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](CNS(=O)(=O)CCC(C)(C)C)C[NH+]1CCOCC1 ZINC000160380960 290770939 /nfs/dbraw/zinc/77/09/39/290770939.db2.gz RGYVNEVJIRQGSX-ZDUSSCGKSA-N 1 2 306.472 1.310 20 70 DDIDLO COc1ccc(C[NH+]2CCN(Cc3nncn3C)CC2)cc1F ZINC000160704926 290775892 /nfs/dbraw/zinc/77/58/92/290775892.db2.gz HOUJTPLRKGGHSW-UHFFFAOYSA-N 1 2 319.384 1.281 20 70 DDIDLO C[C@@]1(O)CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000160261466 197396746 /nfs/dbraw/zinc/39/67/46/197396746.db2.gz VYLGSSYOFKHMFD-MRXNPFEDSA-N 1 2 315.377 1.324 20 70 DDIDLO CCC(=O)N1CC[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000159494569 197357602 /nfs/dbraw/zinc/35/76/02/197357602.db2.gz GXTVCCKFZKEUSP-SNVBAGLBSA-N 1 2 322.434 1.328 20 70 DDIDLO CCC(=O)N1CC[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000159494569 197357604 /nfs/dbraw/zinc/35/76/04/197357604.db2.gz GXTVCCKFZKEUSP-SNVBAGLBSA-N 1 2 322.434 1.328 20 70 DDIDLO CC(C)OCCS(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159365792 197347968 /nfs/dbraw/zinc/34/79/68/197347968.db2.gz CLBIHAGBOKMRMJ-ZDUSSCGKSA-N 1 2 313.423 1.005 20 70 DDIDLO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000159481539 408411023 /nfs/dbraw/zinc/41/10/23/408411023.db2.gz ZSHXIXAHTKNIQE-CZUORRHYSA-N 1 2 305.397 1.735 20 70 DDIDLO C[C@H](c1cccc(F)c1)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000159481539 408411027 /nfs/dbraw/zinc/41/10/27/408411027.db2.gz ZSHXIXAHTKNIQE-CZUORRHYSA-N 1 2 305.397 1.735 20 70 DDIDLO COc1ccc(C(C)(C)C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000159717293 408428662 /nfs/dbraw/zinc/42/86/62/408428662.db2.gz VXSPBHLSLLOVNA-CVEARBPZSA-N 1 2 318.417 1.514 20 70 DDIDLO COc1ccc(C(C)(C)C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000159717293 408428664 /nfs/dbraw/zinc/42/86/64/408428664.db2.gz VXSPBHLSLLOVNA-CVEARBPZSA-N 1 2 318.417 1.514 20 70 DDIDLO Cc1cccc(C)c1CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000160602139 408503314 /nfs/dbraw/zinc/50/33/14/408503314.db2.gz PDRMUTQWZCITIJ-INIZCTEOSA-N 1 2 319.449 1.866 20 70 DDIDLO CS[C@H](C)CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000160869556 408531690 /nfs/dbraw/zinc/53/16/90/408531690.db2.gz IXKDSRXBHQQDRR-TZMCWYRMSA-N 1 2 318.508 1.452 20 70 DDIDLO O=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)Nc1ccc(F)cc1 ZINC000161040702 408553622 /nfs/dbraw/zinc/55/36/22/408553622.db2.gz SUAGHZRWHDYGJS-NSHDSACASA-N 1 2 316.336 1.340 20 70 DDIDLO CN(CC1CCOCC1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000161295525 408584697 /nfs/dbraw/zinc/58/46/97/408584697.db2.gz AGINEAREEZVMMN-CQSZACIVSA-N 1 2 306.410 1.301 20 70 DDIDLO CN(CC1CCOCC1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000161295525 408584701 /nfs/dbraw/zinc/58/47/01/408584701.db2.gz AGINEAREEZVMMN-CQSZACIVSA-N 1 2 306.410 1.301 20 70 DDIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000160976181 408543702 /nfs/dbraw/zinc/54/37/02/408543702.db2.gz IVCNRRLUPZYPBR-INIZCTEOSA-N 1 2 314.389 1.386 20 70 DDIDLO Cc1cc(S(=O)(=O)F)cnc1N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001164631204 719256401 /nfs/dbraw/zinc/25/64/01/719256401.db2.gz CFDCAUJDJJRXAN-WDEREUQCSA-N 1 2 301.387 1.577 20 70 DDIDLO Cc1cc(S(=O)(=O)F)cnc1N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001164631204 719256402 /nfs/dbraw/zinc/25/64/02/719256402.db2.gz CFDCAUJDJJRXAN-WDEREUQCSA-N 1 2 301.387 1.577 20 70 DDIDLO CC(C)CC(=O)NCCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000159717588 186137428 /nfs/dbraw/zinc/13/74/28/186137428.db2.gz NZHFJMPKCGCDIQ-UHFFFAOYSA-N 1 2 319.449 1.917 20 70 DDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N1CCC(C)CC1 ZINC000159765360 408433920 /nfs/dbraw/zinc/43/39/20/408433920.db2.gz PGDSTPLDYLHWIO-CQSZACIVSA-N 1 2 300.468 1.699 20 70 DDIDLO Cc1c(C(=O)N(C)CC[NH+]2CCOCC2)cnn1CC(C)C ZINC000160515281 408492323 /nfs/dbraw/zinc/49/23/23/408492323.db2.gz LLDOQBQHXVFBOB-UHFFFAOYSA-N 1 2 308.426 1.252 20 70 DDIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000160598900 408503233 /nfs/dbraw/zinc/50/32/33/408503233.db2.gz YWDPNTZHBZSEPZ-UHFFFAOYSA-N 1 2 313.405 1.457 20 70 DDIDLO CCCOc1cccc(CC(=O)NCC[NH+]2CCOCC2)c1 ZINC000160747497 408520342 /nfs/dbraw/zinc/52/03/42/408520342.db2.gz KSXYSPPVDRVNNX-UHFFFAOYSA-N 1 2 306.406 1.466 20 70 DDIDLO CC[C@@H](O)CN(Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000161089242 408559973 /nfs/dbraw/zinc/55/99/73/408559973.db2.gz OOQUCZNWDAIVJT-MRXNPFEDSA-N 1 2 316.405 1.866 20 70 DDIDLO CC1(O)CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000161211921 408573228 /nfs/dbraw/zinc/57/32/28/408573228.db2.gz VFBMRVVSXCXREN-UHFFFAOYSA-N 1 2 307.781 1.923 20 70 DDIDLO CC[C@@](C)(O)CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000160698845 287393623 /nfs/dbraw/zinc/39/36/23/287393623.db2.gz KXCXMUOTGJPUJD-CYBMUJFWSA-N 1 2 312.376 1.734 20 70 DDIDLO Cn1ncc2c1nc[nH+]c2N[C@@H](CC(N)=O)C1CCCCC1 ZINC000161410368 279416122 /nfs/dbraw/zinc/41/61/22/279416122.db2.gz SMJZOXIXEQSBJC-LBPRGKRZSA-N 1 2 302.382 1.600 20 70 DDIDLO CN(C)c1[nH+]cccc1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000160411416 522372477 /nfs/dbraw/zinc/37/24/77/522372477.db2.gz ZDZKYTPXIFSCQF-UHFFFAOYSA-N 1 2 322.372 1.863 20 70 DDIDLO Cc1cccc(-n2cc(C(=O)N3CC[NH+](C4CC4)CC3)nn2)c1 ZINC000161429569 354242571 /nfs/dbraw/zinc/24/25/71/354242571.db2.gz FOYVUCTYQLKCJX-UHFFFAOYSA-N 1 2 311.389 1.496 20 70 DDIDLO CCOCCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159391433 197350266 /nfs/dbraw/zinc/35/02/66/197350266.db2.gz HTTLROVISMPNPW-UHFFFAOYSA-N 1 2 320.437 1.726 20 70 DDIDLO COC(=O)Cn1cc(CCSc2[nH+]cc3ccccn32)nn1 ZINC000159371334 197348474 /nfs/dbraw/zinc/34/84/74/197348474.db2.gz OOPRCPZFSJQHPE-UHFFFAOYSA-N 1 2 317.374 1.434 20 70 DDIDLO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2nc(=O)[nH][nH]2)CC1 ZINC000160152728 408459150 /nfs/dbraw/zinc/45/91/50/408459150.db2.gz VTHNKJUDVKBRMW-LBPRGKRZSA-N 1 2 321.425 1.215 20 70 DDIDLO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2nc(=O)[nH][nH]2)CC1 ZINC000160152728 408459156 /nfs/dbraw/zinc/45/91/56/408459156.db2.gz VTHNKJUDVKBRMW-LBPRGKRZSA-N 1 2 321.425 1.215 20 70 DDIDLO CCc1nnc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)[nH]1 ZINC000159411953 408404659 /nfs/dbraw/zinc/40/46/59/408404659.db2.gz CDAQVKLRJVDDLG-AWEZNQCLSA-N 1 2 304.398 1.046 20 70 DDIDLO O=C(Nc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159667785 408425817 /nfs/dbraw/zinc/42/58/17/408425817.db2.gz JWHBXICETHONSX-GFCCVEGCSA-N 1 2 310.357 1.969 20 70 DDIDLO O=C(Nc1ccc2c(c1)CCC(=O)N2)[C@H]1CCn2cc[nH+]c2C1 ZINC000159667919 408425853 /nfs/dbraw/zinc/42/58/53/408425853.db2.gz JWHBXICETHONSX-LBPRGKRZSA-N 1 2 310.357 1.969 20 70 DDIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)NC(C)(C)C ZINC000159821516 408435714 /nfs/dbraw/zinc/43/57/14/408435714.db2.gz YWPOJPNKZPJEEG-CYBMUJFWSA-N 1 2 302.484 1.991 20 70 DDIDLO COCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160389700 408478882 /nfs/dbraw/zinc/47/88/82/408478882.db2.gz MKMQAGIXWQUSRI-INIZCTEOSA-N 1 2 320.433 1.676 20 70 DDIDLO COCC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160389700 408478887 /nfs/dbraw/zinc/47/88/87/408478887.db2.gz MKMQAGIXWQUSRI-INIZCTEOSA-N 1 2 320.433 1.676 20 70 DDIDLO COCC[N@H+](CC(=O)N(C)C)Cc1c(C)nc2ccccn21 ZINC000160427749 408481196 /nfs/dbraw/zinc/48/11/96/408481196.db2.gz GJYCAJPFCWGBOE-UHFFFAOYSA-N 1 2 304.394 1.179 20 70 DDIDLO COCC[N@@H+](CC(=O)N(C)C)Cc1c(C)nc2ccccn21 ZINC000160427749 408481201 /nfs/dbraw/zinc/48/12/01/408481201.db2.gz GJYCAJPFCWGBOE-UHFFFAOYSA-N 1 2 304.394 1.179 20 70 DDIDLO Cn1cnnc1C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000160863839 408531107 /nfs/dbraw/zinc/53/11/07/408531107.db2.gz UOVRJBLEJJZKTK-LBPRGKRZSA-N 1 2 309.414 1.694 20 70 DDIDLO Cn1cnnc1C[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000160863839 408531112 /nfs/dbraw/zinc/53/11/12/408531112.db2.gz UOVRJBLEJJZKTK-LBPRGKRZSA-N 1 2 309.414 1.694 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](CCO)C3CC3)c2c1 ZINC000160564076 408497379 /nfs/dbraw/zinc/49/73/79/408497379.db2.gz WPNSQFGIQTUVOS-UHFFFAOYSA-N 1 2 316.357 1.594 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](CCO)C3CC3)c2c1 ZINC000160564076 408497383 /nfs/dbraw/zinc/49/73/83/408497383.db2.gz WPNSQFGIQTUVOS-UHFFFAOYSA-N 1 2 316.357 1.594 20 70 DDIDLO CO[C@@H]1CCC[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160739466 408520476 /nfs/dbraw/zinc/52/04/76/408520476.db2.gz AMHDHXYIXNIREF-UONOGXRCSA-N 1 2 306.410 