAEMO C[C@@](O)(CNC(=O)[C@H]1CCCCC(=O)N1)C[NH+]1CCOCC1 ZINC000333282659 297851950 /nfs/dbraw/zinc/85/19/50/297851950.db2.gz JVRAIAACMUGCDN-IUODEOHRSA-N 1 1 313.398 -0.755 10 0 DBAEMO C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)N1CCOCC1 ZINC000261629846 298055018 /nfs/dbraw/zinc/05/50/18/298055018.db2.gz AVQMXLJUMKHJLJ-OLZOCXBDSA-N 1 1 307.398 -0.386 10 0 DBAEMO C[C@@H]1C(=O)NCCCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000189084312 333063023 /nfs/dbraw/zinc/06/30/23/333063023.db2.gz IYSRHIMQQGTAMR-CYBMUJFWSA-N 1 1 318.425 -0.061 10 0 DBAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(CC(=O)N(C)C)CC2)C1 ZINC000105845587 519684172 /nfs/dbraw/zinc/68/41/72/519684172.db2.gz NPHJJLBTNNEOMQ-HNNXBMFYSA-N 1 1 312.458 -0.199 10 0 DBAEMO CN(C[C@H]1C[N@@H+](CC2(O)CCC2)CCO1)c1nccn(C)c1=O ZINC000333070417 523145814 /nfs/dbraw/zinc/14/58/14/523145814.db2.gz UXCDXUHLWPJPQQ-ZDUSSCGKSA-N 1 1 322.409 -0.168 10 0 DBAEMO COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000132541707 523392930 /nfs/dbraw/zinc/39/29/30/523392930.db2.gz QXRZLLFYCBJGGB-GFCCVEGCSA-N 1 1 309.370 -0.454 10 0 DBAEMO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000368909999 523796305 /nfs/dbraw/zinc/79/63/05/523796305.db2.gz MNELUXIGATYJCC-JHJVBQTASA-N 1 1 323.393 -0.440 10 0 DBAEMO C[C@H]1CNCCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333667155 524691198 /nfs/dbraw/zinc/69/11/98/524691198.db2.gz MLLZXVURZAKXFA-QWRGUYRKSA-N 1 1 323.363 -0.174 10 0 DBAEMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000329596204 525702808 /nfs/dbraw/zinc/70/28/08/525702808.db2.gz VQSQKSUXCPNCBL-VXGBXAGGSA-N 1 1 322.365 -0.730 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@@H]1C ZINC000182785456 525792249 /nfs/dbraw/zinc/79/22/49/525792249.db2.gz XTJWIDBEZHWIDS-WDEREUQCSA-N 1 1 318.381 -0.110 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cnc3c(c2)nnn3C)C[C@@H]1C ZINC000182785456 525792258 /nfs/dbraw/zinc/79/22/58/525792258.db2.gz XTJWIDBEZHWIDS-WDEREUQCSA-N 1 1 318.381 -0.110 10 0 DBAEMO O=C(CCNC(=O)N1CC[NH+](C2CC2)CC1)N1CCOCC1 ZINC000105103576 526499147 /nfs/dbraw/zinc/49/91/47/526499147.db2.gz HHHYESITQGSAMG-UHFFFAOYSA-N 1 1 310.398 -0.275 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000247019081 526963019 /nfs/dbraw/zinc/96/30/19/526963019.db2.gz CPUPHXRNYKAWRG-CHWSQXEVSA-N 1 1 320.397 -0.361 10 0 DBAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)C1 ZINC000247019081 526963023 /nfs/dbraw/zinc/96/30/23/526963023.db2.gz CPUPHXRNYKAWRG-CHWSQXEVSA-N 1 1 320.397 -0.361 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000246748153 526977916 /nfs/dbraw/zinc/97/79/16/526977916.db2.gz PXBANVKGNNYNLL-UONOGXRCSA-N 1 1 307.398 -0.027 10 0 DBAEMO Cc1nc2ccc(N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)nn2n1 ZINC000333907256 527139492 /nfs/dbraw/zinc/13/94/92/527139492.db2.gz KGCTXRQODNPGDV-GFCCVEGCSA-N 1 1 315.381 -0.167 10 0 DBAEMO Cn1cc([C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)cn1 ZINC000127873491 527311510 /nfs/dbraw/zinc/31/15/10/527311510.db2.gz QVQJHXVUDJXRKR-UKRRQHHQSA-N 1 1 308.382 -0.175 10 0 DBAEMO Cn1cc([C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)cn1 ZINC000127873491 527311520 /nfs/dbraw/zinc/31/15/20/527311520.db2.gz QVQJHXVUDJXRKR-UKRRQHHQSA-N 1 1 308.382 -0.175 10 0 DBAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3nnn(C)n3)CC2)C1 ZINC000193350867 529056531 /nfs/dbraw/zinc/05/65/31/529056531.db2.gz PPNQFFGGLMLCNL-CQSZACIVSA-N 1 1 323.445 -0.563 10 0 DBAEMO CC(C)[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N1CCOCC1 ZINC000408411706 535219703 /nfs/dbraw/zinc/21/97/03/535219703.db2.gz JZCGHBRZJQIXLE-QWHCGFSZSA-N 1 1 313.398 -0.683 10 0 DBAEMO CC(C)[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N1CCOCC1 ZINC000408411706 535219718 /nfs/dbraw/zinc/21/97/18/535219718.db2.gz JZCGHBRZJQIXLE-QWHCGFSZSA-N 1 1 313.398 -0.683 10 0 DBAEMO CC[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000408430759 535867815 /nfs/dbraw/zinc/86/78/15/535867815.db2.gz XYVVIPKFJAQZMP-CHWSQXEVSA-N 1 1 321.443 -0.660 10 0 DBAEMO CC[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000408430759 535867820 /nfs/dbraw/zinc/86/78/20/535867820.db2.gz XYVVIPKFJAQZMP-CHWSQXEVSA-N 1 1 321.443 -0.660 10 0 DBAEMO CCn1nccc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408026785 535888396 /nfs/dbraw/zinc/88/83/96/535888396.db2.gz GVRZTICQYDUTOH-NWDGAFQWSA-N 1 1 314.411 -0.003 10 0 DBAEMO CCn1nccc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408026785 535888400 /nfs/dbraw/zinc/88/84/00/535888400.db2.gz GVRZTICQYDUTOH-NWDGAFQWSA-N 1 1 314.411 -0.003 10 0 DBAEMO CC[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000408430760 536156831 /nfs/dbraw/zinc/15/68/31/536156831.db2.gz XYVVIPKFJAQZMP-OLZOCXBDSA-N 1 1 321.443 -0.660 10 0 DBAEMO CC[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000408430760 536156835 /nfs/dbraw/zinc/15/68/35/536156835.db2.gz XYVVIPKFJAQZMP-OLZOCXBDSA-N 1 1 321.443 -0.660 10 0 DBAEMO CN1CCO[C@@H]2C[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC000368012733 536436952 /nfs/dbraw/zinc/43/69/52/536436952.db2.gz WFQLLFAJNKQEBI-NWDGAFQWSA-N 1 1 310.398 -0.278 10 0 DBAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(N)=O)nc3)[C@H]2C1 ZINC000408044298 536479490 /nfs/dbraw/zinc/47/94/90/536479490.db2.gz UGGHOLQEHGLKEX-QWHCGFSZSA-N 1 1 304.350 -0.274 10 0 DBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000177220188 664899140 /nfs/dbraw/zinc/89/91/40/664899140.db2.gz SGTLJEGYMWMZLO-KFWWJZLASA-N 1 1 311.426 -0.114 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCC([C@@H](F)C(N)=O)CC2)[N@@H+](C)C1 ZINC000913108281 674790598 /nfs/dbraw/zinc/79/05/98/674790598.db2.gz WWWNRLSVRYPOCK-SDDRHHMPSA-N 1 1 301.362 -0.233 10 0 DBAEMO Cc1nc2c(c(NCC(=O)N3CCOCC3)[nH+]1)NC(=O)[C@H](C)N2 ZINC000224020345 674824549 /nfs/dbraw/zinc/82/45/49/674824549.db2.gz MDDIYXDAWYLSGW-QMMMGPOBSA-N 1 1 320.353 -0.192 10 0 DBAEMO Cc1nc(NCC(=O)N2CCOCC2)c2c([nH+]1)N[C@@H](C)C(=O)N2 ZINC000224020345 674824550 /nfs/dbraw/zinc/82/45/50/674824550.db2.gz MDDIYXDAWYLSGW-QMMMGPOBSA-N 1 1 320.353 -0.192 10 0 DBAEMO COC[C@H]([NH3+])C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000262332849 671433310 /nfs/dbraw/zinc/43/33/10/671433310.db2.gz RVHZGHBEZOPJLM-LBPRGKRZSA-N 1 1 300.380 -0.309 10 0 DBAEMO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000408209778 282124102 /nfs/dbraw/zinc/12/41/02/282124102.db2.gz DVPBSQKSRPJDBD-VXGBXAGGSA-N 1 1 319.427 -0.464 10 0 DBAEMO C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000408209777 282137826 /nfs/dbraw/zinc/13/78/26/282137826.db2.gz DVPBSQKSRPJDBD-RYUDHWBXSA-N 1 1 319.427 -0.464 10 0 DBAEMO Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)n1 ZINC000286203772 138097401 /nfs/dbraw/zinc/09/74/01/138097401.db2.gz OBPCKZFLNNQOQC-NHYWBVRUSA-N 1 1 321.381 -0.772 10 0 DBAEMO Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)n1 ZINC000286203772 138097402 /nfs/dbraw/zinc/09/74/02/138097402.db2.gz OBPCKZFLNNQOQC-NHYWBVRUSA-N 1 1 321.381 -0.772 10 0 DBAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000376121091 138185490 /nfs/dbraw/zinc/18/54/90/138185490.db2.gz YNYCCOSUVRFVPM-GRYCIOLGSA-N 1 1 303.428 -0.181 10 0 DBAEMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H](n2cncn2)C1 ZINC000408031111 138203792 /nfs/dbraw/zinc/20/37/92/138203792.db2.gz KPSJIFUZAXIUCN-KGLIPLIRSA-N 1 1 304.398 -0.169 10 0 DBAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1C(N)=O ZINC000408047565 138204685 /nfs/dbraw/zinc/20/46/85/138204685.db2.gz HHUHQAQPMUAELV-DGCLKSJQSA-N 1 1 322.409 -0.880 10 0 DBAEMO C[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000408113212 138207849 /nfs/dbraw/zinc/20/78/49/138207849.db2.gz QXIAGEZVHBQFOQ-ZUZCIYMTSA-N 1 1 308.382 -0.131 10 0 DBAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000408113212 138207850 /nfs/dbraw/zinc/20/78/50/138207850.db2.gz QXIAGEZVHBQFOQ-ZUZCIYMTSA-N 1 1 308.382 -0.131 10 0 DBAEMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000408111906 138207934 /nfs/dbraw/zinc/20/79/34/138207934.db2.gz IQSGXZXFXNKIQI-CQSZACIVSA-N 1 1 318.425 -0.239 10 0 DBAEMO C[C@H]1C[C@@H](C(=O)N2CCN(c3[nH+]ccn3C)CC2)CC(=O)N1 ZINC000408203128 138210853 /nfs/dbraw/zinc/21/08/53/138210853.db2.gz PFVIFPHCMFFAIQ-NWDGAFQWSA-N 1 1 305.382 -0.017 10 0 DBAEMO CN(C)c1nc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc[nH+]1 ZINC000408209779 138211085 /nfs/dbraw/zinc/21/10/85/138211085.db2.gz DVUXUTISDBEDBH-NSHDSACASA-N 1 1 318.381 -0.530 10 0 DBAEMO CN(C)C(=O)CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000408269649 138213583 /nfs/dbraw/zinc/21/35/83/138213583.db2.gz KZWJALBRFDFSBL-LBPRGKRZSA-N 1 1 310.398 -0.770 10 0 DBAEMO C[N@H+]1CCN(CCNC(=O)N2CCO[C@H](CO)C2)CC1(C)C ZINC000408429842 138218787 /nfs/dbraw/zinc/21/87/87/138218787.db2.gz ZUYQUBXXBREWKR-ZDUSSCGKSA-N 1 1 314.430 -0.585 10 0 DBAEMO NC(=O)C[NH+]1CCC(C(=O)N2CCc3nc(N)sc3C2)CC1 ZINC000091873363 193121268 /nfs/dbraw/zinc/12/12/68/193121268.db2.gz JQQWQZPXAOBFSI-UHFFFAOYSA-N 1 1 323.422 -0.193 10 0 DBAEMO C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000019795919 182150976 /nfs/dbraw/zinc/15/09/76/182150976.db2.gz XRIGYJJPCOSAMN-QWRGUYRKSA-N 1 1 307.368 -0.016 10 0 DBAEMO Cc1ccsc1C[N@@H+]1CCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]2C1 ZINC000014742639 374366504 /nfs/dbraw/zinc/36/65/04/374366504.db2.gz LIAXRUJVRYXKMR-WZRBSPASSA-N 1 1 323.418 -0.051 