1.629 20 70 DDIDLO CCn1nc(C)c(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1C ZINC000160990545 408548137 /nfs/dbraw/zinc/54/81/37/408548137.db2.gz KDPLLVXPSRPSCP-MRXNPFEDSA-N 1 2 320.437 1.343 20 70 DDIDLO C[C@]1(O)CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000160452646 162149628 /nfs/dbraw/zinc/14/96/28/162149628.db2.gz SGJAELCYMAUSPQ-INIZCTEOSA-N 1 2 306.410 1.318 20 70 DDIDLO CS(=O)(=O)NCC[C@@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000160407287 408479287 /nfs/dbraw/zinc/47/92/87/408479287.db2.gz LPPGKPSAWHRCHF-ZDUSSCGKSA-N 1 2 324.450 1.652 20 70 DDIDLO C[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)[NH+]1CCSCC1 ZINC000160523213 408491103 /nfs/dbraw/zinc/49/11/03/408491103.db2.gz ITBXNWGIMURYHI-LLVKDONJSA-N 1 2 308.403 1.815 20 70 DDIDLO C[C@@H](C[NH+]1CCCCC1)NC(=O)CS(=O)(=O)C(C)(C)C ZINC000160266644 408468547 /nfs/dbraw/zinc/46/85/47/408468547.db2.gz MBCWBUMGMRWKAN-LBPRGKRZSA-N 1 2 304.456 1.190 20 70 DDIDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)[nH]1 ZINC000160404822 408478443 /nfs/dbraw/zinc/47/84/43/408478443.db2.gz VRHFPTLCYADQGU-JTQLQIEISA-N 1 2 323.422 1.126 20 70 DDIDLO C[C@]1(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCOC1 ZINC000161435266 408602059 /nfs/dbraw/zinc/60/20/59/408602059.db2.gz HVONRLOKMVSODD-KRWDZBQOSA-N 1 2 319.405 1.819 20 70 DDIDLO CC(C)(C)C[C@@H](CO)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000161434095 408603056 /nfs/dbraw/zinc/60/30/56/408603056.db2.gz NTAANKZLMZLWCI-KBPBESRZSA-N 1 2 322.453 1.894 20 70 DDIDLO CC(C)(C)C[C@@H](CO)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000161434095 408603061 /nfs/dbraw/zinc/60/30/61/408603061.db2.gz NTAANKZLMZLWCI-KBPBESRZSA-N 1 2 322.453 1.894 20 70 DDIDLO Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000161453116 408604750 /nfs/dbraw/zinc/60/47/50/408604750.db2.gz CHZQUAMJUBQKAQ-HUUCEWRRSA-N 1 2 313.405 1.814 20 70 DDIDLO COC1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000159398278 539218651 /nfs/dbraw/zinc/21/86/51/539218651.db2.gz MZINTVRLTBNBMP-UHFFFAOYSA-N 1 2 315.373 1.798 20 70 DDIDLO CC(C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000160302014 197399237 /nfs/dbraw/zinc/39/92/37/197399237.db2.gz CLNATAAZNCNTET-SJORKVTESA-N 1 2 317.433 1.937 20 70 DDIDLO CC(C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000160302014 197399240 /nfs/dbraw/zinc/39/92/40/197399240.db2.gz CLNATAAZNCNTET-SJORKVTESA-N 1 2 317.433 1.937 20 70 DDIDLO Cc1cccn2cc(CNC(=O)c3cnc4c(c3)ncn4C)[nH+]c12 ZINC000159817191 408436491 /nfs/dbraw/zinc/43/64/91/408436491.db2.gz BAAPTODCJRANRX-UHFFFAOYSA-N 1 2 320.356 1.854 20 70 DDIDLO Cc1c(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cnn1C ZINC000160539623 408494920 /nfs/dbraw/zinc/49/49/20/408494920.db2.gz YQZWXAZXXCHJQD-UHFFFAOYSA-N 1 2 324.388 1.914 20 70 DDIDLO CCOC(=O)c1ccc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)o1 ZINC000160582117 408500927 /nfs/dbraw/zinc/50/09/27/408500927.db2.gz PVNALANSCUHYRE-NSHDSACASA-N 1 2 315.391 1.465 20 70 DDIDLO CCOC(=O)c1ccc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)o1 ZINC000160582117 408500929 /nfs/dbraw/zinc/50/09/29/408500929.db2.gz PVNALANSCUHYRE-NSHDSACASA-N 1 2 315.391 1.465 20 70 DDIDLO O=C1[C@@H]([N@@H+]2CCC3(C2)OCCO3)CCCN1c1cccc(F)c1 ZINC000160671054 408510810 /nfs/dbraw/zinc/51/08/10/408510810.db2.gz RIZUYTQZEVUEDW-HNNXBMFYSA-N 1 2 320.364 1.770 20 70 DDIDLO O=C1[C@@H]([N@H+]2CCC3(C2)OCCO3)CCCN1c1cccc(F)c1 ZINC000160671054 408510814 /nfs/dbraw/zinc/51/08/14/408510814.db2.gz RIZUYTQZEVUEDW-HNNXBMFYSA-N 1 2 320.364 1.770 20 70 DDIDLO Cn1cnc2cc(C(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cnc21 ZINC000160727963 408517640 /nfs/dbraw/zinc/51/76/40/408517640.db2.gz WKXBBMYLXPZWHL-ZDUSSCGKSA-N 1 2 310.361 1.470 20 70 DDIDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000160802066 408524884 /nfs/dbraw/zinc/52/48/84/408524884.db2.gz XQLVWOYXZIDSFB-OAHLLOKOSA-N 1 2 313.405 1.583 20 70 DDIDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000160802066 408524889 /nfs/dbraw/zinc/52/48/89/408524889.db2.gz XQLVWOYXZIDSFB-OAHLLOKOSA-N 1 2 313.405 1.583 20 70 DDIDLO CNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161209566 408573894 /nfs/dbraw/zinc/57/38/94/408573894.db2.gz WDSJMNLGFIPSOB-NWDGAFQWSA-N 1 2 302.296 1.559 20 70 DDIDLO CNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161209566 408573901 /nfs/dbraw/zinc/57/39/01/408573901.db2.gz WDSJMNLGFIPSOB-NWDGAFQWSA-N 1 2 302.296 1.559 20 70 DDIDLO CCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000217183621 163331159 /nfs/dbraw/zinc/33/11/59/163331159.db2.gz FFYFYGGMVTXSGV-IUODEOHRSA-N 1 2 301.333 1.736 20 70 DDIDLO CCOC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000217183621 163331161 /nfs/dbraw/zinc/33/11/61/163331161.db2.gz FFYFYGGMVTXSGV-IUODEOHRSA-N 1 2 301.333 1.736 20 70 DDIDLO Cn1ncc2c1nc[nH+]c2N[C@H](CC(N)=O)C1CCCCC1 ZINC000161410483 294576643 /nfs/dbraw/zinc/57/66/43/294576643.db2.gz SMJZOXIXEQSBJC-GFCCVEGCSA-N 1 2 302.382 1.600 20 70 DDIDLO COCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000160710922 484068117 /nfs/dbraw/zinc/06/81/17/484068117.db2.gz VPRBWUKTBIWPFK-KGLIPLIRSA-N 1 2 313.348 1.656 20 70 DDIDLO COCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000160710922 484068119 /nfs/dbraw/zinc/06/81/19/484068119.db2.gz VPRBWUKTBIWPFK-KGLIPLIRSA-N 1 2 313.348 1.656 20 70 DDIDLO C[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1n1cc[nH+]c1 ZINC000160808062 484069443 /nfs/dbraw/zinc/06/94/43/484069443.db2.gz UETSJLGDTLTYGL-IUODEOHRSA-N 1 2 324.388 1.888 20 70 DDIDLO Cc1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)nc1 ZINC000159902731 539219262 /nfs/dbraw/zinc/21/92/62/539219262.db2.gz UISBWTBBZWBENX-UHFFFAOYSA-N 1 2 309.377 1.150 20 70 DDIDLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161025688 354241916 /nfs/dbraw/zinc/24/19/16/354241916.db2.gz OCIAJIKQLHVLPX-GHMZBOCLSA-N 1 2 316.327 1.198 20 70 DDIDLO O=C(N[C@H]1CCc2ncnn2C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000161069831 295907519 /nfs/dbraw/zinc/90/75/19/295907519.db2.gz NEOJLKCVVNHHBB-NWDGAFQWSA-N 1 2 315.381 1.253 20 70 DDIDLO COCCCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159819237 197366666 /nfs/dbraw/zinc/36/66/66/197366666.db2.gz RFDLDOMNJYQWHR-UHFFFAOYSA-N 1 2 320.437 1.726 20 70 DDIDLO COC(=O)C1([N@H+](C)CCCS(=O)(=O)C(C)C)CCCC1 ZINC000159498270 408413043 /nfs/dbraw/zinc/41/30/43/408413043.db2.gz ZLAYCHUHXKEXEI-UHFFFAOYSA-N 1 2 305.440 1.617 20 70 DDIDLO COC(=O)C1([N@@H+](C)CCCS(=O)(=O)C(C)C)CCCC1 ZINC000159498270 408413047 /nfs/dbraw/zinc/41/30/47/408413047.db2.gz ZLAYCHUHXKEXEI-UHFFFAOYSA-N 1 2 305.440 1.617 20 70 DDIDLO Cc1cc(N2CCN(Cc3nncn3C)CC2)nc(C(C)C)[nH+]1 ZINC000160723711 408516971 /nfs/dbraw/zinc/51/69/71/408516971.db2.gz WBHWXMKQAZGECS-UHFFFAOYSA-N 1 2 315.425 1.359 20 70 DDIDLO Cc1cc(F)ccc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161006447 408549031 /nfs/dbraw/zinc/54/90/31/408549031.db2.gz MESBHMSGIMOKLO-INIZCTEOSA-N 1 2 306.381 1.957 20 70 DDIDLO O=c1cc(CN2CC[NH+](Cc3ccncc3)CC2)occ1O ZINC000161187589 408572205 /nfs/dbraw/zinc/57/22/05/408572205.db2.gz BQHKERLBQBNUCQ-UHFFFAOYSA-N 1 2 301.346 1.058 20 70 DDIDLO COc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(O)c1 ZINC000161329036 408589053 /nfs/dbraw/zinc/58/90/53/408589053.db2.gz IPSWZSZLGUQIJM-GFCCVEGCSA-N 1 2 313.357 1.805 20 70 DDIDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cccc(F)n1 ZINC000161378237 408595186 /nfs/dbraw/zinc/59/51/86/408595186.db2.gz CIGWFSUYBOAKHO-UHFFFAOYSA-N 1 2 316.336 1.382 20 70 DDIDLO CS[C@H](C)CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000160869832 408532681 /nfs/dbraw/zinc/53/26/81/408532681.db2.gz IXKDSRXBHQQDRR-OCCSQVGLSA-N 1 2 318.508 1.452 20 70 DDIDLO CC[N@H+](Cc1c(C)nc2ccccn21)[C@@H](C)CS(C)(=O)=O ZINC000160385940 521275604 /nfs/dbraw/zinc/27/56/04/521275604.db2.gz ODRUVUNDXBMSPZ-LBPRGKRZSA-N 1 2 309.435 1.898 20 70 DDIDLO CC[N@@H+](Cc1c(C)nc2ccccn21)[C@@H](C)CS(C)(=O)=O ZINC000160385940 521275608 /nfs/dbraw/zinc/27/56/08/521275608.db2.gz ODRUVUNDXBMSPZ-LBPRGKRZSA-N 1 2 309.435 1.898 20 70 DDIDLO CCN(Cc1c(C)[nH+]c2ccccn21)[C@@H](C)CS(C)(=O)=O ZINC000160385940 521275613 /nfs/dbraw/zinc/27/56/13/521275613.db2.gz ODRUVUNDXBMSPZ-LBPRGKRZSA-N 1 2 309.435 1.898 20 70 DDIDLO CN1CC[C@@H]([NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000161276031 197481096 /nfs/dbraw/zinc/48/10/96/197481096.db2.gz PFILHDUKHAVJAV-CVEARBPZSA-N 1 2 315.417 1.561 20 70 DDIDLO CC(C)Oc1cncc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000159716169 408426671 /nfs/dbraw/zinc/42/66/71/408426671.db2.gz JOIXCWNIYPGWSM-HUUCEWRRSA-N 1 2 305.378 1.024 20 70 DDIDLO CC(C)Oc1cncc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000159716169 408426675 /nfs/dbraw/zinc/42/66/75/408426675.db2.gz JOIXCWNIYPGWSM-HUUCEWRRSA-N 1 2 305.378 1.024 20 70 DDIDLO CO[C@H]1CCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160679966 408513170 /nfs/dbraw/zinc/51/31/70/408513170.db2.gz LAMAVWNBLHZTCP-CABCVRRESA-N 1 2 318.421 1.917 20 70 DDIDLO CCC[N@@H+](Cc1nncn1C)C[C@@H]1COc2ccccc2O1 ZINC000160779022 408521789 /nfs/dbraw/zinc/52/17/89/408521789.db2.gz XELCIVHUTYVHLL-CYBMUJFWSA-N 1 2 302.378 1.867 20 70 DDIDLO CCC[N@H+](Cc1nncn1C)C[C@@H]1COc2ccccc2O1 ZINC000160779022 408521795 /nfs/dbraw/zinc/52/17/95/408521795.db2.gz XELCIVHUTYVHLL-CYBMUJFWSA-N 1 2 302.378 1.867 20 70 DDIDLO O=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)Nc1cccc(F)c1 ZINC000161048657 408554653 /nfs/dbraw/zinc/55/46/53/408554653.db2.gz DFQHJTBJORIDMS-NSHDSACASA-N 1 2 316.336 1.340 20 70 DDIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)[nH]1 ZINC000160364924 522351168 /nfs/dbraw/zinc/35/11/68/522351168.db2.gz YLBAFRRTLSSDJQ-SECBINFHSA-N 1 2 301.350 1.549 20 70 DDIDLO CO[C@](C)(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160426634 524025095 /nfs/dbraw/zinc/02/50/95/524025095.db2.gz LDHHLGOMTWBODU-AEFFLSMTSA-N 1 2 318.417 1.528 20 70 DDIDLO CO[C@](C)(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160426634 524025099 /nfs/dbraw/zinc/02/50/99/524025099.db2.gz LDHHLGOMTWBODU-AEFFLSMTSA-N 1 2 318.417 1.528 20 70 DDIDLO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1 ZINC000159717472 186137347 /nfs/dbraw/zinc/13/73/47/186137347.db2.gz DZONGNFVVMZWHH-NVXWUHKLSA-N 1 2 305.422 1.846 20 70 DDIDLO C[C@H](CNC(=O)NC[C@]1(C)CCCS1)[NH+]1CCOCC1 ZINC000160228838 197393993 /nfs/dbraw/zinc/39/39/93/197393993.db2.gz XFJYSIDKSHGBLB-OCCSQVGLSA-N 1 2 301.456 1.292 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000159808738 197365326 /nfs/dbraw/zinc/36/53/26/197365326.db2.gz IULRVYPOOYEOCR-OAHLLOKOSA-N 1 2 313.357 1.098 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000159808738 197365329 /nfs/dbraw/zinc/36/53/29/197365329.db2.gz IULRVYPOOYEOCR-OAHLLOKOSA-N 1 2 313.357 1.098 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(C)cc1C ZINC000159785548 197364728 /nfs/dbraw/zinc/36/47/28/197364728.db2.gz KUAOPKSOJXYTFG-HNNXBMFYSA-N 1 2 304.390 1.475 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)c(C)cc1C ZINC000159785548 197364730 /nfs/dbraw/zinc/36/47/30/197364730.db2.gz KUAOPKSOJXYTFG-HNNXBMFYSA-N 1 2 304.390 1.475 20 70 DDIDLO COC(=O)[C@H]1C[C@H](OC)CN1Cc1c(C)[nH+]c2ccccn21 ZINC000160466297 162149800 /nfs/dbraw/zinc/14/98/00/162149800.db2.gz YXCVYISWTSNDIW-QWHCGFSZSA-N 1 2 303.362 1.405 20 70 DDIDLO CC(=O)N1CC[C@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000159424163 408407679 /nfs/dbraw/zinc/40/76/79/408407679.db2.gz PMEPZLJUTVHKNM-AWEZNQCLSA-N 1 2 312.373 1.531 20 70 DDIDLO CC1(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC1 ZINC000159900247 408443247 /nfs/dbraw/zinc/44/32/47/408443247.db2.gz GBKYPSBUYOKQJQ-OAHLLOKOSA-N 1 2 313.467 1.436 20 70 DDIDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000160407984 408480196 /nfs/dbraw/zinc/48/01/96/408480196.db2.gz VKRGWQYPRNCIOG-LLVKDONJSA-N 1 2 318.464 1.303 20 70 DDIDLO CC[N@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160553055 408493507 /nfs/dbraw/zinc/49/35/07/408493507.db2.gz SMUHOJUARSZJNG-OAHLLOKOSA-N 1 2 323.462 1.691 20 70 DDIDLO CC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160553055 408493514 /nfs/dbraw/zinc/49/35/14/408493514.db2.gz SMUHOJUARSZJNG-OAHLLOKOSA-N 1 2 323.462 1.691 20 70 DDIDLO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000160696115 408514898 /nfs/dbraw/zinc/51/48/98/408514898.db2.gz YPZYTVMULAJXBQ-CYBMUJFWSA-N 1 2 300.362 1.923 20 70 DDIDLO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000160696115 408514902 /nfs/dbraw/zinc/51/49/02/408514902.db2.gz YPZYTVMULAJXBQ-CYBMUJFWSA-N 1 2 300.362 1.923 20 70 DDIDLO CCC[N@H+](Cc1cc(C(N)=O)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000161113197 408562193 /nfs/dbraw/zinc/56/21/93/408562193.db2.gz YRNLHBLVCQGIET-NSHDSACASA-N 1 2 316.448 1.246 20 70 DDIDLO CCC[N@@H+](Cc1cc(C(N)=O)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000161113197 408562194 /nfs/dbraw/zinc/56/21/94/408562194.db2.gz YRNLHBLVCQGIET-NSHDSACASA-N 1 2 316.448 1.246 20 70 DDIDLO C[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000161155874 408567238 /nfs/dbraw/zinc/56/72/38/408567238.db2.gz JRFSCKHJVHIWAB-MRXNPFEDSA-N 1 2 316.449 1.458 20 70 DDIDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC000161155874 408567241 /nfs/dbraw/zinc/56/72/41/408567241.db2.gz JRFSCKHJVHIWAB-MRXNPFEDSA-N 1 2 316.449 1.458 20 70 DDIDLO C[C@H](C(=O)N1CCCCCC1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161168387 408567393 /nfs/dbraw/zinc/56/73/93/408567393.db2.gz WOQYAQBCADFWLL-GFCCVEGCSA-N 1 2 313.423 1.126 20 70 DDIDLO C[C@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161185163 408568500 /nfs/dbraw/zinc/56/85/00/408568500.db2.gz KEAWGEFHSFEGIM-LBPRGKRZSA-N 1 2 321.402 1.212 20 70 DDIDLO CS(=O)(=O)CCCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159621238 539218807 /nfs/dbraw/zinc/21/88/07/539218807.db2.gz SJDNJUBZMLBELR-QGZVFWFLSA-N 1 2 323.458 1.985 20 70 DDIDLO CS(=O)(=O)CCCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159621238 539218808 /nfs/dbraw/zinc/21/88/08/539218808.db2.gz SJDNJUBZMLBELR-QGZVFWFLSA-N 1 2 323.458 1.985 20 70 DDIDLO CC(C)C[C@H](CNC(=O)[C@H]1CCC(=O)C[C@H]1C)[NH+]1CCOCC1 ZINC000159578447 290759785 /nfs/dbraw/zinc/75/97/85/290759785.db2.gz CYEAJLWSZJJVIY-INMHGKMJSA-N 1 2 324.465 1.855 20 70 DDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NCCc1ccccc1 ZINC000159875959 290763670 /nfs/dbraw/zinc/76/36/70/290763670.db2.gz AWHIGRCHRYKUKD-HNNXBMFYSA-N 1 2 322.474 1.799 20 70 DDIDLO O=C(CSCC[NH+]1CCOCC1)N(C1CC1)C1CCCC1 ZINC000159778855 408433604 /nfs/dbraw/zinc/43/36/04/408433604.db2.gz DLEMCTKUIUWCQX-UHFFFAOYSA-N 1 2 312.479 1.985 20 70 DDIDLO CCc1nnc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)[nH]1 ZINC000160207224 408462980 /nfs/dbraw/zinc/46/29/80/408462980.db2.gz KKGWUDACYLWOSV-UHFFFAOYSA-N 1 2 307.442 1.932 20 70 DDIDLO CCC[N@H+](Cc1cccc(OCC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000161096408 408558251 /nfs/dbraw/zinc/55/82/51/408558251.db2.gz JNGGQVZWARCGPP-AWEZNQCLSA-N 1 2 312.435 1.879 20 70 DDIDLO CCC[N@@H+](Cc1cccc(OCC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000161096408 408558256 /nfs/dbraw/zinc/55/82/56/408558256.db2.gz JNGGQVZWARCGPP-AWEZNQCLSA-N 1 2 312.435 1.879 20 70 DDIDLO C[C@H]([C@H](C)NC(=O)N(C)Cc1cccn1C)[NH+]1CCOCC1 ZINC000161114418 408560705 /nfs/dbraw/zinc/56/07/05/408560705.db2.gz JNPBAHVJDIGGCV-UONOGXRCSA-N 1 2 308.426 1.276 20 70 DDIDLO CS[C@@H]1CCCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000161126731 408564313 /nfs/dbraw/zinc/56/43/13/408564313.db2.gz YBWYFUHBBIKNIG-CYBMUJFWSA-N 1 2 301.456 1.246 20 70 DDIDLO CCC(=O)N1CC[C@H](C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000161142307 408564520 /nfs/dbraw/zinc/56/45/20/408564520.db2.gz XXJBITLKEYRMCA-QWHCGFSZSA-N 1 2 304.394 1.722 20 70 DDIDLO CS(=O)(=O)CCCC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000161084603 539221008 /nfs/dbraw/zinc/22/10/08/539221008.db2.gz NISALJTZXWWLOB-UHFFFAOYSA-N 1 2 312.435 1.339 20 70 DDIDLO CCN(Cc1c[nH+]c2c(C)cccn12)[C@@H]1CCS(=O)(=O)C1 ZINC000160567499 290773676 /nfs/dbraw/zinc/77/36/76/290773676.db2.gz JCNCPLROOJVNON-CYBMUJFWSA-N 1 2 307.419 1.652 20 70 DDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccccc2F)CC1 ZINC000160746631 290776336 /nfs/dbraw/zinc/77/63/36/290776336.db2.gz LGKFSLJFEQBHFX-UHFFFAOYSA-N 1 2 302.353 1.517 20 70 DDIDLO O=C(c1cccc2nc[nH]c21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000159724743 186137511 /nfs/dbraw/zinc/13/75/11/186137511.db2.gz ULOFBVWQVDQRHH-ZDUSSCGKSA-N 1 2 314.389 1.500 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(C)cc1C ZINC000159785689 291114649 /nfs/dbraw/zinc/11/46/49/291114649.db2.gz KUAOPKSOJXYTFG-OAHLLOKOSA-N 1 2 304.390 1.475 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)c(C)cc1C ZINC000159785689 291114653 /nfs/dbraw/zinc/11/46/53/291114653.db2.gz KUAOPKSOJXYTFG-OAHLLOKOSA-N 1 2 304.390 1.475 20 70 DDIDLO CC(C)c1nc(N2CCC[C@@H](n3cncn3)C2)nc(N(C)C)[nH+]1 ZINC000159520187 197359873 /nfs/dbraw/zinc/35/98/73/197359873.db2.gz IOSXNWOZVWBEKN-GFCCVEGCSA-N 