10 0 DBAEMO Cc1ccsc1C[N@H+]1CCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]2C1 ZINC000014742639 374366512 /nfs/dbraw/zinc/36/65/12/374366512.db2.gz LIAXRUJVRYXKMR-WZRBSPASSA-N 1 1 323.418 -0.051 10 0 DBAEMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1=NNC(=O)CC1 ZINC000079726801 374504509 /nfs/dbraw/zinc/50/45/09/374504509.db2.gz OXEVIMGCGSDKNH-UHFFFAOYSA-N 1 1 309.414 -0.263 10 0 DBAEMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1=NNC(=O)CC1 ZINC000079726801 374504517 /nfs/dbraw/zinc/50/45/17/374504517.db2.gz OXEVIMGCGSDKNH-UHFFFAOYSA-N 1 1 309.414 -0.263 10 0 DBAEMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000088769536 374624450 /nfs/dbraw/zinc/62/44/50/374624450.db2.gz UKQCBLFXMUFEBC-LLVKDONJSA-N 1 1 305.400 -0.494 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)[N@@H+](C)C1 ZINC000408031394 374691246 /nfs/dbraw/zinc/69/12/46/374691246.db2.gz MUKLNSOUFFWPEE-RYUDHWBXSA-N 1 1 319.427 -0.801 10 0 DBAEMO NC(=O)C[NH+]1CCC(C(=O)NCC2=CSC3=NCCN23)CC1 ZINC000102257825 374892536 /nfs/dbraw/zinc/89/25/36/374892536.db2.gz PTDLNYCADMCZSU-UHFFFAOYSA-N 1 1 323.422 -0.440 10 0 DBAEMO CNC(=O)NC(=O)CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105869012 374910303 /nfs/dbraw/zinc/91/03/03/374910303.db2.gz GOAGRTHWNDJAOO-UHFFFAOYSA-N 1 1 308.386 -0.617 10 0 DBAEMO CNC(=O)NC(=O)CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105869012 374910311 /nfs/dbraw/zinc/91/03/11/374910311.db2.gz GOAGRTHWNDJAOO-UHFFFAOYSA-N 1 1 308.386 -0.617 10 0 DBAEMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869002 374911113 /nfs/dbraw/zinc/91/11/13/374911113.db2.gz PRHOYXLBKVXAKD-LLVKDONJSA-N 1 1 308.386 -0.489 10 0 DBAEMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869002 374911117 /nfs/dbraw/zinc/91/11/17/374911117.db2.gz PRHOYXLBKVXAKD-LLVKDONJSA-N 1 1 308.386 -0.489 10 0 DBAEMO C[C@H](C(=O)NC(N)=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105869002 374911125 /nfs/dbraw/zinc/91/11/25/374911125.db2.gz PRHOYXLBKVXAKD-LLVKDONJSA-N 1 1 308.386 -0.489 10 0 DBAEMO C[C@H](C(=O)NC(N)=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105869002 374911130 /nfs/dbraw/zinc/91/11/30/374911130.db2.gz PRHOYXLBKVXAKD-LLVKDONJSA-N 1 1 308.386 -0.489 10 0 DBAEMO C[C@H](C(N)=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000105894308 374911628 /nfs/dbraw/zinc/91/16/28/374911628.db2.gz ULHAOANXWBHPAO-KGLIPLIRSA-N 1 1 307.394 -0.082 10 0 DBAEMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883461 374912018 /nfs/dbraw/zinc/91/20/18/374912018.db2.gz FPFAFUGLOZUTMS-LBPRGKRZSA-N 1 1 309.370 -0.331 10 0 DBAEMO Cn1cc([C@H]2CC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)cn1 ZINC000116322955 374984211 /nfs/dbraw/zinc/98/42/11/374984211.db2.gz HVYZBBMOJGJSAX-ZDUSSCGKSA-N 1 1 319.409 -0.052 10 0 DBAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)cn1 ZINC000116322955 374984219 /nfs/dbraw/zinc/98/42/19/374984219.db2.gz HVYZBBMOJGJSAX-ZDUSSCGKSA-N 1 1 319.409 -0.052 10 0 DBAEMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000247994452 375059430 /nfs/dbraw/zinc/05/94/30/375059430.db2.gz MFNFNJHISPVIQU-RYUDHWBXSA-N 1 1 310.398 -0.737 10 0 DBAEMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000247994452 375059437 /nfs/dbraw/zinc/05/94/37/375059437.db2.gz MFNFNJHISPVIQU-RYUDHWBXSA-N 1 1 310.398 -0.737 10 0 DBAEMO Cn1cnn(CC(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)c1=O ZINC000570794262 375390921 /nfs/dbraw/zinc/39/09/21/375390921.db2.gz GNWOMAYVUJTAQZ-GFCCVEGCSA-N 1 1 302.338 -0.850 10 0 DBAEMO C[C@H](O)C[N@@H+](CCO)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000289824624 375388091 /nfs/dbraw/zinc/38/80/91/375388091.db2.gz OIAYSHXOSUCJSI-RYUDHWBXSA-N 1 1 322.361 -0.681 10 0 DBAEMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332785241 375413324 /nfs/dbraw/zinc/41/33/24/375413324.db2.gz FBROKOJDBWKGGI-DOERSZECSA-N 1 1 320.397 0.000 10 0 DBAEMO CCNC(=O)NC(=O)CN1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000105835798 375434488 /nfs/dbraw/zinc/43/44/88/375434488.db2.gz RCUOYSFSJAOGLE-GFCCVEGCSA-N 1 1 300.403 -0.125 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C ZINC000172552952 375481914 /nfs/dbraw/zinc/48/19/14/375481914.db2.gz ASOFAOFBMIPRSH-CYBMUJFWSA-N 1 1 320.393 -0.010 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C ZINC000172552952 375481920 /nfs/dbraw/zinc/48/19/20/375481920.db2.gz ASOFAOFBMIPRSH-CYBMUJFWSA-N 1 1 320.393 -0.010 10 0 DBAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000174647877 375491301 /nfs/dbraw/zinc/49/13/01/375491301.db2.gz DAYHXARIIRWVLD-CYBMUJFWSA-N 1 1 305.382 -0.154 10 0 DBAEMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000174647877 375491309 /nfs/dbraw/zinc/49/13/09/375491309.db2.gz DAYHXARIIRWVLD-CYBMUJFWSA-N 1 1 305.382 -0.154 10 0 DBAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CN1CC(=O)NC1=O ZINC000177222115 375505967 /nfs/dbraw/zinc/50/59/67/375505967.db2.gz GSJVKEKWGVMMMN-LLVKDONJSA-N 1 1 305.338 -0.266 10 0 DBAEMO COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179174223 375517198 /nfs/dbraw/zinc/51/71/98/375517198.db2.gz YXTXAFAZTSHBOQ-CABCVRRESA-N 1 1 308.378 -0.123 10 0 DBAEMO COCc1ccccc1CNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179174223 375517206 /nfs/dbraw/zinc/51/72/06/375517206.db2.gz YXTXAFAZTSHBOQ-CABCVRRESA-N 1 1 308.378 -0.123 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2nccn(C)c2=O)CC1 ZINC000183800944 375546760 /nfs/dbraw/zinc/54/67/60/375546760.db2.gz WRVOXPVKZMHTDU-NSHDSACASA-N 1 1 309.370 -0.299 10 0 DBAEMO C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)C[NH+]1CCOCC1 ZINC000159149569 376111772 /nfs/dbraw/zinc/11/17/72/376111772.db2.gz APPLJIMMHAMITJ-ZIAGYGMSSA-N 1 1 314.430 -0.416 10 0 DBAEMO O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCNC(=O)C1 ZINC000249566791 377163487 /nfs/dbraw/zinc/16/34/87/377163487.db2.gz NFKGVKJXQUKZMV-STQMWFEESA-N 1 1 323.418 -0.286 10 0 DBAEMO O=C(C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)N1CCNC(=O)C1 ZINC000249566791 377163492 /nfs/dbraw/zinc/16/34/92/377163492.db2.gz NFKGVKJXQUKZMV-STQMWFEESA-N 1 1 323.418 -0.286 10 0 DBAEMO CC(C)(C)OC(=O)NCC[C@H]1CN(S(N)(=O)=O)CC[NH2+]1 ZINC000616655082 377296992 /nfs/dbraw/zinc/29/69/92/377296992.db2.gz TZRATGZFWHNOBV-VIFPVBQESA-N 1 1 308.404 -0.622 10 0 DBAEMO CN1CCO[C@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638276888 377867846 /nfs/dbraw/zinc/86/78/46/377867846.db2.gz QNAUDPFQVFZHBC-CVEARBPZSA-N 1 1 320.437 -0.108 10 0 DBAEMO Cn1ncc2c1nc(N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)[nH]c2=O ZINC000328933227 378197749 /nfs/dbraw/zinc/19/77/49/378197749.db2.gz DTJYSIDKCYFCOT-MNOVXSKESA-N 1 1 304.354 -0.022 10 0 DBAEMO CC(C)N1C(=O)N[C@@H]2CN(CC(=O)N3CC[NH+](C)CC3)CC[C@@H]21 ZINC000328976044 378199140 /nfs/dbraw/zinc/19/91/40/378199140.db2.gz QBVIVSUOJLVAOD-KGLIPLIRSA-N 1 1 323.441 -0.159 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000328769399 378183726 /nfs/dbraw/zinc/18/37/26/378183726.db2.gz IKNKFVQVGFODNH-NEPJUHHUSA-N 1 1 307.398 -0.175 10 0 DBAEMO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000329281383 378472906 /nfs/dbraw/zinc/47/29/06/378472906.db2.gz ADGOYPNTSJLOCT-IACUBPJLSA-N 1 1 321.381 -0.215 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000248654425 378573887 /nfs/dbraw/zinc/57/38/87/378573887.db2.gz VWJDUGQTEPDFIM-AGIUHOORSA-N 1 1 312.414 -0.296 10 0 DBAEMO O[C@@H](COc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000639741857 378619301 /nfs/dbraw/zinc/61/93/01/378619301.db2.gz GOJLSYUOWSGMOH-BPLDGKMQSA-N 1 1 304.350 -0.064 10 0 DBAEMO Cc1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(=O)[nH]c1C ZINC000120869398 379631522 /nfs/dbraw/zinc/63/15/22/379631522.db2.gz HXBDFSQVCCBVKL-NXEZZACHSA-N 1 1 308.382 -0.086 10 0 DBAEMO Cc1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(=O)[nH]c1C ZINC000120869398 379631529 /nfs/dbraw/zinc/63/15/29/379631529.db2.gz HXBDFSQVCCBVKL-NXEZZACHSA-N 1 1 308.382 -0.086 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCN1C[C@H](C)O ZINC000368251545 379686095 /nfs/dbraw/zinc/68/60/95/379686095.db2.gz GEUAXVNVLKDSHH-ARFHVFGLSA-N 1 1 324.469 -0.320 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCN1C[C@H](C)O ZINC000368251545 379686103 /nfs/dbraw/zinc/68/61/03/379686103.db2.gz GEUAXVNVLKDSHH-ARFHVFGLSA-N 1 1 324.469 -0.320 10 0 DBAEMO CC(C)(CNC(=O)CN1CC[N@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000171637954 379693524 /nfs/dbraw/zinc/69/35/24/379693524.db2.gz PMHMFFRFQNATDO-OAHLLOKOSA-N 1 1 324.469 -0.007 10 0 DBAEMO CC(=O)NCCNC(=O)CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171867216 379694204 /nfs/dbraw/zinc/69/42/04/379694204.db2.gz NWBJZHZRNWWIBI-CYBMUJFWSA-N 1 1 310.398 -0.675 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000172335524 379697182 /nfs/dbraw/zinc/69/71/82/379697182.db2.gz UYAVYQLBNXJUFQ-ZIAGYGMSSA-N 1 1 314.430 -0.321 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000172335524 379697185 /nfs/dbraw/zinc/69/71/85/379697185.db2.gz UYAVYQLBNXJUFQ-ZIAGYGMSSA-N 1 1 314.430 -0.321 10 0 DBAEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C2=NNC(=O)CC2)CC1 ZINC000122407248 379666353 /nfs/dbraw/zinc/66/63/53/379666353.db2.gz SXXYXCXYJYLGKN-GFCCVEGCSA-N 1 1 309.414 -0.358 10 0 DBAEMO NC(=O)[C@H]1CCCN(C(=O)CN2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000177755070 379725337 /nfs/dbraw/zinc/72/53/37/379725337.db2.gz