1 2 316.413 1.494 20 70 DDIDLO CC(C)c1nc(N(C)C)nc(N2CCC[C@@H](n3cncn3)C2)[nH+]1 ZINC000159520187 197359875 /nfs/dbraw/zinc/35/98/75/197359875.db2.gz IOSXNWOZVWBEKN-GFCCVEGCSA-N 1 2 316.413 1.494 20 70 DDIDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3nncn3C)CC2)nc1 ZINC000160832017 408529566 /nfs/dbraw/zinc/52/95/66/408529566.db2.gz SXBHKQYBNARBSM-UHFFFAOYSA-N 1 2 314.393 1.369 20 70 DDIDLO CS(=O)(=O)CCCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000161310580 539221401 /nfs/dbraw/zinc/22/14/01/539221401.db2.gz SVWMDMHMSQJPSD-UHFFFAOYSA-N 1 2 324.490 1.672 20 70 DDIDLO CC[C@H](C)NC(=O)[C@H](SCC[NH+]1CCOCC1)C(C)C ZINC000159866420 290764103 /nfs/dbraw/zinc/76/41/03/290764103.db2.gz MNTBYNQOGCPQIY-UONOGXRCSA-N 1 2 302.484 1.991 20 70 DDIDLO CCC[C@H](C)CS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160381329 290771558 /nfs/dbraw/zinc/77/15/58/290771558.db2.gz FUROOWQGAHPTSI-UONOGXRCSA-N 1 2 306.472 1.310 20 70 DDIDLO C[N@H+](CC(C)(CO)CO)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000159543485 186125838 /nfs/dbraw/zinc/12/58/38/186125838.db2.gz YNVONPIQVUHLGF-OAHLLOKOSA-N 1 2 324.396 1.068 20 70 DDIDLO C[N@@H+](CC(C)(CO)CO)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000159543485 186125840 /nfs/dbraw/zinc/12/58/40/186125840.db2.gz YNVONPIQVUHLGF-OAHLLOKOSA-N 1 2 324.396 1.068 20 70 DDIDLO CC[N@H+](Cc1ccccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000160530657 285117459 /nfs/dbraw/zinc/11/74/59/285117459.db2.gz RCKFNMIQHVPWHT-ZDUSSCGKSA-N 1 2 311.403 1.482 20 70 DDIDLO CC[N@@H+](Cc1ccccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000160530657 285117462 /nfs/dbraw/zinc/11/74/62/285117462.db2.gz RCKFNMIQHVPWHT-ZDUSSCGKSA-N 1 2 311.403 1.482 20 70 DDIDLO CCC(CC)[C@@H](C(=O)N[C@H](CO)CC(C)C)[NH+]1CCOCC1 ZINC000160676807 408512765 /nfs/dbraw/zinc/51/27/65/408512765.db2.gz XWELXTNGDFSBIO-HOTGVXAUSA-N 1 2 314.470 1.647 20 70 DDIDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000160756780 408519641 /nfs/dbraw/zinc/51/96/41/408519641.db2.gz KDPPBRKPOVIJIN-UHFFFAOYSA-N 1 2 316.380 1.907 20 70 DDIDLO CCc1nc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000161149431 408566951 /nfs/dbraw/zinc/56/69/51/408566951.db2.gz DOAHTBMBWACLFU-NSHDSACASA-N 1 2 304.419 1.823 20 70 DDIDLO COC(=O)c1ccc(CS(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161170944 408568841 /nfs/dbraw/zinc/56/88/41/408568841.db2.gz XJWQXJPSYLZQLJ-UHFFFAOYSA-N 1 2 308.359 1.322 20 70 DDIDLO CS(=O)(=O)CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000161080526 539221068 /nfs/dbraw/zinc/22/10/68/539221068.db2.gz IHVMDYGJADYJCZ-UHFFFAOYSA-N 1 2 310.463 1.629 20 70 DDIDLO CC[C@H](C)NC(=O)[C@@H](SCC[NH+]1CCOCC1)C(C)C ZINC000159866697 290763749 /nfs/dbraw/zinc/76/37/49/290763749.db2.gz MNTBYNQOGCPQIY-KBPBESRZSA-N 1 2 302.484 1.991 20 70 DDIDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)CC(C)(CO)CO)c(C)c1 ZINC000159565805 186127311 /nfs/dbraw/zinc/12/73/11/186127311.db2.gz AGNJYFDHAJGXIB-UHFFFAOYSA-N 1 2 308.422 1.473 20 70 DDIDLO Cc1cc(C)c(NC(=O)C[N@H+](C)CC(C)(CO)CO)c(C)c1 ZINC000159565805 186127314 /nfs/dbraw/zinc/12/73/14/186127314.db2.gz AGNJYFDHAJGXIB-UHFFFAOYSA-N 1 2 308.422 1.473 20 70 DDIDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)NC1(CO)CC1 ZINC000161111216 354242066 /nfs/dbraw/zinc/24/20/66/354242066.db2.gz CJXUCGMUCRZLEX-UHFFFAOYSA-N 1 2 305.378 1.165 20 70 DDIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCOC1 ZINC000160388529 197405706 /nfs/dbraw/zinc/40/57/06/197405706.db2.gz UWBRVJYDAQXNKS-GJZGRUSLSA-N 1 2 318.421 1.334 20 70 DDIDLO CN(CCC1CC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000159490022 197357905 /nfs/dbraw/zinc/35/79/05/197357905.db2.gz BTFQDSJXVDHLEY-UHFFFAOYSA-N 1 2 321.425 1.479 20 70 DDIDLO CCc1nnc(C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)[nH]1 ZINC000159375785 197348436 /nfs/dbraw/zinc/34/84/36/197348436.db2.gz ZOXGPLUJPLQJGQ-LBPRGKRZSA-N 1 2 303.414 1.919 20 70 DDIDLO CCc1nnc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)[nH]1 ZINC000159375785 197348437 /nfs/dbraw/zinc/34/84/37/197348437.db2.gz ZOXGPLUJPLQJGQ-LBPRGKRZSA-N 1 2 303.414 1.919 20 70 DDIDLO CC(C)CN(C(=O)CSCC[NH+]1CCOCC1)C1CC1 ZINC000160061620 408451451 /nfs/dbraw/zinc/45/14/51/408451451.db2.gz SDTLDSCDQIIYTJ-UHFFFAOYSA-N 1 2 300.468 1.699 20 70 DDIDLO Cc1ccc(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)cn1 ZINC000159917662 408442646 /nfs/dbraw/zinc/44/26/46/408442646.db2.gz CCMWEKOGHWQXTD-UHFFFAOYSA-N 1 2 323.356 1.335 20 70 DDIDLO COc1ccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000160753402 408519353 /nfs/dbraw/zinc/51/93/53/408519353.db2.gz GTJSBOYHVZWWLO-UHFFFAOYSA-N 1 2 314.389 1.387 20 70 DDIDLO C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161189271 408570363 /nfs/dbraw/zinc/57/03/63/408570363.db2.gz XIAKDOCRSWLHOO-RYUDHWBXSA-N 1 2 313.423 1.124 20 70 DDIDLO Cc1ccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)cc1C ZINC000161186757 408572128 /nfs/dbraw/zinc/57/21/28/408572128.db2.gz KDIHNUGWGIEUGS-UHFFFAOYSA-N 1 2 321.402 1.590 20 70 DDIDLO Cc1cc(C[C@@H](C)NC(=O)C[N@@H+]2CCc3sccc3C2)[nH]n1 ZINC000161263735 408578749 /nfs/dbraw/zinc/57/87/49/408578749.db2.gz ODAHDKAXQVJNSS-LLVKDONJSA-N 1 2 318.446 1.885 20 70 DDIDLO Cc1cc(C[C@@H](C)NC(=O)C[N@H+]2CCc3sccc3C2)[nH]n1 ZINC000161263735 408578755 /nfs/dbraw/zinc/57/87/55/408578755.db2.gz ODAHDKAXQVJNSS-LLVKDONJSA-N 1 2 318.446 1.885 20 70 DDIDLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c2ccccc21 ZINC000160397050 527165969 /nfs/dbraw/zinc/16/59/69/527165969.db2.gz ULKMGUDDPLWJDW-AWEZNQCLSA-N 1 2 313.401 1.771 20 70 DDIDLO Cn1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c2ccccc21 ZINC000160397050 527165974 /nfs/dbraw/zinc/16/59/74/527165974.db2.gz ULKMGUDDPLWJDW-AWEZNQCLSA-N 1 2 313.401 1.771 20 70 DDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NCCc1ccccc1 ZINC000159876092 290763717 /nfs/dbraw/zinc/76/37/17/290763717.db2.gz AWHIGRCHRYKUKD-OAHLLOKOSA-N 1 2 322.474 1.799 20 70 DDIDLO C[C@]1(O)CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000160121525 197387223 /nfs/dbraw/zinc/38/72/23/197387223.db2.gz FMCYFMDMERAYDM-KRWDZBQOSA-N 1 2 318.421 1.738 20 70 DDIDLO COc1cccc(CNC(=O)CSCC[NH+]2CCOCC2)c1 ZINC000160007457 197379311 /nfs/dbraw/zinc/37/93/11/197379311.db2.gz LWBVPGZJLFARSH-UHFFFAOYSA-N 1 2 324.446 1.377 20 70 DDIDLO O=C(NCCn1cccc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000160164476 408460574 /nfs/dbraw/zinc/46/05/74/408460574.db2.gz MINGFPCVYQGDLJ-UHFFFAOYSA-N 1 2 323.356 1.429 20 70 DDIDLO CC[N@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000160553180 408494284 /nfs/dbraw/zinc/49/42/84/408494284.db2.gz SMUHOJUARSZJNG-HNNXBMFYSA-N 1 2 323.462 1.691 20 70 DDIDLO CC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000160553180 408494290 /nfs/dbraw/zinc/49/42/90/408494290.db2.gz SMUHOJUARSZJNG-HNNXBMFYSA-N 1 2 323.462 1.691 20 70 DDIDLO Cc1[nH+]c2ccccn2c1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160289183 408468718 /nfs/dbraw/zinc/46/87/18/408468718.db2.gz NJDRQQQDJCNDQS-AWEZNQCLSA-N 1 2 319.430 1.794 20 70 DDIDLO Cc1nc2ccccn2c1C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160289183 408468721 /nfs/dbraw/zinc/46/87/21/408468721.db2.gz NJDRQQQDJCNDQS-AWEZNQCLSA-N 1 2 319.430 1.794 20 70 DDIDLO Cc1nc2ccccn2c1C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160289183 408468726 /nfs/dbraw/zinc/46/87/26/408468726.db2.gz NJDRQQQDJCNDQS-AWEZNQCLSA-N 1 2 319.430 1.794 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1(C)CCCS1 ZINC000160315704 408471601 /nfs/dbraw/zinc/47/16/01/408471601.db2.gz RZIWMZPLZZDPGH-GXTWGEPZSA-N 1 2 301.456 1.292 20 70 DDIDLO Cn1c(=O)oc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc21 ZINC000161146959 408564697 /nfs/dbraw/zinc/56/46/97/408564697.db2.gz SRDGZVMLYIDUDC-SNVBAGLBSA-N 1 2 312.329 1.529 20 70 DDIDLO Cc1cccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)c1 ZINC000161177868 408569295 /nfs/dbraw/zinc/56/92/95/408569295.db2.gz QMSGAPBAHASNPT-UHFFFAOYSA-N 1 2 307.375 1.282 20 70 DDIDLO C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161194036 408570752 /nfs/dbraw/zinc/57/07/52/408570752.db2.gz LRWPZZSTKXJHSB-LLVKDONJSA-N 1 2 313.423 1.172 20 70 DDIDLO Cc1noc([C@@H]2CCC[N@@H+](CCCS(=O)(=O)C(C)C)C2)n1 ZINC000160963052 408544044 /nfs/dbraw/zinc/54/40/44/408544044.db2.gz WXTNNOBFYRKUIB-CYBMUJFWSA-N 1 2 315.439 1.771 20 70 DDIDLO Cc1noc([C@@H]2CCC[N@H+](CCCS(=O)(=O)C(C)C)C2)n1 ZINC000160963052 408544049 /nfs/dbraw/zinc/54/40/49/408544049.db2.gz WXTNNOBFYRKUIB-CYBMUJFWSA-N 