SNGJOOSOZRICMC-KBPBESRZSA-N 1 1 308.426 -0.120 10 0 DBAEMO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCN2CCCC2)CCO1 ZINC000192668178 379791208 /nfs/dbraw/zinc/79/12/08/379791208.db2.gz XKZXNLQPAINIAR-CYBMUJFWSA-N 1 1 305.444 -0.326 10 0 DBAEMO CC(=O)NCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185426292 379760387 /nfs/dbraw/zinc/76/03/87/379760387.db2.gz TUTGJOAOJLNKBX-NWDGAFQWSA-N 1 1 300.403 -0.391 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(=O)NCC2CC2)C[C@@H]1C ZINC000186760125 379766592 /nfs/dbraw/zinc/76/65/92/379766592.db2.gz JVQFABMZFQCMQB-NWDGAFQWSA-N 1 1 312.414 -0.391 10 0 DBAEMO C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)C[NH+]1CCOCC1 ZINC000187210462 379767250 /nfs/dbraw/zinc/76/72/50/379767250.db2.gz DFXBDHLVBXHUNR-LBPRGKRZSA-N 1 1 324.425 -0.125 10 0 DBAEMO COCC(=O)NC1CN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000188361498 379771868 /nfs/dbraw/zinc/77/18/68/379771868.db2.gz URBRMXHBGIGXPE-GFCCVEGCSA-N 1 1 312.414 -0.125 10 0 DBAEMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000195091006 379929572 /nfs/dbraw/zinc/92/95/72/379929572.db2.gz TWPXPXBQYPOQQM-CYBMUJFWSA-N 1 1 324.425 -0.475 10 0 DBAEMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000195091006 379929574 /nfs/dbraw/zinc/92/95/74/379929574.db2.gz TWPXPXBQYPOQQM-CYBMUJFWSA-N 1 1 324.425 -0.475 10 0 DBAEMO CS(=O)(=O)N1CCC(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000195325820 379931438 /nfs/dbraw/zinc/93/14/38/379931438.db2.gz VPRHHYDWMNTAJC-CYBMUJFWSA-N 1 1 315.439 -0.035 10 0 DBAEMO C[C@H]1C[N@@H+](CC(=O)N2CCN(C)CC2)C[C@H]1N1CCOCC1 ZINC000245535349 379935983 /nfs/dbraw/zinc/93/59/83/379935983.db2.gz KQRYHGKSUYWIEE-LSDHHAIUSA-N 1 1 310.442 -0.587 10 0 DBAEMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000246794571 380098714 /nfs/dbraw/zinc/09/87/14/380098714.db2.gz AQWVTWCEJXGYPB-JKSUJKDBSA-N 1 1 324.469 -0.055 10 0 DBAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN([C@H]3CCN(C)C3=O)CC2)C1 ZINC000246791168 380099551 /nfs/dbraw/zinc/09/95/51/380099551.db2.gz AKHOOEFKCQDPBU-CVEARBPZSA-N 1 1 324.469 -0.056 10 0 DBAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000246879638 380101540 /nfs/dbraw/zinc/10/15/40/380101540.db2.gz FUTOVPSULHPEBF-OLZOCXBDSA-N 1 1 320.393 -0.368 10 0 DBAEMO CCCNC(=O)NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247077396 380101776 /nfs/dbraw/zinc/10/17/76/380101776.db2.gz GVMFUIBJLZJOPI-STQMWFEESA-N 1 1 314.430 -0.001 10 0 DBAEMO CC[C@@H]1CN(CC(=O)NCCCOC)CC[N@H+]1C[C@H](C)O ZINC000247002544 380103166 /nfs/dbraw/zinc/10/31/66/380103166.db2.gz BOYYCNKAPMEGDB-UONOGXRCSA-N 1 1 301.431 -0.084 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247311281 380105251 /nfs/dbraw/zinc/10/52/51/380105251.db2.gz OAHJSGWNQQDOCL-VXGBXAGGSA-N 1 1 318.443 -0.196 10 0 DBAEMO CC[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CC[N@H+]1CCOC ZINC000247117365 380105734 /nfs/dbraw/zinc/10/57/34/380105734.db2.gz JJXRKOKVWLXRNW-CVEARBPZSA-N 1 1 315.458 -0.278 10 0 DBAEMO CC[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1CCOC ZINC000247117365 380105741 /nfs/dbraw/zinc/10/57/41/380105741.db2.gz JJXRKOKVWLXRNW-CVEARBPZSA-N 1 1 315.458 -0.278 10 0 DBAEMO CC[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCN1CCOC ZINC000247117365 380105747 /nfs/dbraw/zinc/10/57/47/380105747.db2.gz JJXRKOKVWLXRNW-CVEARBPZSA-N 1 1 315.458 -0.278 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247311272 380105842 /nfs/dbraw/zinc/10/58/42/380105842.db2.gz OAHJSGWNQQDOCL-NEPJUHHUSA-N 1 1 318.443 -0.196 10 0 DBAEMO CC[C@@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CC[N@H+]1CCOC ZINC000247275778 380106008 /nfs/dbraw/zinc/10/60/08/380106008.db2.gz CPGOGVXZPBOOGO-OLZOCXBDSA-N 1 1 312.414 -0.031 10 0 DBAEMO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247774065 380108278 /nfs/dbraw/zinc/10/82/78/380108278.db2.gz QADBIWSOGWJVFN-GRYCIOLGSA-N 1 1 323.445 -0.032 10 0 DBAEMO CC(C)C(=O)NCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248651211 380109987 /nfs/dbraw/zinc/10/99/87/380109987.db2.gz UWBXHSLUBDRPIM-OLZOCXBDSA-N 1 1 314.430 -0.145 10 0 DBAEMO CC(C)NC(=O)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248609988 380110092 /nfs/dbraw/zinc/11/00/92/380110092.db2.gz KRCJYQSDMWULQK-STQMWFEESA-N 1 1 314.430 -0.002 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2nccn(C)c2=O)C[C@H]1C ZINC000248622818 380110231 /nfs/dbraw/zinc/11/02/31/380110231.db2.gz NKOCPXOFAHMNAZ-MNOVXSKESA-N 1 1 309.370 -0.301 10 0 DBAEMO CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CCO1 ZINC000248441681 380110469 /nfs/dbraw/zinc/11/04/69/380110469.db2.gz KIGXGFQPCNMOAZ-XQQFMLRXSA-N 1 1 312.414 -0.129 10 0 DBAEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)cn1 ZINC000252444637 380128759 /nfs/dbraw/zinc/12/87/59/380128759.db2.gz POMCPYJUCWXVME-CHWSQXEVSA-N 1 1 319.409 -0.067 10 0 DBAEMO O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@@H]1COCC[NH2+]1 ZINC000263290288 380214227 /nfs/dbraw/zinc/21/42/27/380214227.db2.gz WBNISAWQKGREBY-JSGCOSHPSA-N 1 1 315.439 -0.701 10 0 DBAEMO CCN1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC)C2)C(=O)C1=O ZINC000060416568 380463502 /nfs/dbraw/zinc/46/35/02/380463502.db2.gz JMRDFDQDOIMBFK-GFCCVEGCSA-N 1 1 310.398 -0.722 10 0 DBAEMO COc1c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c(C)nn1C ZINC000093583702 380467455 /nfs/dbraw/zinc/46/74/55/380467455.db2.gz GDLZAYBJNXGKRM-CYBMUJFWSA-N 1 1 312.414 -0.138 10 0 DBAEMO COc1c(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c(C)nn1C ZINC000093583702 380467466 /nfs/dbraw/zinc/46/74/66/380467466.db2.gz GDLZAYBJNXGKRM-CYBMUJFWSA-N 1 1 312.414 -0.138 10 0 DBAEMO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000246585700 380829011 /nfs/dbraw/zinc/82/90/11/380829011.db2.gz STTQVQFWYKMEHU-PRULPYPASA-N 1 1 310.398 -0.104 10 0 DBAEMO CCS(=O)(=O)NCCCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245509463 381563754 /nfs/dbraw/zinc/56/37/54/381563754.db2.gz KHHQFLVJKAJGTF-OLZOCXBDSA-N 1 1 307.460 -0.297 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000251601959 381609894 /nfs/dbraw/zinc/60/98/94/381609894.db2.gz FUXRFQSSGBEKQF-WDEREUQCSA-N 1 1 306.432 -0.437 10 0 DBAEMO CC[C@H]1CN(C(=O)NCc2ncn(C)n2)CC[N@H+]1C[C@H](C)O ZINC000253028472 381616228 /nfs/dbraw/zinc/61/62/28/381616228.db2.gz HVHBYNAJAJHVEQ-RYUDHWBXSA-N 1 1 310.402 -0.198 10 0 DBAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(=O)N(C)C ZINC000154462375 381687010 /nfs/dbraw/zinc/68/70/10/381687010.db2.gz PCWFENQGTRIHOK-GFCCVEGCSA-N 1 1 312.414 -0.573 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C[C@@H]1C ZINC000158364830 381739961 /nfs/dbraw/zinc/73/99/61/381739961.db2.gz OXRLDUBNEUNULQ-WDEREUQCSA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cnn(C)c2)C[C@@H]1C ZINC000158364830 381739970 /nfs/dbraw/zinc/73/99/70/381739970.db2.gz OXRLDUBNEUNULQ-WDEREUQCSA-N 1 1 309.370 -0.728 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000181807923 382073582 /nfs/dbraw/zinc/07/35/82/382073582.db2.gz BGSXWKNCQDIECB-STQMWFEESA-N 1 1 312.414 -0.295 10 0 DBAEMO Cc1c(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cnn1C ZINC000404168287 382404658 /nfs/dbraw/zinc/40/46/58/382404658.db2.gz UMFFOWSTJKDPOC-WDEREUQCSA-N 1 1 300.384 -0.520 10 0 DBAEMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000028659177 382628665 /nfs/dbraw/zinc/62/86/65/382628665.db2.gz MFNFNJHISPVIQU-VXGBXAGGSA-N 1 1 310.398 -0.737 10 0 DBAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000028659177 382628667 /nfs/dbraw/zinc/62/86/67/382628667.db2.gz MFNFNJHISPVIQU-VXGBXAGGSA-N 1 1 310.398 -0.737 10 0 DBAEMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171639764 382658149 /nfs/dbraw/zinc/65/81/49/382658149.db2.gz MQKZIBBAQWSCHU-TZMCWYRMSA-N 1 1 308.426 -0.121 10 0 DBAEMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171639757 382658504 /nfs/dbraw/zinc/65/85/04/382658504.db2.gz MQKZIBBAQWSCHU-GXTWGEPZSA-N 1 1 308.426 -0.121 10 0 DBAEMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173936635 382693787 /nfs/dbraw/zinc/69/37/87/382693787.db2.gz ADBABQCBVVXFFU-HRCADAONSA-N 1 1 314.426 -0.051 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCCC2=O)C[C@H]1N1CCOCC1 ZINC000246100394 382694197 /nfs/dbraw/zinc/69/41/97/382694197.db2.gz IIQSOBVHINAZNY-RBSFLKMASA-N 1 1 311.426 -0.378 10 0 DBAEMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173954768 382694496 /nfs/dbraw/zinc/69/44/96/382694496.db2.gz RMFUFOSOKHCMKG-AAEUAGOBSA-N 1 1 310.398 -0.230 10 0 DBAEMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173954768 382694497 /nfs/dbraw/zinc/69/44/97/382694497.db2.gz RMFUFOSOKHCMKG-AAEUAGOBSA-N 1 1 310.398 -0.230 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CC1 ZINC000246502097 382695337 /nfs/dbraw/zinc/69/53/37/382695337.db2.gz OGIUWAXANFWGOJ-FRRDWIJNSA-N 1 1 312.414 -0.886 10 0 DBAEMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408041434 220920823 /nfs/dbraw/zinc/92/08/23/220920823.db2.gz GYTPBUYZSVGYSC-MNOVXSKESA-N 1 1 304.416 -0.634 10 0 DBAEMO Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1=O ZINC000275717233 130371581 /nfs/dbraw/zinc/37/15/81/130371581.db2.gz OCUCEPUEYBICPA-STQMWFEESA-N 1 1 319.409 -0.041 10 0 DBAEMO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1C(N)=O ZINC000286108593 391955834 /nfs/dbraw/zinc/95/58/34/391955834.db2.gz IVFPMWFELIRHFB-IJLUTSLNSA-N 1 1 305.382 -0.031 10 0 