1 2 315.439 1.771 20 70 DDIDLO CC(C)C[C@H](CNC(=O)[C@@H]1CCC(=O)C[C@H]1C)[NH+]1CCOCC1 ZINC000159578712 290759730 /nfs/dbraw/zinc/75/97/30/290759730.db2.gz CYEAJLWSZJJVIY-BFYDXBDKSA-N 1 2 324.465 1.855 20 70 DDIDLO O=C([C@H]1CCCCO1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000160036366 197380776 /nfs/dbraw/zinc/38/07/76/197380776.db2.gz XXEWZMMMQOLMMT-QGZVFWFLSA-N 1 2 318.417 1.779 20 70 DDIDLO CC[C@H](C)CS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159472003 408410691 /nfs/dbraw/zinc/41/06/91/408410691.db2.gz OWBHQTNBBKXHDE-AWEZNQCLSA-N 1 2 320.499 1.653 20 70 DDIDLO CCS(=O)(=O)C[C@@H](C)N(C)Cc1c(C)[nH+]c2ccccn21 ZINC000160397755 408478978 /nfs/dbraw/zinc/47/89/78/408478978.db2.gz SBJOTSDOUMKUAZ-GFCCVEGCSA-N 1 2 309.435 1.898 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCOC2(CCCC2)C1 ZINC000160593727 408499174 /nfs/dbraw/zinc/49/91/74/408499174.db2.gz PYUCTCCUHKCEPP-AWEZNQCLSA-N 1 2 311.426 1.062 20 70 DDIDLO CC(C)n1nccc1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000160845423 408529857 /nfs/dbraw/zinc/52/98/57/408529857.db2.gz VBBLCFNNMFUQQU-GFCCVEGCSA-N 1 2 321.450 1.713 20 70 DDIDLO COC(=O)c1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1Cl ZINC000161061366 408555248 /nfs/dbraw/zinc/55/52/48/408555248.db2.gz DVMNJIKFIVFTRK-SNVBAGLBSA-N 1 2 300.767 1.728 20 70 DDIDLO COC[C@H](O)CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000161217018 408574788 /nfs/dbraw/zinc/57/47/88/408574788.db2.gz YASALFBGODPTGC-CQSZACIVSA-N 1 2 318.377 1.606 20 70 DDIDLO Cc1ccc(F)c(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000160964104 408544104 /nfs/dbraw/zinc/54/41/04/408544104.db2.gz QDZOUQVMTHOJDQ-MRXNPFEDSA-N 1 2 306.381 1.957 20 70 DDIDLO O=C(NCCOc1ccc(F)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161461781 408604355 /nfs/dbraw/zinc/60/43/55/408604355.db2.gz FHVLBVSLTOOYFU-NSHDSACASA-N 1 2 321.327 1.919 20 70 DDIDLO Cn1cc(C[NH2+][C@@H](C(N)=O)c2ccccc2)c(C(F)(F)F)n1 ZINC000159802648 294240478 /nfs/dbraw/zinc/24/04/78/294240478.db2.gz JMFIJZUYJNPALZ-LLVKDONJSA-N 1 2 312.295 1.755 20 70 DDIDLO COC(=O)c1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1Cl ZINC000161061232 536772306 /nfs/dbraw/zinc/77/23/06/536772306.db2.gz DVMNJIKFIVFTRK-JTQLQIEISA-N 1 2 300.767 1.728 20 70 DDIDLO COCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159894426 197372003 /nfs/dbraw/zinc/37/20/03/197372003.db2.gz UUJBCVXNSVRERJ-AWEZNQCLSA-N 1 2 306.410 1.334 20 70 DDIDLO CCN1CC[NH+](CCCNC(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC000160030971 408452246 /nfs/dbraw/zinc/45/22/46/408452246.db2.gz JLPAVKKOBRVWHA-UHFFFAOYSA-N 1 2 321.469 1.599 20 70 DDIDLO C[C@@H]1[C@H](C)OCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159778547 408433567 /nfs/dbraw/zinc/43/35/67/408433567.db2.gz OGTISDPSDIWGEX-OLZOCXBDSA-N 1 2 306.410 1.581 20 70 DDIDLO Cn1cc(C[NH2+][C@H](C(N)=O)c2ccccc2)c(C(F)(F)F)n1 ZINC000159802548 408436797 /nfs/dbraw/zinc/43/67/97/408436797.db2.gz JMFIJZUYJNPALZ-NSHDSACASA-N 1 2 312.295 1.755 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160596114 408503028 /nfs/dbraw/zinc/50/30/28/408503028.db2.gz AQMQMBAXEUNYSM-NJZAAPMLSA-N 1 2 324.371 1.905 20 70 DDIDLO CCc1ccccc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000160845153 408529847 /nfs/dbraw/zinc/52/98/47/408529847.db2.gz CKMFFKQGJOGVOP-UHFFFAOYSA-N 1 2 317.433 1.485 20 70 DDIDLO CCc1ccccc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000160845153 408529850 /nfs/dbraw/zinc/52/98/50/408529850.db2.gz CKMFFKQGJOGVOP-UHFFFAOYSA-N 1 2 317.433 1.485 20 70 DDIDLO COc1ccc(O)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161334004 408589109 /nfs/dbraw/zinc/58/91/09/408589109.db2.gz PAWJAJDHUKFLNA-LBPRGKRZSA-N 1 2 313.357 1.805 20 70 DDIDLO COCc1nc2n(n1)C[C@H](Nc1cc[nH+]c(C(C)C)n1)CC2 ZINC000161380510 408596369 /nfs/dbraw/zinc/59/63/69/408596369.db2.gz OZCJDRNKGHTRPS-LLVKDONJSA-N 1 2 302.382 1.765 20 70 DDIDLO FC(F)(F)c1nnc2n1CCN(Cc1c[nH+]c3ccccn13)C2 ZINC000160562457 539220143 /nfs/dbraw/zinc/22/01/43/539220143.db2.gz WWVUDYKSOZAMQR-UHFFFAOYSA-N 1 2 322.294 1.960 20 70 DDIDLO C[C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccncc1 ZINC000160760645 539220464 /nfs/dbraw/zinc/22/04/64/539220464.db2.gz CJAGYALDWRIASN-WBVHZDCISA-N 1 2 317.433 1.898 20 70 DDIDLO CC(C)C[C@H](C)N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000160061914 290766171 /nfs/dbraw/zinc/76/61/71/290766171.db2.gz ADJWULZYLRDCOI-AWEZNQCLSA-N 1 2 302.484 1.945 20 70 DDIDLO Cn1cnnc1CN1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000160783519 290776845 /nfs/dbraw/zinc/77/68/45/290776845.db2.gz LTSBLYJNHWFGCK-UHFFFAOYSA-N 1 2 323.803 1.925 20 70 DDIDLO CS(=O)(=O)CCC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000216931935 201505982 /nfs/dbraw/zinc/50/59/82/201505982.db2.gz FZDNSKJQOKYRDO-UHFFFAOYSA-N 1 2 323.418 1.385 20 70 DDIDLO CCOC(=O)C1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160235551 197394934 /nfs/dbraw/zinc/39/49/34/197394934.db2.gz UWPRHIMBIARNNJ-ROKHWSDSSA-N 1 2 319.405 1.684 20 70 DDIDLO CC(C)OC(=O)CCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000159502190 197358681 /nfs/dbraw/zinc/35/86/81/197358681.db2.gz PJTHJWUNEDYQJN-UHFFFAOYSA-N 1 2 318.377 1.865 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(OC)c(C)c1 ZINC000159803589 408434735 /nfs/dbraw/zinc/43/47/35/408434735.db2.gz QLJOZXDHWFWLRT-AWEZNQCLSA-N 1 2 320.389 1.176 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)c(OC)c(C)c1 ZINC000159803589 408434738 /nfs/dbraw/zinc/43/47/38/408434738.db2.gz QLJOZXDHWFWLRT-AWEZNQCLSA-N 1 2 320.389 1.176 20 70 DDIDLO COCC(C)(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160512262 408491892 /nfs/dbraw/zinc/49/18/92/408491892.db2.gz CSTVGGOJDAOFTM-UHFFFAOYSA-N 1 2 307.394 1.838 20 70 DDIDLO CC[N@H+](CC1=Cc2ccccc2OC1)[C@H]1CCS(=O)(=O)C1 ZINC000160562406 408497279 /nfs/dbraw/zinc/49/72/79/408497279.db2.gz KYQCKPLOTAWEJE-HNNXBMFYSA-N 1 2 307.415 1.971 20 70 DDIDLO CC[N@@H+](CC1=Cc2ccccc2OC1)[C@H]1CCS(=O)(=O)C1 ZINC000160562406 408497282 /nfs/dbraw/zinc/49/72/82/408497282.db2.gz KYQCKPLOTAWEJE-HNNXBMFYSA-N 1 2 307.415 1.971 20 70 DDIDLO CO[C@@H]1CCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160679852 408512581 /nfs/dbraw/zinc/51/25/81/408512581.db2.gz LAMAVWNBLHZTCP-HUUCEWRRSA-N 1 2 318.421 1.917 20 70 DDIDLO Cc1noc(C2CC[NH+](CCCS(=O)(=O)C(C)C)CC2)n1 ZINC000160963919 408545490 /nfs/dbraw/zinc/54/54/90/408545490.db2.gz HBCNPPYHIJIMBD-UHFFFAOYSA-N 1 2 315.439 1.771 20 70 DDIDLO CN1C(=O)CCc2cc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000161426515 408599867 /nfs/dbraw/zinc/59/98/67/408599867.db2.gz NCSLJRAGGXLYLV-ZDUSSCGKSA-N 1 2 324.384 1.993 20 70 DDIDLO CC[C@@H](O)CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160955305 408542482 /nfs/dbraw/zinc/54/24/82/408542482.db2.gz JDCLHWUXCNXXGB-CQSZACIVSA-N 1 2 306.410 1.642 20 70 DDIDLO CC(C)C[C@@H](C)N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000160061794 290765962 /nfs/dbraw/zinc/76/59/62/290765962.db2.gz ADJWULZYLRDCOI-CQSZACIVSA-N 1 2 302.484 1.945 20 70 DDIDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@](C)(O)C2)c[nH+]1 ZINC000160221486 197394209 /nfs/dbraw/zinc/39/42/09/197394209.db2.gz GKJCLFWNHNMOGJ-KRWDZBQOSA-N 1 2 320.437 1.984 20 70 DDIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000160075124 408454718 /nfs/dbraw/zinc/45/47/18/408454718.db2.gz MTOSZWAYHKTNAG-CYBMUJFWSA-N 1 2 309.410 1.397 20 70 DDIDLO COC(=O)C1([N@H+](C)Cc2cc(=O)n3ccccc3n2)CCCC1 ZINC000159383708 408403923 /nfs/dbraw/zinc/40/39/23/408403923.db2.gz QUMOIOKXAJGLFF-UHFFFAOYSA-N 1 2 315.373 1.612 20 70 DDIDLO COC(=O)C1([N@@H+](C)Cc2cc(=O)n3ccccc3n2)CCCC1 ZINC000159383708 408403927 /nfs/dbraw/zinc/40/39/27/408403927.db2.gz QUMOIOKXAJGLFF-UHFFFAOYSA-N 1 2 315.373 1.612 20 70 DDIDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CC(C)(CO)CO)c1C ZINC000159570370 408417225 /nfs/dbraw/zinc/41/72/25/408417225.db2.gz ZWAJQOGNXYVDOU-GFCCVEGCSA-N 1 2 324.421 1.328 20 70 DDIDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO)c1C ZINC000159570370 408417231 /nfs/dbraw/zinc/41/72/31/408417231.db2.gz ZWAJQOGNXYVDOU-GFCCVEGCSA-N 1 2 324.421 1.328 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1 ZINC000159739500 408430515 /nfs/dbraw/zinc/43/05/15/408430515.db2.gz DEOWCNPZIIYXRI-UHFFFAOYSA-N 1 2 308.382 1.117 20 70 DDIDLO CCOc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000160959721 408544743 /nfs/dbraw/zinc/54/47/43/408544743.db2.gz GSCCIHZUGFNTQX-KRWDZBQOSA-N 1 2 318.417 1.909 20 70 DDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1cccc(F)c1 ZINC000161182057 408568310 /nfs/dbraw/zinc/56/83/10/408568310.db2.gz LDIAPWCMGHQPFF-UHFFFAOYSA-N 1 2 311.338 1.113 20 70 DDIDLO CCCn1c(C)nnc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000161369553 408594718 /nfs/dbraw/zinc/59/47/18/408594718.db2.gz IKEWSZVSIXEZPY-UHFFFAOYSA-N 1 2 319.453 1.973 20 70 DDIDLO Cc1noc([C@H]2CCC[N@@H+](CCCS(=O)(=O)C(C)C)C2)n1 ZINC000160963206 408544246 /nfs/dbraw/zinc/54/42/46/408544246.db2.gz WXTNNOBFYRKUIB-ZDUSSCGKSA-N 1 2 315.439 1.771 20 70 DDIDLO Cc1noc([C@H]2CCC[N@H+](CCCS(=O)(=O)C(C)C)C2)n1 ZINC000160963206 408544252 /nfs/dbraw/zinc/54/42/52/408544252.db2.gz WXTNNOBFYRKUIB-ZDUSSCGKSA-N 1 2 315.439 1.771 20 70 DDIDLO CC(C)[C@H](CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000159565692 290759802 /nfs/dbraw/zinc/75/98/02/290759802.db2.gz ASXADNWNFQSOKY-IMJJTQAJSA-N 1 2 310.438 1.465 20 70 DDIDLO C[C@@H]1CCC[C@H](C)N1C(=O)CSCC[NH+]1CCOCC1 ZINC000159760974 290762004 /nfs/dbraw/zinc/76/20/04/290762004.db2.gz RVHAXCRZMKBLHN-OKILXGFUSA-N 1 2 300.468 1.841 20 70 DDIDLO c1cn(CCSc2nnnn2-c2ccc3c(c2)OCO3)c[nH+]1 ZINC000160141786 290767315 /nfs/dbraw/zinc/76/73/15/290767315.db2.gz VGMBOGPDIGDTDK-UHFFFAOYSA-N 1 2 316.346 1.380 20 70 DDIDLO C[C@@H](CNC(=O)NC[C@@]1(C)CCCS1)[NH+]1CCOCC1 ZINC000160228957 354237595 /nfs/dbraw/zinc/23/75/95/354237595.db2.gz XFJYSIDKSHGBLB-GXTWGEPZSA-N 1 2 301.456 1.292 20 70 DDIDLO COC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160230332 197394088 /nfs/dbraw/zinc/39/40/88/197394088.db2.gz NBJNGLFERNVUJV-GWCFXTLKSA-N 1 2 309.341 1.583 20 70 DDIDLO COC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160230332 197394089 /nfs/dbraw/zinc/39/40/89/197394089.db2.gz NBJNGLFERNVUJV-GWCFXTLKSA-N 1 2 309.341 1.583 20 70 DDIDLO CC(=O)c1c[nH]c(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000160096712 197385188 /nfs/dbraw/zinc/38/51/88/197385188.db2.gz DDCJUGWFFCLBDR-UHFFFAOYSA-N 1 2 321.421 1.648 20 70 DDIDLO CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000159702464 408428559 /nfs/dbraw/zinc/42/85/59/408428559.db2.gz ACWQKDKXHJTDGL-NSHDSACASA-N 1 2 320.393 1.080 20 70 DDIDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H](C)CO)cn2c1 ZINC000160570597 408497361 /nfs/dbraw/zinc/49/73/61/408497361.db2.gz ANJJVLPSOBLYRG-GFCCVEGCSA-N 1 2 307.419 1.715 20 70 DDIDLO CC(C)c1nc(NC2CCC(C(=O)NC(N)=O)CC2)cc[nH+]1 ZINC000160826112 408527165 /nfs/dbraw/zinc/52/71/65/408527165.db2.gz LQTIVFRAPXYLQU-UHFFFAOYSA-N 1 2 305.382 1.766 20 70 DDIDLO C[C@H](NC(=O)NCCn1cc[nH+]c1)[C@H](O)Cc1ccccc1 ZINC000160962072 408544853 /nfs/dbraw/zinc/54/48/53/408544853.db2.gz BPXSYSQWXDLEEE-DZGCQCFKSA-N 1 2 302.378 1.174 20 70 DDIDLO CC[C@]1(C)C[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000161000228 408550211 /nfs/dbraw/zinc/55/02/11/408550211.db2.gz XMNVKIVGPIQBFQ-WMLDXEAASA-N 1 2 303.406 1.971 20 70 DDIDLO Cn1cc[nH+]c1CS(=O)(=O)CCCOc1ccc(F)cc1 ZINC000161171086 408569964 /nfs/dbraw/zinc/56/99/64/408569964.db2.gz WWVDBNHXSLCGPC-UHFFFAOYSA-N 1 2 312.366 1.943 20 70 DDIDLO CC(C)CCn1ccc(NC(=O)NCC[NH+]2CCOCC2)n1 ZINC000161207740 408571925 /nfs/dbraw/zinc/57/19/25/408571925.db2.gz VXKURPPWPLYSIW-UHFFFAOYSA-N 1 2 309.414 1.383 20 70 DDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccco4)on3)C[C@@H]21 ZINC000159694651 277130287 /nfs/dbraw/zinc/13/02/87/277130287.db2.gz CFKWAUNHDULNLG-FZMZJTMJSA-N 1 2 303.318 1.090 20 70 DDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccco4)on3)C[C@@H]21 ZINC000159694651 277130289 /nfs/dbraw/zinc/13/02/89/277130289.db2.gz CFKWAUNHDULNLG-FZMZJTMJSA-N 1 2 303.318 1.090 20 70 DDIDLO CS(=O)(=O)CCCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159621340 539218892 /nfs/dbraw/zinc/21/88/92/539218892.db2.gz SJDNJUBZMLBELR-KRWDZBQOSA-N 1 2 323.458 1.985 20 70 DDIDLO CS(=O)(=O)CCCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159621340 539218894 /nfs/dbraw/zinc/21/88/94/539218894.db2.gz SJDNJUBZMLBELR-KRWDZBQOSA-N 1 2 323.458 1.985 20 70 DDIDLO C[C@@H]1C[C@H](C)CN(C(=O)CSCC[NH+]2CCOCC2)C1 ZINC000160011487 290765638 /nfs/dbraw/zinc/76/56/38/290765638.db2.gz BZPPHEVOYPRZHW-OKILXGFUSA-N 1 2 300.468 1.556 20 70 DDIDLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCCC2(C1)OCCO2 ZINC000159925902 248313478 /nfs/dbraw/zinc/31/34/78/248313478.db2.gz DVJLBHHSEVXEFJ-UHFFFAOYSA-N 1 2 314.345 1.246 20 70 DDIDLO CCOc1ccc(CNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000217300831 407501565 /nfs/dbraw/zinc/50/15/65/407501565.db2.gz UBLDSFNSFIOIJL-UHFFFAOYSA-N 1 2 307.394 1.217 20 70 DDIDLO C[C@H](O)C[N@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000159572152 408415300 /nfs/dbraw/zinc/41/53/00/408415300.db2.gz VLWOOMRMTDSHDI-QWRGUYRKSA-N 1 2 302.382 1.571 20 70 DDIDLO C[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000159572152 408415307 /nfs/dbraw/zinc/41/53/07/408415307.db2.gz VLWOOMRMTDSHDI-QWRGUYRKSA-N 1 2 302.382 1.571 20 70 DDIDLO CC[C@@H]1CCCCN1C(=O)CSCC[NH+]1CCOCC1 ZINC000159924187 408443539 /nfs/dbraw/zinc/44/35/39/408443539.db2.gz DZINVGPFYFGAOD-CQSZACIVSA-N 1 2 300.468 1.843 20 70 DDIDLO CCOc1ccccc1C(=O)N1CC[NH+](CC(OC)OC)CC1 ZINC000160611084 408501822 /nfs/dbraw/zinc/50/18/22/408501822.db2.gz CKEZJEUWMDTPMM-UHFFFAOYSA-N 1 2 322.405 1.462 20 70 DDIDLO CN(CCCn1cc[nH+]c1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000160616062 408502405 /nfs/dbraw/zinc/50/24/05/408502405.db2.gz WSZUWZPEKNCOFH-UHFFFAOYSA-N 1 2 310.361 1.626 20 70 DDIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)[nH]1 ZINC000160382954 408476584 /nfs/dbraw/zinc/47/65/84/408476584.db2.gz FEXFMUXTWYERSU-JTQLQIEISA-N 1 2 323.422 1.126 20 70 DDIDLO CCc1noc(C)c1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000161103722 408559276 /nfs/dbraw/zinc/55/92/76/408559276.db2.gz ZDGWORXZLKHARQ-UHFFFAOYSA-N 1 2 319.365 1.229 20 70 DDIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnnn1C ZINC000160891867 408535270 /nfs/dbraw/zinc/53/52/70/408535270.db2.gz YYIKJJLASUBMDA-UHFFFAOYSA-N 1 2 317.393 1.674 20 70 DDIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnnn1C ZINC000160891867 408535277 /nfs/dbraw/zinc/53/52/77/408535277.db2.gz YYIKJJLASUBMDA-UHFFFAOYSA-N 1 2 317.393 1.674 20 70 DDIDLO CCc1ncsc1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000160958789 408542707 /nfs/dbraw/zinc/54/27/07/408542707.db2.gz CUKNESHKAMNRJQ-SNVBAGLBSA-N 1 2 324.475 1.955 20 70 DDIDLO CC(C)N(C)C(=O)C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000216934877 163330898 /nfs/dbraw/zinc/33/08/98/163330898.db2.gz HJANQBCNOZPDFN-UHFFFAOYSA-N 1 2 316.405 1.817 20 70 DDIDLO O=C(NCC[NH+]1CCOCC1)Nc1c(F)cccc1Cl ZINC000217313133 337305577 /nfs/dbraw/zinc/30/55/77/337305577.db2.gz UKWQMKFPLUASHU-UHFFFAOYSA-N 1 2 301.749 1.933 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000216745510 490696915 /nfs/dbraw/zinc/69/69/15/490696915.db2.gz CHOMECIGJUCQFJ-UHFFFAOYSA-N 1 2 300.399 1.786 20 70 DDIDLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159545970 186126555 /nfs/dbraw/zinc/12/65/55/186126555.db2.gz KPJBVPSTRWARHE-UHFFFAOYSA-N 1 2 314.813 1.510 20 70 DDIDLO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159545970 186126557 /nfs/dbraw/zinc/12/65/57/186126557.db2.gz KPJBVPSTRWARHE-UHFFFAOYSA-N 1 2 314.813 1.510 20 70 DDIDLO CCc1cc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)n[nH]1 ZINC000160131531 197387862 /nfs/dbraw/zinc/38/78/62/197387862.db2.gz FAVBOKBRNVQDLJ-UHFFFAOYSA-N 1 2 308.426 1.403 20 70 DDIDLO O=C([C@@H]1CCCO1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000159879251 248313412 /nfs/dbraw/zinc/31/34/12/248313412.db2.gz LNCGWBFPNXIWQQ-AWEZNQCLSA-N 1 2 300.362 1.391 20 70 DDIDLO COC(=O)c1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)oc1C ZINC000159667000 408424278 /nfs/dbraw/zinc/42/42/78/408424278.db2.gz HNCMKMXMIHJLRF-NSHDSACASA-N 1 2 317.345 1.450 20 70 DDIDLO CC1(C)C(=O)NCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000160494329 408489672 /nfs/dbraw/zinc/48/96/72/408489672.db2.gz NNERBVCGNPENKR-UHFFFAOYSA-N 1 2 314.389 1.880 20 70 DDIDLO CC1(C)C(=O)NCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000160494329 408489678 /nfs/dbraw/zinc/48/96/78/408489678.db2.gz NNERBVCGNPENKR-UHFFFAOYSA-N 1 2 314.389 1.880 20 70 DDIDLO C[C@H](CNS(=O)(=O)c1ccccc1F)C[NH+]1CCOCC1 ZINC000160399143 408478453 /nfs/dbraw/zinc/47/84/53/408478453.db2.gz XXBVAAUVEHEVMZ-GFCCVEGCSA-N 1 2 316.398 1.072 20 70 DDIDLO CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1nccs1 ZINC000161080847 408556894 /nfs/dbraw/zinc/55/68/94/408556894.db2.gz DIHWHINICVQZDZ-VXGBXAGGSA-N 1 2 