DBAEMO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286103363 131219617 /nfs/dbraw/zinc/21/96/17/131219617.db2.gz ILIJLDHHRFXHPP-QGZVFWFLSA-N 1 1 319.405 -0.034 10 0 DBAEMO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286103363 131219618 /nfs/dbraw/zinc/21/96/18/131219618.db2.gz ILIJLDHHRFXHPP-QGZVFWFLSA-N 1 1 319.405 -0.034 10 0 DBAEMO CC(C)CNC(=O)NC(=O)CN1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408038054 392691443 /nfs/dbraw/zinc/69/14/43/392691443.db2.gz JRCURORFIORGTM-QWHCGFSZSA-N 1 1 312.414 -0.127 10 0 DBAEMO CNS(=O)(=O)CCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000407951780 392663469 /nfs/dbraw/zinc/66/34/69/392663469.db2.gz TYZFGUXDCMTELB-STQMWFEESA-N 1 1 305.444 -0.422 10 0 DBAEMO C[N@@H+](CC(=O)N1CCC[C@@](O)(C(N)=O)C1)[C@@H]1CCSC1 ZINC000408056746 392790081 /nfs/dbraw/zinc/79/00/81/392790081.db2.gz LACDZEDQPMVGBQ-MFKMUULPSA-N 1 1 301.412 -0.738 10 0 DBAEMO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)c1nnnn1C ZINC000408071304 392795703 /nfs/dbraw/zinc/79/57/03/392795703.db2.gz NDNGYRNIWZODNH-LPEHRKFASA-N 1 1 302.404 -0.279 10 0 DBAEMO Cn1ncc2c1nc(N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)[nH]c2=O ZINC000328933228 393031368 /nfs/dbraw/zinc/03/13/68/393031368.db2.gz DTJYSIDKCYFCOT-QWRGUYRKSA-N 1 1 304.354 -0.022 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC)c2)CC1 ZINC000189461366 393048894 /nfs/dbraw/zinc/04/88/94/393048894.db2.gz PAFJQGAMKXPFLT-ZDUSSCGKSA-N 1 1 323.397 -0.243 10 0 DBAEMO C[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)C1(C(N)=O)CCCC1 ZINC000093213027 393063703 /nfs/dbraw/zinc/06/37/03/393063703.db2.gz TZEPGPNELRLEOE-LLVKDONJSA-N 1 1 310.398 -0.560 10 0 DBAEMO C[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)C1(C(N)=O)CCCC1 ZINC000093213027 393063709 /nfs/dbraw/zinc/06/37/09/393063709.db2.gz TZEPGPNELRLEOE-LLVKDONJSA-N 1 1 310.398 -0.560 10 0 DBAEMO CO[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@H]1O ZINC000395325298 393320331 /nfs/dbraw/zinc/32/03/31/393320331.db2.gz OXIJXAXNGRIKTA-ZLKJLUDKSA-N 1 1 320.345 -0.665 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000117286256 393454250 /nfs/dbraw/zinc/45/42/50/393454250.db2.gz LHLNBUXTOKZGRL-CHWSQXEVSA-N 1 1 312.414 -0.044 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C ZINC000117286256 393454256 /nfs/dbraw/zinc/45/42/56/393454256.db2.gz LHLNBUXTOKZGRL-CHWSQXEVSA-N 1 1 312.414 -0.044 10 0 DBAEMO C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)C(=O)N(C)C ZINC000248613721 393594269 /nfs/dbraw/zinc/59/42/69/393594269.db2.gz LLQRLYVKWJVNCP-SDDRHHMPSA-N 1 1 300.403 -0.440 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H]1C ZINC000172604352 393759838 /nfs/dbraw/zinc/75/98/38/393759838.db2.gz MEYCHJKBELLKAM-CHWSQXEVSA-N 1 1 322.413 -0.045 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H]1C ZINC000172604352 393759842 /nfs/dbraw/zinc/75/98/42/393759842.db2.gz MEYCHJKBELLKAM-CHWSQXEVSA-N 1 1 322.413 -0.045 10 0 DBAEMO COCC(=O)NC1CN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000188361519 292179287 /nfs/dbraw/zinc/17/92/87/292179287.db2.gz URBRMXHBGIGXPE-LBPRGKRZSA-N 1 1 312.414 -0.125 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000106395127 276596770 /nfs/dbraw/zinc/59/67/70/276596770.db2.gz PUGLLRQTRJIEKD-STQMWFEESA-N 1 1 312.414 -0.308 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCOC[C@H]2c2nc(C)no2)[N@H+](C)C1 ZINC000329030933 277346196 /nfs/dbraw/zinc/34/61/96/277346196.db2.gz PPJLYCHQJWZZDD-SRVKXCTJSA-N 1 1 310.354 -0.003 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCOC[C@H]2c2nc(C)no2)[N@@H+](C)C1 ZINC000329030933 277346197 /nfs/dbraw/zinc/34/61/97/277346197.db2.gz PPJLYCHQJWZZDD-SRVKXCTJSA-N 1 1 310.354 -0.003 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329233972 279112947 /nfs/dbraw/zinc/11/29/47/279112947.db2.gz MKKOSVSLOZGNEY-JTNHKYCSSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000329233972 279112948 /nfs/dbraw/zinc/11/29/48/279112948.db2.gz MKKOSVSLOZGNEY-JTNHKYCSSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000329233972 279112949 /nfs/dbraw/zinc/11/29/49/279112949.db2.gz MKKOSVSLOZGNEY-JTNHKYCSSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000329233972 279112950 /nfs/dbraw/zinc/11/29/50/279112950.db2.gz MKKOSVSLOZGNEY-JTNHKYCSSA-N 1 1 307.398 -0.177 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000329233972 279112951 /nfs/dbraw/zinc/11/29/51/279112951.db2.gz MKKOSVSLOZGNEY-JTNHKYCSSA-N 1 1 307.398 -0.177 10 0 DBAEMO Cn1cc([C@]2(C)CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)cn1 ZINC000127873714 279351270 /nfs/dbraw/zinc/35/12/70/279351270.db2.gz QVQJHXVUDJXRKR-HIFRSBDPSA-N 1 1 308.382 -0.175 10 0 DBAEMO Cn1cc([C@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)cn1 ZINC000127873714 279351273 /nfs/dbraw/zinc/35/12/73/279351273.db2.gz QVQJHXVUDJXRKR-HIFRSBDPSA-N 1 1 308.382 -0.175 10 0 DBAEMO C[C@H]1OCCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)[C@@H]1C(N)=O ZINC000408058999 280054224 /nfs/dbraw/zinc/05/42/24/280054224.db2.gz AZZWSDQIRSOJTF-FOGDFJRCSA-N 1 1 301.412 -0.475 10 0 DBAEMO C[C@]1(F)C[NH2+]CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000333708739 280163246 /nfs/dbraw/zinc/16/32/46/280163246.db2.gz FENQMZATVZULRQ-LOWVWBTDSA-N 1 1 312.349 -0.439 10 0 DBAEMO CC[C@H]1CN(CCCC(=O)NC(N)=O)CC[N@H+]1C[C@H](C)O ZINC000247098295 281166266 /nfs/dbraw/zinc/16/62/66/281166266.db2.gz IAKXVOIDFHWEHQ-RYUDHWBXSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@H]1C[N@H+](CCCC(=O)NC(N)=O)CCN1C[C@H](C)O ZINC000247098295 281166271 /nfs/dbraw/zinc/16/62/71/281166271.db2.gz IAKXVOIDFHWEHQ-RYUDHWBXSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@H]1C[N@@H+](CCCC(=O)NC(N)=O)CCN1C[C@H](C)O ZINC000247098295 281166274 /nfs/dbraw/zinc/16/62/74/281166274.db2.gz IAKXVOIDFHWEHQ-RYUDHWBXSA-N 1 1 300.403 -0.262 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)NC ZINC000408455609 288308428 /nfs/dbraw/zinc/30/84/28/288308428.db2.gz YYSVZRSHSJCLNT-WDEREUQCSA-N 1 1 304.416 -0.875 10 0 DBAEMO C[C@@]1(F)C[NH2+]CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000333708738 289188992 /nfs/dbraw/zinc/18/89/92/289188992.db2.gz FENQMZATVZULRQ-DMDPSCGWSA-N 1 1 312.349 -0.439 10 0 DBAEMO CN(C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000408018427 289215502 /nfs/dbraw/zinc/21/55/02/289215502.db2.gz RPMFBERGIGTHQB-NEPJUHHUSA-N 1 1 319.427 -0.512 10 0 DBAEMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 ZINC000329365533 290105296 /nfs/dbraw/zinc/10/52/96/290105296.db2.gz GMPUAGKLCHEWOU-XQQFMLRXSA-N 1 1 313.398 -0.853 10 0 DBAEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCS(C)(=O)=O ZINC000121434211 297096520 /nfs/dbraw/zinc/09/65/20/297096520.db2.gz GGCCSSYEZOAHQL-VXGBXAGGSA-N 1 1 324.468 -0.081 10 0 DBAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCS(C)(=O)=O ZINC000121434211 297096522 /nfs/dbraw/zinc/09/65/22/297096522.db2.gz GGCCSSYEZOAHQL-VXGBXAGGSA-N 1 1 324.468 -0.081 10 0 DBAEMO Cc1cnn(C)c1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408072754 302395680 /nfs/dbraw/zinc/39/56/80/302395680.db2.gz SIOWGUSYIUANJL-RYUDHWBXSA-N 1 1 314.411 -0.178 10 0 DBAEMO Cc1cnn(C)c1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408072754 302395683 /nfs/dbraw/zinc/39/56/83/302395683.db2.gz SIOWGUSYIUANJL-RYUDHWBXSA-N 1 1 314.411 -0.178 10 0 DBAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000176988665 521630070 /nfs/dbraw/zinc/63/00/70/521630070.db2.gz VRCNENHVNHDTIO-GFCCVEGCSA-N 1 1 308.382 -0.510 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000119829827 521679889 /nfs/dbraw/zinc/67/98/89/521679889.db2.gz KLPDLKCWCFPNMP-NWDGAFQWSA-N 1 1 320.459 -0.046 10 0 DBAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2nocc2C)CC1 ZINC000189455208 522995679 /nfs/dbraw/zinc/99/56/79/522995679.db2.gz HBASVNAIYCZOSN-LLVKDONJSA-N 1 1 310.354 -0.163 10 0 DBAEMO CC[C@H]1CN(CCCN2C(=O)CNC2=O)CC[N@H+]1CCOC ZINC000105837226 523276527 /nfs/dbraw/zinc/27/65/27/523276527.db2.gz NABPRIIBAPSRSK-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO CC[C@H]1C[N@H+](CCCN2C(=O)CNC2=O)CCN1CCOC ZINC000105837226 523276539 /nfs/dbraw/zinc/27/65/39/523276539.db2.gz NABPRIIBAPSRSK-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO CC[C@H]1C[N@@H+](CCCN2C(=O)CNC2=O)CCN1CCOC ZINC000105837226 523276576 /nfs/dbraw/zinc/27/65/76/523276576.db2.gz NABPRIIBAPSRSK-ZDUSSCGKSA-N 1 1 312.414 -0.029 10 0 DBAEMO CC[C@@H]1CN(CCCN2C(=O)CNC2=O)CC[N@H+]1C[C@@H](C)O ZINC000105827671 523438545 /nfs/dbraw/zinc/43/85/45/523438545.db2.gz OTCCTNJUJODUFP-CHWSQXEVSA-N 1 1 312.414 -0.295 10 0 DBAEMO COCC[N@H+]1CCN(Cc2nc(N)nc(N(C)C)n2)C[C@@H]1C ZINC000106108658 523857113 /nfs/dbraw/zinc/85/71/13/523857113.db2.gz BSRGIDATCLJDEH-NSHDSACASA-N 1 1 309.418 -0.328 10 0 DBAEMO C[N@H+]1CCN(CCNC(=O)N[C@@H]2CC[S@](=O)C2)CC1(C)C ZINC000333081988 523901459 /nfs/dbraw/zinc/90/14/59/523901459.db2.gz MFXUPDBPXZBFAD-GTJPDFRWSA-N 1 1 316.471 -0.167 10 0 DBAEMO Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@](O)(C(N)=O)C2)c1 ZINC000346593802 524415583 /nfs/dbraw/zinc/41/55/83/524415583.db2.gz URWSUHQDXCBQII-MRXNPFEDSA-N 1 1 305.378 -0.077 10 0 DBAEMO Cc1cccc(CNC(=O)C[N@H+]2CCC[C@](O)(C(N)=O)C2)c1 ZINC000346593802 524415591 /nfs/dbraw/zinc/41/55/91/524415591.db2.gz URWSUHQDXCBQII-MRXNPFEDSA-N 1 1 305.378 -0.077 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCCC2=O)C[C@@H]1N1CCOCC1 ZINC000246100364 524965570 /nfs/dbraw/zinc/96/55/70/524965570.db2.gz IIQSOBVHINAZNY-KFWWJZLASA-N 1 1 311.426 -0.378 10 0 DBAEMO C[C@@](O)(CNC(=O)[C@]1(C)CCCNC1=O)C[NH+]1CCOCC1 ZINC000333035541 525772354 /nfs/dbraw/zinc/77/23/54/525772354.db2.gz URXIZMCABNYDLN-HUUCEWRRSA-N 1 1 313.398 -0.898 10 0 DBAEMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000408275890 536441241 /nfs/dbraw/zinc/44/12/41/536441241.db2.gz CAOYIWDXVWTSPL-TUAOUCFPSA-N 1 1 319.427 -0.706 10 0 DBAEMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000408275890 536441244 /nfs/dbraw/zinc/44/12/44/536441244.db2.gz CAOYIWDXVWTSPL-TUAOUCFPSA-N 1 1 319.427 -0.706 10 0 DBAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000247509053 526976517 /nfs/dbraw/zinc/97/65/17/526976517.db2.gz PEPGUIWOGVFROA-CQSZACIVSA-N 1 1 319.409 -0.028 10 0 DBAEMO Cn1cc(CN2CCC[N@@H+](CCC(=O)NC(N)=O)CC2)cn1 ZINC000105903521 527199835 /nfs/dbraw/zinc/19/98/35/527199835.db2.gz KIVUPZUUHLGXHQ-UHFFFAOYSA-N 1 1 308.386 -0.487 10 0 DBAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC000182305630 527439972 /nfs/dbraw/zinc/43/99/72/527439972.db2.gz PWHUHCAYQUQMFO-LBPRGKRZSA-N 1 1 304.354 -0.222 10 0 DBAEMO CN1CCN(C)[C@@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000408181069 535946803 /nfs/dbraw/zinc/94/68/03/535946803.db2.gz AGBLEBBGIDSQJB-UONOGXRCSA-N 1 1 313.446 -0.796 10 0 DBAEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000300676034 663932418 /nfs/dbraw/zinc/93/24/18/663932418.db2.gz UVVAPOTWELBCOO-NEPJUHHUSA-N 1 1 305.444 -0.390 10 0 DBAEMO CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C ZINC000933058748 664119615 /nfs/dbraw/zinc/11/96/15/664119615.db2.gz ZBPPXZSJAQGLLA-NEPJUHHUSA-N 1 1 311.382 -0.392 10 0 DBAEMO CCOCC[N@H+]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C ZINC000933058748 664119623 /nfs/dbraw/zinc/11/96/23/664119623.db2.gz ZBPPXZSJAQGLLA-NEPJUHHUSA-N 1 1 311.382 -0.392 10 0 DBAEMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCOC[C@H]2CO)C1 ZINC000912430682 674769062 /nfs/dbraw/zinc/76/90/62/674769062.db2.gz IQPUHLMYDPXIHG-QWHCGFSZSA-N 1 1 314.382 -0.519 10 0 DBAEMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCOC[C@H]2CO)C1 ZINC000912430682 674769064 /nfs/dbraw/zinc/76/90/64/674769064.db2.gz IQPUHLMYDPXIHG-QWHCGFSZSA-N 1 1 314.382 -0.519 10 0 DBAEMO NC(=O)[C@H](F)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000913103265 674790411 /nfs/dbraw/zinc/79/04/11/674790411.db2.gz FHHQFQTVFJJKKK-FRRDWIJNSA-N 1 1 313.373 -0.088 10 0 DBAEMO Cc1nc2c(c(NCC(=O)N3CCOCC3)[nH+]1)NC(=O)[C@@H](C)N2 ZINC000224020391 674824705 /nfs/dbraw/zinc/82/47/05/674824705.db2.gz MDDIYXDAWYLSGW-MRVPVSSYSA-N 1 1 320.353 -0.192 10 0 DBAEMO Cc1nc(NCC(=O)N2CCOCC2)c2c([nH+]1)N[C@H](C)C(=O)N2 ZINC000224020391 674824706 /nfs/dbraw/zinc/82/47/06/674824706.db2.gz MDDIYXDAWYLSGW-MRVPVSSYSA-N 1 1 320.353 -0.192 10 0 DBAEMO O=C1NC2(CCOCC2)C(=O)N1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000172504231 674919406 /nfs/dbraw/zinc/91/94/06/674919406.db2.gz BUIDZBYFMBHKMF-LBPRGKRZSA-N 1 1 308.382 -0.175 10 0 DBAEMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C1 ZINC000174005482 674924681 /nfs/dbraw/zinc/92/46/81/674924681.db2.gz GHCPIGYTLHXREQ-MNOVXSKESA-N 1 1 312.457 -0.321 10 0 DBAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C1 ZINC000174005482 674924682 /nfs/dbraw/zinc/92/46/82/674924682.db2.gz GHCPIGYTLHXREQ-MNOVXSKESA-N 1 1 312.457 -0.321 10 0 DBAEMO O=C(C1C[NH+](C2CCOCC2)C1)N1CCOC[C@H]1c1nnc[nH]1 ZINC000897721738 672508210 /nfs/dbraw/zinc/50/82/10/672508210.db2.gz LEYOWSLLELVDJF-ZDUSSCGKSA-N 1 1 321.381 -0.185 10 0 DBAEMO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCS(C)(=O)=O ZINC000175399405 677511257 /nfs/dbraw/zinc/51/12/57/677511257.db2.gz IJUATORMGUKGSQ-NSHDSACASA-N 1 1 312.457 -0.223 10 0 DBAEMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCS(C)(=O)=O ZINC000175399405 677511259 /nfs/dbraw/zinc/51/12/59/677511259.db2.gz IJUATORMGUKGSQ-NSHDSACASA-N 1 1 312.457 -0.223 10 0 DBAEMO Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)n1 ZINC000286203775 138097569 /nfs/dbraw/zinc/09/75/69/138097569.db2.gz OBPCKZFLNNQOQC-XHDPSFHLSA-N 1 1 321.381 -0.772 10 0 DBAEMO Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)n1 ZINC000286203775 138097570 /nfs/dbraw/zinc/09/75/70/138097570.db2.gz OBPCKZFLNNQOQC-XHDPSFHLSA-N 1 1 321.381 -0.772 10 0 DBAEMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1)C1CCC1 ZINC000408354707 138215279 /nfs/dbraw/zinc/21/52/79/138215279.db2.gz IZJKHDMKXQMMFU-AWEZNQCLSA-N 1 1 306.410 -0.497 10 0 DBAEMO Cc1[nH]n(C)c2nnc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c1-2 ZINC000408030553 138203399 /nfs/dbraw/zinc/20/33/99/138203399.db2.gz LQBDMLLLWJALJX-JTQLQIEISA-N 1 1 303.370 -0.067 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)CC2)[N@@H+](C)C1 ZINC000408043610 138204636 /nfs/dbraw/zinc/20/46/36/138204636.db2.gz XLXOIFXXALTIRI-KBPBESRZSA-N 1 1 307.398 -0.212 10 0 DBAEMO CNS(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000408044343 138204663 /nfs/dbraw/zinc/20/46/63/138204663.db2.gz UMIOWGHOGUMSBP-JHJVBQTASA-N 1 1 306.428 -0.213 10 0 DBAEMO CNS(=O)(=O)CCC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000408044343 138204664 /nfs/dbraw/zinc/20/46/64/138204664.db2.gz UMIOWGHOGUMSBP-JHJVBQTASA-N 1 1 306.428 -0.213 10 0 DBAEMO C[N@@H+](CCO)C1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000408097070 138207214 /nfs/dbraw/zinc/20/72/14/138207214.db2.gz HXFKZHAIRBUBTH-ZDUSSCGKSA-N 1 1 306.428 -0.116 10 0 DBAEMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000408254881 138212625 /nfs/dbraw/zinc/21/26/25/138212625.db2.gz FXIXDWXZHOJRMC-CHWSQXEVSA-N 1 1 311.430 -0.458 10 0 DBAEMO CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CC[N@H+]1C[C@H](C)O ZINC000408305119 138214124 /nfs/dbraw/zinc/21/41/24/138214124.db2.gz HFJIOGDMDKOJJK-XQQFMLRXSA-N 1 1 312.414 -0.167 10 0 DBAEMO COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000408027752 284257834 /nfs/dbraw/zinc/25/78/34/284257834.db2.gz MKKZWDIUPITQTK-IJLUTSLNSA-N 1 1 320.411 -0.470 10 0 DBAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1C ZINC000408108825 296182591 /nfs/dbraw/zinc/18/25/91/296182591.db2.gz BTAPVELKHRZGGR-WDEREUQCSA-N 1 1 321.443 -0.772 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1C ZINC000408108825 296182593 /nfs/dbraw/zinc/18/25/93/296182593.db2.gz BTAPVELKHRZGGR-WDEREUQCSA-N 1 1 321.443 -0.772 10 0 DBAEMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921645 284353384 /nfs/dbraw/zinc/35/33/84/284353384.db2.gz CSBYKKWEANDSNZ-KGLIPLIRSA-N 1 1 310.442 -0.016 10 0 DBAEMO CC[NH+]1CCN(C(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000017031818 182070029 /nfs/dbraw/zinc/07/00/29/182070029.db2.gz CDHDBNDFVXPHIC-MELADBBJSA-N 1 1 308.426 -0.060 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1N1CCOCC1 ZINC000175589030 374402612 /nfs/dbraw/zinc/40/26/12/374402612.db2.gz IIQSOBVHINAZNY-ILXRZTDVSA-N 1 1 311.426 -0.378 10 0 DBAEMO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC000013541602 374568670 /nfs/dbraw/zinc/56/86/70/374568670.db2.gz JNVGBHKGTFVETK-STQMWFEESA-N 1 1 317.349 -0.802 10 0 DBAEMO CCS(=O)(=O)NCCCN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000408039036 374690258 /nfs/dbraw/zinc/69/02/58/374690258.db2.gz RJFRHWSPSVHSPJ-CHWSQXEVSA-N 1 1 305.444 -0.279 10 0 DBAEMO Cn1cnc2c1c(=O)n(CCC[N@@H+](CCO)C1CC1)c(=O)n2C ZINC000103467188 374900323 /nfs/dbraw/zinc/90/03/23/374900323.db2.gz RBHGQPLNCSCRJX-UHFFFAOYSA-N 1 1 321.381 -0.720 10 0 DBAEMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806120 374908065 /nfs/dbraw/zinc/90/80/65/374908065.db2.gz PERPKEAOYJZPQJ-SNVBAGLBSA-N 1 1 306.370 -0.039 10 0 DBAEMO Cc1ccc(N2CCC[N@H+](CC(=O)N3CCNC3=O)CC2)nn1 ZINC000105800917 374908601 /nfs/dbraw/zinc/90/86/01/374908601.db2.gz AMRBIMLVJZIBLF-UHFFFAOYSA-N 1 1 318.381 -0.151 10 0 DBAEMO Cc1ccc(N2CCC[N@@H+](CC(=O)N3CCNC3=O)CC2)nn1 ZINC000105800917 374908605 /nfs/dbraw/zinc/90/86/05/374908605.db2.gz AMRBIMLVJZIBLF-UHFFFAOYSA-N 1 1 318.381 -0.151 10 0 DBAEMO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)N1CCOCC1 ZINC000105798360 374909350 /nfs/dbraw/zinc/90/93/50/374909350.db2.gz CMVNJMHRGSHCQC-UHFFFAOYSA-N 1 1 305.382 -0.153 10 0 DBAEMO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)N1CCOCC1 ZINC000105798360 374909354 /nfs/dbraw/zinc/90/93/54/374909354.db2.gz CMVNJMHRGSHCQC-UHFFFAOYSA-N 1 1 305.382 -0.153 10 0 DBAEMO CNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105868992 374910766 /nfs/dbraw/zinc/91/07/66/374910766.db2.gz KMGMWVKTWMGGQP-LBPRGKRZSA-N 1 1 322.413 -0.228 10 0 DBAEMO CNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105868992 374910777 /nfs/dbraw/zinc/91/07/77/374910777.db2.gz KMGMWVKTWMGGQP-LBPRGKRZSA-N 1 1 322.413 -0.228 10 0 DBAEMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868992 374910781 /nfs/dbraw/zinc/91/07/81/374910781.db2.gz KMGMWVKTWMGGQP-LBPRGKRZSA-N 1 1 322.413 -0.228 10 0 DBAEMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868992 374910788 /nfs/dbraw/zinc/91/07/88/374910788.db2.gz KMGMWVKTWMGGQP-LBPRGKRZSA-N 1 1 322.413 -0.228 10 0 DBAEMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883463 374911218 /nfs/dbraw/zinc/91/12/18/374911218.db2.gz FPFAFUGLOZUTMS-GFCCVEGCSA-N 1 1 309.370 -0.331 10 0 DBAEMO Cc1cc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)nn1C ZINC000257190433 374977950 /nfs/dbraw/zinc/97/79/50/374977950.db2.gz OSALVUOACDQWQS-SWLSCSKDSA-N 1 1 322.409 -0.070 10 0 DBAEMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237502902 375016485 /nfs/dbraw/zinc/01/64/85/375016485.db2.gz LBQPCFNBEDBDIR-UONOGXRCSA-N 1 1 324.425 -0.870 10 0 DBAEMO Cc1nsc(N2CCCN(C(=O)[C@H]3COCC[NH2+]3)CC2)n1 ZINC000237717776 375031762 /nfs/dbraw/zinc/03/17/62/375031762.db2.gz QBQGQPJLMTURGZ-LLVKDONJSA-N 1 1 311.411 -0.126 10 0 DBAEMO CC(C)C(=O)N[C@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170077 375178813 /nfs/dbraw/zinc/17/88/13/375178813.db2.gz IODKCHKPOWBSLV-AWEZNQCLSA-N 1 1 310.442 -0.003 10 0 DBAEMO CC(C)[N@@H+](C)CCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000101954627 375260526 /nfs/dbraw/zinc/26/05/26/375260526.db2.gz GLNGYYYHAIXAOR-UHFFFAOYSA-N 1 1 306.370 -0.414 10 0 DBAEMO Cn1cnn(CC(=O)N2CC[NH2+]C[C@H]2c2ccncc2)c1=O ZINC000570794263 375390057 /nfs/dbraw/zinc/39/00/57/375390057.db2.gz GNWOMAYVUJTAQZ-LBPRGKRZSA-N 1 1 302.338 -0.850 10 0 DBAEMO C[C@H]1C[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)CC[N@H+]1C ZINC000332790782 375411802 /nfs/dbraw/zinc/41/18/02/375411802.db2.gz LQYLZFKQPIQLEV-ZDEQEGDKSA-N 1 1 308.386 0.000 10 0 DBAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2nccn(C)c2=O)C[C@@H]1C ZINC000183874860 375545998 /nfs/dbraw/zinc/54/59/98/375545998.db2.gz NKOCPXOFAHMNAZ-WDEREUQCSA-N 1 1 309.370 -0.301 10 0 DBAEMO CC(C)n1nnnc1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162570688 376479209 /nfs/dbraw/zinc/47/92/09/376479209.db2.gz HKSUWBGOZIDTGE-ZDUSSCGKSA-N 1 1 321.429 -0.008 10 0 DBAEMO CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000262600684 377034876 /nfs/dbraw/zinc/03/48/76/377034876.db2.gz CEVSTGWVKCTQER-QWHCGFSZSA-N 1 1 304.387 -0.764 10 0 DBAEMO CC(C)(C)OC(=O)NCC[C@@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616637950 377268353 /nfs/dbraw/zinc/26/83/53/377268353.db2.gz AVDWQFBQIITVKY-SECBINFHSA-N 1 1 308.404 -0.622 10 0 DBAEMO O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@H]1COCC[NH2+]1 ZINC000263290289 377246987 /nfs/dbraw/zinc/24/69/87/377246987.db2.gz WBNISAWQKGREBY-OCCSQVGLSA-N 1 1 315.439 -0.701 10 0 DBAEMO Cc1ccc(S(=O)(=O)NNc2nc[nH+]c(NN)c2N)cc1 ZINC000040783857 183133542 /nfs/dbraw/zinc/13/35/42/183133542.db2.gz ROBPGOKLHBSZMR-UHFFFAOYSA-N 1 1 309.355 -0.042 10 0 DBAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCCNC1=O ZINC000637958557 377679886 /nfs/dbraw/zinc/67/98/86/377679886.db2.gz UYQMYWQKWKUBAA-UONOGXRCSA-N 1 1 304.394 -0.160 10 0 DBAEMO CN1CCO[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638276894 377867723 /nfs/dbraw/zinc/86/77/23/377867723.db2.gz QNAUDPFQVFZHBC-HZPDHXFCSA-N 1 1 320.437 -0.108 10 0 DBAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000328769401 378183052 /nfs/dbraw/zinc/18/30/52/378183052.db2.gz IKNKFVQVGFODNH-RYUDHWBXSA-N 1 1 307.398 -0.175 10 0 DBAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2Cn2ccnn2)CC1 ZINC000329049616 378454998 /nfs/dbraw/zinc/45/49/98/378454998.db2.gz WBEYQRWWHFIYMK-AWEZNQCLSA-N 1 1 320.397 -0.567 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccn2c(=O)[nH]nc12 ZINC000329126798 378459984 /nfs/dbraw/zinc/45/99/84/378459984.db2.gz UNINZCBDJIXDNK-ZYHUDNBSSA-N 1 1 319.365 -0.038 10 0 DBAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC000329134086 378461931 /nfs/dbraw/zinc/46/19/31/378461931.db2.gz ZIYQAMRXZZAUQW-UPJWGTAASA-N 1 1 318.439 -0.133 10 0 DBAEMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000608479315 378431679 /nfs/dbraw/zinc/43/16/79/378431679.db2.gz QVZFCSGWZIQDCE-YOEHRIQHSA-N 1 1 317.389 -0.124 10 0 DBAEMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000608479313 378431894 /nfs/dbraw/zinc/43/18/94/378431894.db2.gz QVZFCSGWZIQDCE-RHSMWYFYSA-N 1 1 317.389 -0.124 10 0 DBAEMO CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000329561267 378491054 /nfs/dbraw/zinc/49/10/54/378491054.db2.gz RKDCZYFSZZEEHF-OLZOCXBDSA-N 1 1 322.409 -0.628 10 0 DBAEMO CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000329561265 378491653 /nfs/dbraw/zinc/49/16/53/378491653.db2.gz RKDCZYFSZZEEHF-CHWSQXEVSA-N 1 1 322.409 -0.628 10 0 DBAEMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248666502 378583507 /nfs/dbraw/zinc/58/35/07/378583507.db2.gz NEYHMNRQEWQZFP-WOPDTQHZSA-N 1 1 303.428 -0.039 10 0 DBAEMO C[C@H](C(=O)N1CCC[C@@](O)(C(N)=O)C1)[NH+]1CCSCC1 ZINC000367574782 378583701 /nfs/dbraw/zinc/58/37/01/378583701.db2.gz XELOHTFIBHDQPV-MFKMUULPSA-N 1 1 301.412 -0.738 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000248654429 378573949 /nfs/dbraw/zinc/57/39/49/378573949.db2.gz VWJDUGQTEPDFIM-FRRDWIJNSA-N 1 1 312.414 -0.296 10 0 DBAEMO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000357313632 378935506 /nfs/dbraw/zinc/93/55/06/378935506.db2.gz WPRWDDHPSCPJMN-AGIUHOORSA-N 1 1 309.366 -0.020 10 0 DBAEMO Cc1cnn(C[C@H]2C[N@@H+](CCCC(=O)NC(N)=O)CCO2)c1 ZINC000171609034 379694107 /nfs/dbraw/zinc/69/41/07/379694107.db2.gz ZOCGEIXBRQZKNV-GFCCVEGCSA-N 1 1 309.370 -0.133 10 0 DBAEMO O=C(C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)NCC(=O)N1CCCC1 ZINC000172047889 379698073 /nfs/dbraw/zinc/69/80/73/379698073.db2.gz NCSCNEXXYIRZGS-OCZCAGDBSA-N 1 1 309.410 -0.182 10 0 DBAEMO O=C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O)NCC(=O)N1CCCC1 ZINC000172047889 379698086 /nfs/dbraw/zinc/69/80/86/379698086.db2.gz NCSCNEXXYIRZGS-OCZCAGDBSA-N 1 1 309.410 -0.182 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171901248 379698218 /nfs/dbraw/zinc/69/82/18/379698218.db2.gz PBISQWSYHPAARR-NSHDSACASA-N 1 1 304.416 -0.585 10 0 DBAEMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C(N)=O)O1 ZINC000122987849 379675433 /nfs/dbraw/zinc/67/54/33/379675433.db2.gz IDYMVBWMWHNTJQ-MDZLAQPJSA-N 1 1 310.398 -0.245 10 0 DBAEMO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175110171 379713906 /nfs/dbraw/zinc/71/39/06/379713906.db2.gz BKORJALLPHCIFZ-GFCCVEGCSA-N 1 1 310.402 -0.140 10 0 DBAEMO CC(=O)NCCCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175676297 379715019 /nfs/dbraw/zinc/71/50/19/379715019.db2.gz JUPMAXKVEWSPDP-GXTWGEPZSA-N 1 1 312.414 -0.125 10 0 DBAEMO C[C@@H]1CN(C(=O)NCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000175686965 379717044 /nfs/dbraw/zinc/71/70/44/379717044.db2.gz LZWZWULYRZFLLR-CHWSQXEVSA-N 1 1 312.414 -0.173 10 0 DBAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177222377 379725068 /nfs/dbraw/zinc/72/50/68/379725068.db2.gz XPQSKJNPLSEVOY-RWMBFGLXSA-N 1 1 312.414 -0.127 10 0 DBAEMO C[C@@H]1C[N@H+](C2CCN(CC(=O)N3CCN(C)CC3)CC2)CCO1 ZINC000178984505 379736309 /nfs/dbraw/zinc/73/63/09/379736309.db2.gz OEAVMWYHJLMOMF-OAHLLOKOSA-N 1 1 324.469 -0.055 10 0 DBAEMO CN(C)c1ncc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000179156900 379738999 /nfs/dbraw/zinc/73/89/99/379738999.db2.gz ZZMHEAFASAWLLW-LBPRGKRZSA-N 1 1 318.381 -0.212 10 0 DBAEMO CCN1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000181334477 379747085 /nfs/dbraw/zinc/74/70/85/379747085.db2.gz VQABLWZIDPUACE-ZIAGYGMSSA-N 1 1 307.398 -0.386 10 0 DBAEMO CCNS(=O)(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000180925918 379747365 /nfs/dbraw/zinc/74/73/65/379747365.db2.gz VUCQLJAEJQBDDT-ZDUSSCGKSA-N 1 1 304.460 -0.057 10 0 DBAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181369471 379749405 /nfs/dbraw/zinc/74/94/05/379749405.db2.gz ZULHGWFGZPWWAB-QWHCGFSZSA-N 1 1 323.422 -0.186 10 0 DBAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000181429969 379749789 /nfs/dbraw/zinc/74/97/89/379749789.db2.gz DBQMGNVLMYMVHC-LLVKDONJSA-N 1 1 308.386 -0.077 10 0 DBAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CN2CSCC2=O)cn1 ZINC000181390360 379750036 /nfs/dbraw/zinc/75/00/36/379750036.db2.gz CEINBYJOAWHTTC-LLVKDONJSA-N 1 1 309.395 -0.574 10 0 DBAEMO COC(=O)NCC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000173278641 379703255 /nfs/dbraw/zinc/70/32/55/379703255.db2.gz NLQCVYJOUPBUKR-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO Cn1cc(S(=O)(=O)NCCN2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000173702906 379706696 /nfs/dbraw/zinc/70/66/96/379706696.db2.gz JFSFBGPRNSXWCR-GFCCVEGCSA-N 1 1 313.427 -0.522 10 0 DBAEMO CC(C)NC(=O)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185303940 379760861 /nfs/dbraw/zinc/76/08/61/379760861.db2.gz KRCJYQSDMWULQK-QWHCGFSZSA-N 1 1 314.430 -0.002 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000188049421 379768688 /nfs/dbraw/zinc/76/86/88/379768688.db2.gz HWQSMVWAQMEYFB-LLVKDONJSA-N 1 1 304.416 -0.585 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000188191848 379772112 /nfs/dbraw/zinc/77/21/12/379772112.db2.gz KRQRHDNDRLYOKJ-GHMZBOCLSA-N 1 1 304.416 -0.586 10 0 DBAEMO COCC[N@@H+](C)CCCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190282366 379786378 /nfs/dbraw/zinc/78/63/78/379786378.db2.gz YTYWPYBMRAGUJU-UHFFFAOYSA-N 1 1 312.414 -0.125 10 0 DBAEMO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112744092 379878452 /nfs/dbraw/zinc/87/84/52/379878452.db2.gz FVWCHXYRBSIRJV-LBPRGKRZSA-N 1 1 310.402 -0.140 10 0 DBAEMO C[N@@H+]1C[C@H]2CN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C[C@H]2C1 ZINC000193632835 379928047 /nfs/dbraw/zinc/92/80/47/379928047.db2.gz GWUBXKICKZZSQK-GASCZTMLSA-N 1 1 320.437 -0.439 10 0 DBAEMO CCS(=O)(=O)NCCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245520980 379936718 /nfs/dbraw/zinc/93/67/18/379936718.db2.gz TVQFSPHTRQIWQK-KBPBESRZSA-N 1 1 319.471 -0.032 10 0 DBAEMO C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1N1CCOCC1 