305.407 1.723 20 70 DDIDLO CN(C(=O)CN1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000161140744 408564459 /nfs/dbraw/zinc/56/44/59/408564459.db2.gz WTVRKBQSXHDBMY-UHFFFAOYSA-N 1 2 324.428 1.862 20 70 DDIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OCCO)c(OC)c2)[nH]1 ZINC000160375266 162148656 /nfs/dbraw/zinc/14/86/56/162148656.db2.gz ARFJQODCJVNZEL-NSHDSACASA-N 1 2 320.393 1.598 20 70 DDIDLO O=C(CSCC[NH+]1CCOCC1)NCC(=O)c1ccccc1 ZINC000160031374 408451799 /nfs/dbraw/zinc/45/17/99/408451799.db2.gz IQQPEGYTIIPQQL-UHFFFAOYSA-N 1 2 322.430 1.051 20 70 DDIDLO COCCC[N@H+](CCOC)Cc1nnc(-c2ccccc2)n1C ZINC000160826090 408527657 /nfs/dbraw/zinc/52/76/57/408527657.db2.gz YBFQCTQCYBCIHH-UHFFFAOYSA-N 1 2 318.421 1.967 20 70 DDIDLO COCCC[N@@H+](CCOC)Cc1nnc(-c2ccccc2)n1C ZINC000160826090 408527662 /nfs/dbraw/zinc/52/76/62/408527662.db2.gz YBFQCTQCYBCIHH-UHFFFAOYSA-N 1 2 318.421 1.967 20 70 DDIDLO Cc1cnccc1CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000160850048 408529829 /nfs/dbraw/zinc/52/98/29/408529829.db2.gz MOFTVHWGLTZBGU-GJZGRUSLSA-N 1 2 320.437 1.341 20 70 DDIDLO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1O ZINC000160992650 408547151 /nfs/dbraw/zinc/54/71/51/408547151.db2.gz VVENAPLPLUDJLF-MRXNPFEDSA-N 1 2 320.389 1.224 20 70 DDIDLO C[C@@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161185294 408568552 /nfs/dbraw/zinc/56/85/52/408568552.db2.gz KEAWGEFHSFEGIM-GFCCVEGCSA-N 1 2 321.402 1.212 20 70 DDIDLO O=C(NC[C@@H](O)c1cccc(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160747562 526488425 /nfs/dbraw/zinc/48/84/25/526488425.db2.gz BTFUJHQODABNAB-TZMCWYRMSA-N 1 2 303.337 1.434 20 70 DDIDLO CC[C@H]1CCCCN1C(=O)CSCC[NH+]1CCOCC1 ZINC000159924313 290764525 /nfs/dbraw/zinc/76/45/25/290764525.db2.gz DZINVGPFYFGAOD-AWEZNQCLSA-N 1 2 300.468 1.843 20 70 DDIDLO C[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000160267919 290769080 /nfs/dbraw/zinc/76/90/80/290769080.db2.gz ALRASGQGWACUOA-HNNXBMFYSA-N 1 2 317.433 1.789 20 70 DDIDLO CCC[C@H](C)CS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160381599 290771605 /nfs/dbraw/zinc/77/16/05/290771605.db2.gz FUROOWQGAHPTSI-KBPBESRZSA-N 1 2 306.472 1.310 20 70 DDIDLO COC(=O)CC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000160169986 197390374 /nfs/dbraw/zinc/39/03/74/197390374.db2.gz YVNWWTIHEAKQCR-UHFFFAOYSA-N 1 2 324.328 1.242 20 70 DDIDLO CC(C)CCn1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000160101114 197385133 /nfs/dbraw/zinc/38/51/33/197385133.db2.gz UHJBPRFJIUASFZ-ZDUSSCGKSA-N 1 2 309.414 1.381 20 70 DDIDLO CC(C)CCn1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000160101114 197385134 /nfs/dbraw/zinc/38/51/34/197385134.db2.gz UHJBPRFJIUASFZ-ZDUSSCGKSA-N 1 2 309.414 1.381 20 70 DDIDLO C[C@H](NC(=O)CSCC[NH+]1CCOCC1)c1cccs1 ZINC000159840952 197368069 /nfs/dbraw/zinc/36/80/69/197368069.db2.gz ACHOEUYGVKLIJG-LBPRGKRZSA-N 1 2 314.476 1.991 20 70 DDIDLO CCC(CC)CNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000160588937 408501056 /nfs/dbraw/zinc/50/10/56/408501056.db2.gz HOKRSUVBMOXHBR-MRXNPFEDSA-N 1 2 310.486 1.844 20 70 DDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000160317610 408470614 /nfs/dbraw/zinc/47/06/14/408470614.db2.gz XWBDQBLPIZMPBP-AWEZNQCLSA-N 1 2 304.781 1.975 20 70 DDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000160317610 408470620 /nfs/dbraw/zinc/47/06/20/408470620.db2.gz XWBDQBLPIZMPBP-AWEZNQCLSA-N 1 2 304.781 1.975 20 70 DDIDLO Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2[nH+]ccn2C)c1 ZINC000161180793 408568538 /nfs/dbraw/zinc/56/85/38/408568538.db2.gz OYWGPEGOENLKTN-GFCCVEGCSA-N 1 2 321.402 1.671 20 70 DDIDLO C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161193915 408570594 /nfs/dbraw/zinc/57/05/94/408570594.db2.gz LRWPZZSTKXJHSB-NSHDSACASA-N 1 2 313.423 1.172 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000159753871 186139565 /nfs/dbraw/zinc/13/95/65/186139565.db2.gz PIOOHGSNIHHLBS-UHFFFAOYSA-N 1 2 324.446 1.682 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1(C)CCCS1 ZINC000160315554 197399717 /nfs/dbraw/zinc/39/97/17/197399717.db2.gz RZIWMZPLZZDPGH-OCCSQVGLSA-N 1 2 301.456 1.292 20 70 DDIDLO Cc1ccccc1CNC(=O)CSCC[NH+]1CCOCC1 ZINC000159971936 197376894 /nfs/dbraw/zinc/37/68/94/197376894.db2.gz LIWSAMAXFKJQGC-UHFFFAOYSA-N 1 2 308.447 1.677 20 70 DDIDLO Cc1ccc(C)c([C@@H](C)N(C)C(=O)CN2CC[NH2+]CC2=O)c1 ZINC000159971814 408448344 /nfs/dbraw/zinc/44/83/44/408448344.db2.gz AJJIIWNNNMWQHN-CQSZACIVSA-N 1 2 303.406 1.255 20 70 DDIDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CC(C)(CO)CO)c1C ZINC000159570485 408417288 /nfs/dbraw/zinc/41/72/88/408417288.db2.gz ZWAJQOGNXYVDOU-LBPRGKRZSA-N 1 2 324.421 1.328 20 70 DDIDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CC(C)(CO)CO)c1C ZINC000159570485 408417291 /nfs/dbraw/zinc/41/72/91/408417291.db2.gz ZWAJQOGNXYVDOU-LBPRGKRZSA-N 1 2 324.421 1.328 20 70 DDIDLO CNC(=O)c1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161435694 408602263 /nfs/dbraw/zinc/60/22/63/408602263.db2.gz WSISQDYMFTXKLK-HNNXBMFYSA-N 1 2 324.384 1.450 20 70 DDIDLO CCOC(=O)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000160355405 520834496 /nfs/dbraw/zinc/83/44/96/520834496.db2.gz CESSKXRXRBNRLV-GFCCVEGCSA-N 1 2 301.346 1.944 20 70 DDIDLO CO[C@@](C)(C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160426779 523791921 /nfs/dbraw/zinc/79/19/21/523791921.db2.gz LDHHLGOMTWBODU-FUHWJXTLSA-N 1 2 318.417 1.528 20 70 DDIDLO CO[C@@](C)(C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160426779 523791924 /nfs/dbraw/zinc/79/19/24/523791924.db2.gz LDHHLGOMTWBODU-FUHWJXTLSA-N 1 2 318.417 1.528 20 70 DDIDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3nncn3C)CC2)s1 ZINC000160882791 290778106 /nfs/dbraw/zinc/77/81/06/290778106.db2.gz QCHHETWCZMRSNN-UHFFFAOYSA-N 1 2 319.434 1.579 20 70 DDIDLO O=c1nc(CSCC[NH+]2CCOCC2)[nH]c2ccsc21 ZINC000159763308 197362789 /nfs/dbraw/zinc/36/27/89/197362789.db2.gz BMFGUNMNVOWHMD-UHFFFAOYSA-N 1 2 311.432 1.550 20 70 DDIDLO O=C(Nc1c(F)cccc1Cl)N1CC[NH+](CCO)CC1 ZINC000217313175 407502114 /nfs/dbraw/zinc/50/21/14/407502114.db2.gz XDXRZOUYXLXOGZ-UHFFFAOYSA-N 1 2 301.749 1.621 20 70 DDIDLO CC(=O)N1CC[C@@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000159424025 408408589 /nfs/dbraw/zinc/40/85/89/408408589.db2.gz PMEPZLJUTVHKNM-CQSZACIVSA-N 1 2 312.373 1.531 20 70 DDIDLO NC(=O)c1cnc(N2CCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000160426852 408480717 /nfs/dbraw/zinc/48/07/17/408480717.db2.gz LSFOWMIMICDNSY-LBPRGKRZSA-N 1 2 324.812 1.135 20 70 DDIDLO COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1O ZINC000160992532 408546789 /nfs/dbraw/zinc/54/67/89/408546789.db2.gz VVENAPLPLUDJLF-INIZCTEOSA-N 1 2 320.389 1.224 20 70 DDIDLO CN(C)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161093471 408559139 /nfs/dbraw/zinc/55/91/39/408559139.db2.gz WMHWQIWPTZAORS-QWHCGFSZSA-N 1 2 316.323 1.901 20 70 DDIDLO CN(C)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161093471 408559145 /nfs/dbraw/zinc/55/91/45/408559145.db2.gz WMHWQIWPTZAORS-QWHCGFSZSA-N 1 2 316.323 1.901 20 70 DDIDLO CC[N@H+](CC(=O)NCc1ccccc1F)Cc1cnn(C)c1 ZINC000161096702 408559419 /nfs/dbraw/zinc/55/94/19/408559419.db2.gz MXVWPAFSSTVMPW-UHFFFAOYSA-N 1 2 304.369 1.698 20 70 DDIDLO CC[N@@H+](CC(=O)NCc1ccccc1F)Cc1cnn(C)c1 ZINC000161096702 408559422 /nfs/dbraw/zinc/55/94/22/408559422.db2.gz MXVWPAFSSTVMPW-UHFFFAOYSA-N 1 2 304.369 1.698 20 70 DDIDLO COC[C@H](O)CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000161243614 408576060 /nfs/dbraw/zinc/57/60/60/408576060.db2.gz ZKWQMIDMKRPZPF-CYBMUJFWSA-N 1 2 303.362 1.308 20 70 DDIDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[C@H]3O)cn2c1 ZINC000161236332 408576548 /nfs/dbraw/zinc/57/65/48/408576548.db2.gz KXHDZDJPFLTIHM-ZIAGYGMSSA-N 1 2 319.430 1.906 20 70 DDIDLO COC(C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1)OC ZINC000161266417 408579194 /nfs/dbraw/zinc/57/91/94/408579194.db2.gz DWEFYABZOLTEPF-UHFFFAOYSA-N 1 2 319.405 1.345 20 70 DDIDLO COC(C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1)OC ZINC000161266417 408579196 /nfs/dbraw/zinc/57/91/96/408579196.db2.gz DWEFYABZOLTEPF-UHFFFAOYSA-N 1 2 319.405 1.345 20 70 DDIDLO CC1CCN(C(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CC1 ZINC000161415921 408600372 /nfs/dbraw/zinc/60/03/72/408600372.db2.gz QDTHURLJWLEUCR-AWEZNQCLSA-N 1 2 322.371 1.880 20 70 DDIDLO Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000161453231 408606028 /nfs/dbraw/zinc/60/60/28/408606028.db2.gz CHZQUAMJUBQKAQ-CABCVRRESA-N 