ZINC000245716066 379943502 /nfs/dbraw/zinc/94/35/02/379943502.db2.gz GXZXWAPKFKPLNJ-GXTWGEPZSA-N 1 1 322.409 -0.764 10 0 DBAEMO CCOCC[N@H+]1CCN(CCNS(=O)(=O)CC)C[C@H]1C ZINC000246063718 380068737 /nfs/dbraw/zinc/06/87/37/380068737.db2.gz ZQBXVZYCZPJUGZ-CYBMUJFWSA-N 1 1 307.460 -0.032 10 0 DBAEMO C[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1N1CCOCC1 ZINC000246353138 380085297 /nfs/dbraw/zinc/08/52/97/380085297.db2.gz GAPGBKLKLVHDEP-LSDHHAIUSA-N 1 1 311.426 -0.112 10 0 DBAEMO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246393908 380087466 /nfs/dbraw/zinc/08/74/66/380087466.db2.gz IYOPNPKXZQWVFP-STQMWFEESA-N 1 1 312.414 -0.125 10 0 DBAEMO CCn1c(N)c(C(=O)CN2CC[N@H+]3CCC[C@H]3C2)c(=O)[nH]c1=O ZINC000253554616 380142951 /nfs/dbraw/zinc/14/29/51/380142951.db2.gz DYLFGTSYANOADM-JTQLQIEISA-N 1 1 321.381 -0.486 10 0 DBAEMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000246989033 380101691 /nfs/dbraw/zinc/10/16/91/380101691.db2.gz YKHKSXQTFNGIMU-JQWIXIFHSA-N 1 1 306.370 -0.680 10 0 DBAEMO CCOCC[N@H+]1CCN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC000247381646 380104602 /nfs/dbraw/zinc/10/46/02/380104602.db2.gz VYYZPZUZDYPFJN-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO CCOCCN1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC000247381646 380104615 /nfs/dbraw/zinc/10/46/15/380104615.db2.gz VYYZPZUZDYPFJN-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO CCOCCN1CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1C ZINC000247381646 380104622 /nfs/dbraw/zinc/10/46/22/380104622.db2.gz VYYZPZUZDYPFJN-CYBMUJFWSA-N 1 1 312.414 -0.029 10 0 DBAEMO CCS(=O)(=O)NCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247284275 380105952 /nfs/dbraw/zinc/10/59/52/380105952.db2.gz KLPDLKCWCFPNMP-NEPJUHHUSA-N 1 1 320.459 -0.046 10 0 DBAEMO C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1n1ccnc1 ZINC000247698748 380107625 /nfs/dbraw/zinc/10/76/25/380107625.db2.gz UHPLNAKEGMMEMU-QWHCGFSZSA-N 1 1 305.382 -0.276 10 0 DBAEMO C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1n1ccnc1 ZINC000247698748 380107635 /nfs/dbraw/zinc/10/76/35/380107635.db2.gz UHPLNAKEGMMEMU-QWHCGFSZSA-N 1 1 305.382 -0.276 10 0 DBAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000332989360 380673969 /nfs/dbraw/zinc/67/39/69/380673969.db2.gz CFGPLWMXTDZUGL-KBPBESRZSA-N 1 1 315.414 -0.254 10 0 DBAEMO CCC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000246183782 381578353 /nfs/dbraw/zinc/57/83/53/381578353.db2.gz HILPGZYBUYLXMY-STQMWFEESA-N 1 1 318.439 -0.131 10 0 DBAEMO CCC[N@@H+](C[C@H](O)CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000246183782 381578358 /nfs/dbraw/zinc/57/83/58/381578358.db2.gz HILPGZYBUYLXMY-STQMWFEESA-N 1 1 318.439 -0.131 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@H]1C ZINC000246580359 381590854 /nfs/dbraw/zinc/59/08/54/381590854.db2.gz ZHKWIMRDIWXCEC-MNOVXSKESA-N 1 1 309.370 -0.728 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C)C[C@H]1C ZINC000246580359 381590862 /nfs/dbraw/zinc/59/08/62/381590862.db2.gz ZHKWIMRDIWXCEC-MNOVXSKESA-N 1 1 309.370 -0.728 10 0 DBAEMO CCOCCNC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247051556 381594448 /nfs/dbraw/zinc/59/44/48/381594448.db2.gz VIWDEKKAHHGVDN-KBPBESRZSA-N 1 1 301.431 -0.084 10 0 DBAEMO O=C(CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000171899952 381888471 /nfs/dbraw/zinc/88/84/71/381888471.db2.gz DUGBYBXKKDJGDL-ZDUSSCGKSA-N 1 1 310.398 -0.275 10 0 DBAEMO Cc1c(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)cnn1C ZINC000404168276 382405373 /nfs/dbraw/zinc/40/53/73/382405373.db2.gz UMFFOWSTJKDPOC-GHMZBOCLSA-N 1 1 300.384 -0.520 10 0 DBAEMO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404134815 382405513 /nfs/dbraw/zinc/40/55/13/382405513.db2.gz WOMBOQIIIPJWNU-VHSXEESVSA-N 1 1 320.802 -0.175 10 0 DBAEMO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)NCCOC)CCOCC1 ZINC000096113121 382606543 /nfs/dbraw/zinc/60/65/43/382606543.db2.gz FGHJOYFOSUFNMF-LBPRGKRZSA-N 1 1 313.398 -0.491 10 0 DBAEMO CNC(=O)C1([N@H+]2CCC[C@H]2C(=O)NCCOC)CCOCC1 ZINC000096113121 382606546 /nfs/dbraw/zinc/60/65/46/382606546.db2.gz FGHJOYFOSUFNMF-LBPRGKRZSA-N 1 1 313.398 -0.491 10 0 DBAEMO C[N@@H+](CC1CC1)C[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 ZINC000328629033 382583506 /nfs/dbraw/zinc/58/35/06/382583506.db2.gz HUSUUIVGAHRXNQ-LBPRGKRZSA-N 1 1 304.412 -0.400 10 0 DBAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000246581369 382695606 /nfs/dbraw/zinc/69/56/06/382695606.db2.gz ABLMNKJBKNVDFD-AVGNSLFASA-N 1 1 312.414 -0.309 10 0 DBAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1C ZINC000246581369 382695608 /nfs/dbraw/zinc/69/56/08/382695608.db2.gz ABLMNKJBKNVDFD-AVGNSLFASA-N 1 1 312.414 -0.309 10 0 DBAEMO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cnn1C ZINC000176661610 391935037 /nfs/dbraw/zinc/93/50/37/391935037.db2.gz DFAXXMFDTUXCDL-WDEREUQCSA-N 1 1 323.397 -0.419 10 0 DBAEMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cnn1C ZINC000176661610 391935041 /nfs/dbraw/zinc/93/50/41/391935041.db2.gz DFAXXMFDTUXCDL-WDEREUQCSA-N 1 1 323.397 -0.419 10 0 DBAEMO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cnn1C ZINC000176661595 391935314 /nfs/dbraw/zinc/93/53/14/391935314.db2.gz DFAXXMFDTUXCDL-GHMZBOCLSA-N 1 1 323.397 -0.419 10 0 DBAEMO Cc1c(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cnn1C ZINC000176661595 391935323 /nfs/dbraw/zinc/93/53/23/391935323.db2.gz DFAXXMFDTUXCDL-GHMZBOCLSA-N 1 1 323.397 -0.419 10 0 DBAEMO COCCC[N@@H+](C)CCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000175008838 391930632 /nfs/dbraw/zinc/93/06/32/391930632.db2.gz XHZFIAYURXOAKH-AWEZNQCLSA-N 1 1 316.446 -0.025 10 0 DBAEMO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000370788658 391966703 /nfs/dbraw/zinc/96/67/03/391966703.db2.gz SUZUQCODISMDEJ-NWDGAFQWSA-N 1 1 319.427 -0.754 10 0 DBAEMO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000370788658 391966713 /nfs/dbraw/zinc/96/67/13/391966713.db2.gz SUZUQCODISMDEJ-NWDGAFQWSA-N 1 1 319.427 -0.754 10 0 DBAEMO C[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@H]1O ZINC000351828574 392128149 /nfs/dbraw/zinc/12/81/49/392128149.db2.gz OJKJDNPRHYYROA-UHIISALHSA-N 1 1 304.346 -0.044 10 0 DBAEMO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H]1C(N)=O ZINC000286295957 392361348 /nfs/dbraw/zinc/36/13/48/392361348.db2.gz UFMQNPPQTMRDTE-RAIGVLPGSA-N 1 1 305.382 -0.031 10 0 DBAEMO Cn1cc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000285036524 131132263 /nfs/dbraw/zinc/13/22/63/131132263.db2.gz NAUIOZAXFGOAGM-RYUDHWBXSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cn1cc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000285036524 131132265 /nfs/dbraw/zinc/13/22/65/131132265.db2.gz NAUIOZAXFGOAGM-RYUDHWBXSA-N 1 1 300.384 -0.486 10 0 DBAEMO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286103352 131219672 /nfs/dbraw/zinc/21/96/72/131219672.db2.gz ILIJLDHHRFXHPP-KRWDZBQOSA-N 1 1 319.405 -0.034 10 0 DBAEMO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286103352 131219674 /nfs/dbraw/zinc/21/96/74/131219674.db2.gz ILIJLDHHRFXHPP-KRWDZBQOSA-N 1 1 319.405 -0.034 10 0 DBAEMO CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC000286287142 131228074 /nfs/dbraw/zinc/22/80/74/131228074.db2.gz HINODLFVKVSACF-RDBSUJKOSA-N 1 1 319.409 -0.198 10 0 DBAEMO Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)cn1 ZINC000286346983 131232145 /nfs/dbraw/zinc/23/21/45/131232145.db2.gz XJKHAWOEZRXYRX-SWLSCSKDSA-N 1 1 321.381 -0.772 10 0 DBAEMO Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)cn1 ZINC000286346983 131232146 /nfs/dbraw/zinc/23/21/46/131232146.db2.gz XJKHAWOEZRXYRX-SWLSCSKDSA-N 1 1 321.381 -0.772 10 0 DBAEMO CCOCCNC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000175960229 392634174 /nfs/dbraw/zinc/63/41/74/392634174.db2.gz VIWDEKKAHHGVDN-KGLIPLIRSA-N 1 1 301.431 -0.084 10 0 DBAEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@]2(C)CCCNC2=O)CC1 ZINC000408370435 392844872 /nfs/dbraw/zinc/84/48/72/392844872.db2.gz KWAVWVIKQAQXGU-INIZCTEOSA-N 1 1 324.425 -0.475 10 0 DBAEMO CNS(=O)(=O)CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000187640021 392973756 /nfs/dbraw/zinc/97/37/56/392973756.db2.gz FUXRFQSSGBEKQF-QWRGUYRKSA-N 1 1 306.432 -0.437 10 0 DBAEMO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000352020375 393341394 /nfs/dbraw/zinc/34/13/94/393341394.db2.gz HVKRGSRDHHJCPI-IJLUTSLNSA-N 1 1 320.345 -0.929 10 0 DBAEMO Cc1nnc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C ZINC000123611896 393503183 /nfs/dbraw/zinc/50/31/83/393503183.db2.gz YPCLLGOFIIRGNX-ZDUSSCGKSA-N 1 1 306.414 -0.138 10 0 DBAEMO CCS(=O)(=O)NCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246364286 393593188 /nfs/dbraw/zinc/59/31/88/393593188.db2.gz GXIIXPGQRVSITH-STQMWFEESA-N 1 1 305.444 -0.422 10 0 DBAEMO CCS(=O)(=O)NCCN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246364286 393593195 /nfs/dbraw/zinc/59/31/95/393593195.db2.gz GXIIXPGQRVSITH-STQMWFEESA-N 1 1 305.444 -0.422 10 0 DBAEMO C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)C[N@H+]1C1CC1 ZINC000123430631 411884274 /nfs/dbraw/zinc/88/42/74/411884274.db2.gz STTQVQFWYKMEHU-WGBDABJCSA-N 1 1 310.398 -0.104 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)[N@H+](C)C1 ZINC000328967874 544456535 /nfs/dbraw/zinc/45/65/35/544456535.db2.gz TYOXXXGKVRPKEH-RWMBFGLXSA-N 1 1 323.397 -0.088 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)[N@@H+](C)C1 ZINC000328967874 544456540 /nfs/dbraw/zinc/45/65/40/544456540.db2.gz TYOXXXGKVRPKEH-RWMBFGLXSA-N 1 1 323.397 -0.088 10 0 DBAEMO CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1 ZINC000328824700 544453324 /nfs/dbraw/zinc/45/33/24/544453324.db2.gz PTZICQYJTXJIBO-ZNMIVQPWSA-N 1 1 311.426 -0.378 10 0 DBAEMO CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 ZINC000328824696 544453342 /nfs/dbraw/zinc/45/33/42/544453342.db2.gz PTZICQYJTXJIBO-RBSFLKMASA-N 1 1 311.426 -0.378 10 0 DBAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)[N@@H+](C)C1 ZINC000328934265 544455625 /nfs/dbraw/zinc/45/56/25/544455625.db2.gz CBVABMFVKDPBET-SRVKXCTJSA-N 1 1 309.370 -0.268 10 0 DBAEMO C[C@H]1CN(C(=O)Cn2cccnc2=O)C[C@H]1[NH+]1CCOCC1 ZINC000329754732 544487569 /nfs/dbraw/zinc/48/75/69/544487569.db2.gz XNYGPNPCQWSLSR-QWHCGFSZSA-N 1 1 306.366 -0.578 10 0 DBAEMO C[C@@H]1CN(C(=O)Cn2cccnc2=O)C[C@H]1[NH+]1CCOCC1 ZINC000329754730 544487943 /nfs/dbraw/zinc/48/79/43/544487943.db2.gz XNYGPNPCQWSLSR-CHWSQXEVSA-N 1 1 306.366 -0.578 10 0 DBAEMO COCC[N@@H+]1CCN(C(=O)NC[C@H]2COCCO2)C[C@@H]1C ZINC000332885171 544548885 /nfs/dbraw/zinc/54/88/85/544548885.db2.gz JAUBOJJYQPARGW-STQMWFEESA-N 1 1 301.387 -0.236 10 0 DBAEMO COCC[N@H+]1CCN(C(=O)NC[C@H]2COCCO2)C[C@@H]1C ZINC000332885171 544548888 /nfs/dbraw/zinc/54/88/88/544548888.db2.gz JAUBOJJYQPARGW-STQMWFEESA-N 1 1 301.387 -0.236 10 0 DBAEMO CC[C@@H]1CN(C(=O)Cc2cnnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000669317920 544551326 /nfs/dbraw/zinc/55/13/26/544551326.db2.gz AOKIDOMCPLKBPA-TZMCWYRMSA-N 1 1 307.398 -0.073 10 0 DBAEMO C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000088358405 544584045 /nfs/dbraw/zinc/58/40/45/544584045.db2.gz NMWSDDDKQLTEGQ-CABZTGNLSA-N 1 1 313.379 -0.500 10 0 DBAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000104919961 545038134 /nfs/dbraw/zinc/03/81/34/545038134.db2.gz CRODRJTXPYVRBD-QWHCGFSZSA-N 1 1 317.455 -0.485 10 0 DBAEMO CCCOCCCCCC[N@H+]1C[C@H](O)[C@H](O)[C@@H](O)[C@H]1CO ZINC000306146804 276018926 /nfs/dbraw/zinc/01/89/26/276018926.db2.gz OLYHECNPMKMYII-QPSCCSFWSA-N 1 1 305.415 -0.267 10 0 DBAEMO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000357313638 277019173 /nfs/dbraw/zinc/01/91/73/277019173.db2.gz WPRWDDHPSCPJMN-UPJWGTAASA-N 1 1 309.366 -0.020 10 0 DBAEMO CC(=O)NCCNC(=O)CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113444649 278114100 /nfs/dbraw/zinc/11/41/00/278114100.db2.gz QWCWDXVXLMQNCR-TZMCWYRMSA-N 1 1 324.425 -0.286 10 0 DBAEMO C[C@@](O)(CNC(=O)[C@@]1(C)CCCNC1=O)C[NH+]1CCOCC1 ZINC000333035540 278116606 /nfs/dbraw/zinc/11/66/06/278116606.db2.gz URXIZMCABNYDLN-CABCVRRESA-N 1 1 313.398 -0.898 10 0 DBAEMO CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000120641528 278162773 /nfs/dbraw/zinc/16/27/73/278162773.db2.gz MHNIYBTUPSRYIK-YPMHNXCESA-N 1 1 310.398 -0.724 10 0 DBAEMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000408160843 288146919 /nfs/dbraw/zinc/14/69/19/288146919.db2.gz KKPLCPKJDBYEGF-IJLUTSLNSA-N 1 1 313.398 -0.677 10 0 DBAEMO CC[C@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)CC[N@H+]1CCOC ZINC000163823800 281137970 /nfs/dbraw/zinc/13/79/70/281137970.db2.gz CPGOGVXZPBOOGO-QWHCGFSZSA-N 1 1 312.414 -0.031 10 0 DBAEMO CN(C(=O)N1CCO[C@H](C[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000408018430 289198162 /nfs/dbraw/zinc/19/81/62/289198162.db2.gz RPMFBERGIGTHQB-VXGBXAGGSA-N 1 1 319.427 -0.512 10 0 DBAEMO C[NH+](C)C[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CCO1 ZINC000152979684 289214814 /nfs/dbraw/zinc/21/48/14/289214814.db2.gz LOZQHZSBPGUQST-NSHDSACASA-N 1 1 306.428 -0.011 10 0 DBAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 ZINC000408062881 290165470 /nfs/dbraw/zinc/16/54/70/290165470.db2.gz OWZFVBLQCCCPPT-QWRGUYRKSA-N 1 1 319.427 -0.754 10 0 DBAEMO Cc1onc(N)c1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000290000241 294062595 /nfs/dbraw/zinc/06/25/95/294062595.db2.gz WPXNQHVXUVMTTA-NXEZZACHSA-N 1 1 316.383 -0.341 10 0 DBAEMO Cc1onc(N)c1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000290000241 294062596 /nfs/dbraw/zinc/06/25/96/294062596.db2.gz WPXNQHVXUVMTTA-NXEZZACHSA-N 1 1 316.383 -0.341 10 0 DBAEMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408048960 298028500 /nfs/dbraw/zinc/02/85/00/298028500.db2.gz SMTJEBNTFXYUQL-DDHJBXDOSA-N 1 1 310.398 -0.848 10 0 DBAEMO CN(CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1)S(C)(=O)=O ZINC000576389402 341843777 /nfs/dbraw/zinc/84/37/77/341843777.db2.gz OPADAAGGYKFGDO-LBPRGKRZSA-N 1 1 312.395 -0.554 10 0 DBAEMO CC[N@H+](C[C@@H](O)CN1CCCC1=O)[C@@H](C)CS(C)(=O)=O ZINC000112732204 521217339 /nfs/dbraw/zinc/21/73/39/521217339.db2.gz LOFBAEQZUHXFAK-NWDGAFQWSA-N 1 1 306.428 -0.275 10 0 DBAEMO CC[N@@H+](C[C@@H](O)CN1CCCC1=O)[C@@H](C)CS(C)(=O)=O ZINC000112732204 521217351 /nfs/dbraw/zinc/21/73/51/521217351.db2.gz LOFBAEQZUHXFAK-NWDGAFQWSA-N 1 1 306.428 -0.275 10 0 DBAEMO CCO[C@@H]1COC[C@H]1NC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000334082966 520333840 /nfs/dbraw/zinc/33/38/40/520333840.db2.gz LCIWGXAXOKRNPN-JHJVBQTASA-N 1 1 301.387 -0.502 10 0 DBAEMO C[N@@H+](CCC(=O)NC(N)=O)C1CCN(CCn2cccn2)CC1 ZINC000105903296 522677412 /nfs/dbraw/zinc/67/74/12/522677412.db2.gz NVYBKGCSMKYLSO-UHFFFAOYSA-N 1 1 322.413 -0.136 10 0 DBAEMO CN(C[C@@H]1C[N@@H+](CC2(O)CCC2)CCO1)c1nccn(C)c1=O ZINC000333070407 523081239 /nfs/dbraw/zinc/08/12/39/523081239.db2.gz UXCDXUHLWPJPQQ-CYBMUJFWSA-N 1 1 322.409 -0.168 10 0 DBAEMO CC[C@H]1CN(C(=O)NCCNC(C)=O)CC[N@H+]1CCOC ZINC000117469852 523234278 /nfs/dbraw/zinc/23/42/78/523234278.db2.gz XCPVOPVMGMBCQA-ZDUSSCGKSA-N 1 1 300.403 -0.125 10 0 DBAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000175019973 523315101 /nfs/dbraw/zinc/31/51/01/523315101.db2.gz KDLWUIDWTPOMQB-NWDGAFQWSA-N 1 1 306.366 -0.378 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+]1CCOC ZINC000157175807 523377822 /nfs/dbraw/zinc/37/78/22/523377822.db2.gz FJMMELGCZHLWTJ-CYBMUJFWSA-N 1 1 323.397 -0.072 10 0 DBAEMO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+]1CCOC ZINC000157175807 523377828 /nfs/dbraw/zinc/37/78/28/523377828.db2.gz FJMMELGCZHLWTJ-CYBMUJFWSA-N 1 1 323.397 -0.072 10 0 DBAEMO COCC[N@H+]1CCN(Cc2nc(N)nc(N(C)C)n2)C[C@H]1C ZINC000106108655 523856902 /nfs/dbraw/zinc/85/69/02/523856902.db2.gz BSRGIDATCLJDEH-LLVKDONJSA-N 1 1 309.418 -0.328 10 0 DBAEMO C[NH+]1CCN(C(=O)CCNC(=O)c2cnn3ccncc23)CC1 ZINC000333442002 523870702 /nfs/dbraw/zinc/87/07/02/523870702.db2.gz LYKSQJFASPXTOW-UHFFFAOYSA-N 1 1 316.365 -0.377 10 0 DBAEMO CN(C(=O)[C@H]1COCC[NH2+]1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246231972 523910747 /nfs/dbraw/zinc/91/07/47/523910747.db2.gz HXPQPQNGTFCEEH-CHWSQXEVSA-N 1 1 305.382 -0.108 10 0 DBAEMO C[C@H]1CN(c2ccc(CNC(=O)[C@H]3COCC[NH2+]3)cn2)CCO1 ZINC000246296998 524667569 /nfs/dbraw/zinc/66/75/69/524667569.db2.gz NSWYCCMSHUFHJP-GXTWGEPZSA-N 1 1 320.393 -0.089 10 0 DBAEMO C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333591924 525048123 /nfs/dbraw/zinc/04/81/23/525048123.db2.gz OOOQRAXJKOBNKY-FRRDWIJNSA-N 1 1 310.398 -0.230 10 0 DBAEMO C[C@@H]1CNCCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000333667154 525091553 /nfs/dbraw/zinc/09/15/53/525091553.db2.gz MLLZXVURZAKXFA-MNOVXSKESA-N 1 1 323.363 -0.174 10 0 DBAEMO Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000183112592 526134108 /nfs/dbraw/zinc/13/41/08/526134108.db2.gz ZWFFYRDTTSRFOK-GFCCVEGCSA-N 1 1 318.377 -0.061 10 0 DBAEMO O=C(NCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccn[nH]1 ZINC000181872639 526326373 /nfs/dbraw/zinc/32/63/73/526326373.db2.gz ARLABGWQOHEGMU-NSHDSACASA-N 1 1 306.370 -0.371 10 0 DBAEMO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000245396462 526875713 /nfs/dbraw/zinc/87/57/13/526875713.db2.gz LILCKDSIHFJQGT-QWHCGFSZSA-N 1 1 324.425 -0.312 10 0 DBAEMO Cn1cc([C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)cn1 ZINC000127873037 527311132 /nfs/dbraw/zinc/31/11/32/527311132.db2.gz QVQJHXVUDJXRKR-DZGCQCFKSA-N 1 1 308.382 -0.175 10 0 DBAEMO Cn1cc([C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)cn1 ZINC000127873037 527311133 /nfs/dbraw/zinc/31/11/33/527311133.db2.gz QVQJHXVUDJXRKR-DZGCQCFKSA-N 1 1 308.382 -0.175 10 0 DBAEMO CNC(=O)NC(=O)CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000408081722 536322357 /nfs/dbraw/zinc/32/23/57/536322357.db2.gz OADNCSCFRLCEPR-GFCCVEGCSA-N 1 1 311.430 -0.458 10 0 DBAEMO CNC(=O)NC(=O)CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000408081722 536322359 /nfs/dbraw/zinc/32/23/59/536322359.db2.gz OADNCSCFRLCEPR-GFCCVEGCSA-N 1 1 311.430 -0.458 10 0 DBAEMO CNC(=O)[C@@H]1CC(=O)N(C2CN(c3[nH+]cnc4[nH]ccc43)C2)C1 ZINC000888098570 665859166 /nfs/dbraw/zinc/85/91/66/665859166.db2.gz ILGJYBAKIXEKME-SECBINFHSA-N 1 1 314.349 -0.259 10 0 DBAEMO CC(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913183905 674793175 /nfs/dbraw/zinc/79/31/75/674793175.db2.gz LOIHKUCPODSTJO-KCQAQPDRSA-N 1 1 300.399 -0.095 10 0 DBAEMO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCS(C)(=O)=O ZINC000175399388 677511068 /nfs/dbraw/zinc/51/10/68/677511068.db2.gz IJUATORMGUKGSQ-LLVKDONJSA-N 1 1 312.457 -0.223 10 0 DBAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCS(C)(=O)=O ZINC000175399388 677511070 /nfs/dbraw/zinc/51/10/70/677511070.db2.gz IJUATORMGUKGSQ-LLVKDONJSA-N 1 1 312.457 -0.223 10 0 DBAEMO