1 2 313.405 1.814 20 70 DDIDLO CS[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000216931846 484141421 /nfs/dbraw/zinc/14/14/21/484141421.db2.gz ASLSUUAHQVVKLX-ZFWWWQNUSA-N 1 2 308.447 1.616 20 70 DDIDLO O=C(N[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161025933 354241989 /nfs/dbraw/zinc/24/19/89/354241989.db2.gz OCIAJIKQLHVLPX-MNOVXSKESA-N 1 2 316.327 1.198 20 70 DDIDLO C[C@@H](CCO)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000160123943 197386903 /nfs/dbraw/zinc/38/69/03/197386903.db2.gz WJYSDGFDEHJQMB-GXFFZTMASA-N 1 2 315.364 1.638 20 70 DDIDLO Cc1noc(C)c1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159377450 197348269 /nfs/dbraw/zinc/34/82/69/197348269.db2.gz GBYNMAYZXDTYHX-LBPRGKRZSA-N 1 2 322.390 1.244 20 70 DDIDLO COCCC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000159362679 197347703 /nfs/dbraw/zinc/34/77/03/197347703.db2.gz DVAPGKYDUJZSHB-UHFFFAOYSA-N 1 2 317.433 1.933 20 70 DDIDLO CCOC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000159377876 408402165 /nfs/dbraw/zinc/40/21/65/408402165.db2.gz LQVJAAUGVGDTRZ-ZDUSSCGKSA-N 1 2 305.378 1.604 20 70 DDIDLO CCOC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000159377876 408402170 /nfs/dbraw/zinc/40/21/70/408402170.db2.gz LQVJAAUGVGDTRZ-ZDUSSCGKSA-N 1 2 305.378 1.604 20 70 DDIDLO CC(C)(C(N)=O)c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000159908120 408444700 /nfs/dbraw/zinc/44/47/00/408444700.db2.gz WEMCWBZTXYYPCO-UHFFFAOYSA-N 1 2 315.377 1.468 20 70 DDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCN(c3ccc(O)cc3)CC2)n1 ZINC000160474179 408487691 /nfs/dbraw/zinc/48/76/91/408487691.db2.gz PLBPNABHEALGGL-UHFFFAOYSA-N 1 2 314.389 1.772 20 70 DDIDLO Cc1nc(COc2ccc(C[N@@H+]3CCNC(=O)C3)cc2)cs1 ZINC000160490798 408489781 /nfs/dbraw/zinc/48/97/81/408489781.db2.gz KQWQVUQBXRMSPW-UHFFFAOYSA-N 1 2 317.414 1.962 20 70 DDIDLO Cc1nc(COc2ccc(C[N@H+]3CCNC(=O)C3)cc2)cs1 ZINC000160490798 408489786 /nfs/dbraw/zinc/48/97/86/408489786.db2.gz KQWQVUQBXRMSPW-UHFFFAOYSA-N 1 2 317.414 1.962 20 70 DDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)n1 ZINC000160611022 408502065 /nfs/dbraw/zinc/50/20/65/408502065.db2.gz NGWYSBUJBMPWDB-UHFFFAOYSA-N 1 2 318.421 1.579 20 70 DDIDLO Cn1cnnc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000160838735 408529623 /nfs/dbraw/zinc/52/96/23/408529623.db2.gz PEACMTKENRPMAP-UHFFFAOYSA-N 1 2 314.393 1.601 20 70 DDIDLO COCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)o1 ZINC000160965121 408545256 /nfs/dbraw/zinc/54/52/56/408545256.db2.gz JTMMVLVXDODNCL-OAHLLOKOSA-N 1 2 308.378 1.249 20 70 DDIDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCC[C@@H]3O)cn2c1 ZINC000161236197 408577669 /nfs/dbraw/zinc/57/76/69/408577669.db2.gz KXHDZDJPFLTIHM-KBPBESRZSA-N 1 2 319.430 1.906 20 70 DDIDLO COC(=O)CN(Cc1c[nH+]c2ccccn12)C1CCOCC1 ZINC000160892800 408536546 /nfs/dbraw/zinc/53/65/46/408536546.db2.gz FXHDESBIPACTOA-UHFFFAOYSA-N 1 2 303.362 1.488 20 70 DDIDLO COC(=O)C[N@H+](Cc1cnc2ccccn12)C1CCOCC1 ZINC000160892800 408536551 /nfs/dbraw/zinc/53/65/51/408536551.db2.gz FXHDESBIPACTOA-UHFFFAOYSA-N 1 2 303.362 1.488 20 70 DDIDLO COC(=O)C[N@@H+](Cc1cnc2ccccn12)C1CCOCC1 ZINC000160892800 408536555 /nfs/dbraw/zinc/53/65/55/408536555.db2.gz FXHDESBIPACTOA-UHFFFAOYSA-N 1 2 303.362 1.488 20 70 DDIDLO COCC[NH+]1CCN(C(=O)c2cnc(-c3ccco3)s2)CC1 ZINC000217175309 484144662 /nfs/dbraw/zinc/14/46/62/484144662.db2.gz GZBJGGBZKXFVEM-UHFFFAOYSA-N 1 2 321.402 1.807 20 70 DDIDLO COc1cccc2c1CC[C@@H]2NC(=O)NCC[NH+]1CCOCC1 ZINC000160276875 290769933 /nfs/dbraw/zinc/76/99/33/290769933.db2.gz ZKFQCDWHYVZNKM-HNNXBMFYSA-N 1 2 319.405 1.314 20 70 DDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000160768039 354240837 /nfs/dbraw/zinc/24/08/37/354240837.db2.gz VXBDAVDMRCIANB-UHFFFAOYSA-N 1 2 320.343 1.656 20 70 DDIDLO CC(C)(C)C[C@H](CO)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000161434225 197494671 /nfs/dbraw/zinc/49/46/71/197494671.db2.gz NTAANKZLMZLWCI-UONOGXRCSA-N 1 2 322.453 1.894 20 70 DDIDLO CC(C)(C)C[C@H](CO)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000161434225 197494673 /nfs/dbraw/zinc/49/46/73/197494673.db2.gz NTAANKZLMZLWCI-UONOGXRCSA-N 1 2 322.453 1.894 20 70 DDIDLO CCc1nnc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)[nH]1 ZINC000160283697 197397488 /nfs/dbraw/zinc/39/74/88/197397488.db2.gz ZUPBWAFEMWIWRW-OAHLLOKOSA-N 1 2 315.421 1.530 20 70 DDIDLO COCC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159505588 197359098 /nfs/dbraw/zinc/35/90/98/197359098.db2.gz NVYQXVOBVYBUPX-UHFFFAOYSA-N 1 2 320.433 1.882 20 70 DDIDLO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000159566129 162148224 /nfs/dbraw/zinc/14/82/24/162148224.db2.gz ZWPDEJQGWVPGBW-AWEZNQCLSA-N 1 2 322.453 1.928 20 70 DDIDLO Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000159566129 162148227 /nfs/dbraw/zinc/14/82/27/162148227.db2.gz ZWPDEJQGWVPGBW-AWEZNQCLSA-N 1 2 322.453 1.928 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000159565062 162148818 /nfs/dbraw/zinc/14/88/18/162148818.db2.gz YYSYILHMUZVUHR-UHFFFAOYSA-N 1 2 311.426 1.646 20 70 DDIDLO CCc1nnc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)[nH]1 ZINC000159444386 408407723 /nfs/dbraw/zinc/40/77/23/408407723.db2.gz AKUDUBLKDMVDAO-DGCLKSJQSA-N 1 2 303.410 1.342 20 70 DDIDLO CCc1nnc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)[nH]1 ZINC000159444386 408407727 /nfs/dbraw/zinc/40/77/27/408407727.db2.gz AKUDUBLKDMVDAO-DGCLKSJQSA-N 1 2 303.410 1.342 20 70 DDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1ccc(F)cc1 ZINC000161183630 408569535 /nfs/dbraw/zinc/56/95/35/408569535.db2.gz MMVBGMWQFMXPMT-UHFFFAOYSA-N 1 2 311.338 1.113 20 70 DDIDLO COc1ccccc1NCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160390029 524637114 /nfs/dbraw/zinc/63/71/14/524637114.db2.gz LPUYVAMJUHCIKQ-AWEZNQCLSA-N 1 2 319.405 1.087 20 70 DDIDLO COc1ccccc1NCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160390029 524637118 /nfs/dbraw/zinc/63/71/18/524637118.db2.gz LPUYVAMJUHCIKQ-AWEZNQCLSA-N 1 2 319.405 1.087 20 70 DDIDLO C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cscn1 ZINC000159644747 186132363 /nfs/dbraw/zinc/13/23/63/186132363.db2.gz NBBMOWDWQWJSHE-UHFFFAOYSA-N 1 2 308.407 1.440 20 70 DDIDLO C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cscn1 ZINC000159644747 186132365 /nfs/dbraw/zinc/13/23/65/186132365.db2.gz NBBMOWDWQWJSHE-UHFFFAOYSA-N 1 2 308.407 1.440 20 70 DDIDLO NC(=O)CC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000159724224 186137547 /nfs/dbraw/zinc/13/75/47/186137547.db2.gz UVOAFVQIXFVIMW-UHFFFAOYSA-N 1 2 304.390 1.935 20 70 DDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000160766124 354240646 /nfs/dbraw/zinc/24/06/46/354240646.db2.gz APENALRNBPAXAQ-UHFFFAOYSA-N 1 2 302.353 1.517 20 70 DDIDLO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)s1 ZINC000160408090 197407287 /nfs/dbraw/zinc/40/72/87/197407287.db2.gz VKRGWQYPRNCIOG-NSHDSACASA-N 1 2 318.464 1.303 20 70 DDIDLO COC(=O)C1([N@H+](C)CC(=O)NCc2ccc(F)cc2)CCCC1 ZINC000159371789 197349022 /nfs/dbraw/zinc/34/90/22/197349022.db2.gz VHNPXIVSJRUORD-UHFFFAOYSA-N 1 2 322.380 1.860 20 70 DDIDLO COC(=O)C1([N@@H+](C)CC(=O)NCc2ccc(F)cc2)CCCC1 ZINC000159371789 197349024 /nfs/dbraw/zinc/34/90/24/197349024.db2.gz VHNPXIVSJRUORD-UHFFFAOYSA-N 1 2 322.380 1.860 20 70 DDIDLO CC(C)CN(CC(N)=O)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000159688426 408425419 /nfs/dbraw/zinc/42/54/19/408425419.db2.gz BBJQAXCKIZGZJL-UHFFFAOYSA-N 1 2 309.435 1.076 20 70 DDIDLO CC(C)CN(CC(N)=O)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000159688426 408425425 /nfs/dbraw/zinc/42/54/25/408425425.db2.gz BBJQAXCKIZGZJL-UHFFFAOYSA-N 1 2 309.435 1.076 20 70 DDIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](Cc3cc(C)no3)CC2)n1 ZINC000160604307 408502093 /nfs/dbraw/zinc/50/20/93/408502093.db2.gz MGVOGXJDGURWML-UHFFFAOYSA-N 1 2 317.393 1.359 20 70 DDIDLO CC(C)n1nccc1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000160845539 408529787 /nfs/dbraw/zinc/52/97/87/408529787.db2.gz VBBLCFNNMFUQQU-LBPRGKRZSA-N 1 2 321.450 1.713 20 70 DDIDLO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3OCC[C@H]3C)CC2)cn1 ZINC000160344301 408473491 /nfs/dbraw/zinc/47/34/91/408473491.db2.gz AYTSCOFBQMADQR-GDBMZVCRSA-N 1 2 320.437 1.362 20 70 DDIDLO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3OCC[C@H]3C)CC2)cn1 ZINC000160344301 408473497 /nfs/dbraw/zinc/47/34/97/408473497.db2.gz AYTSCOFBQMADQR-GDBMZVCRSA-N 1 2 320.437 1.362 20 70 DDIDLO CCS(=O)(=O)C[C@H](C)N(C)Cc1c(C)[nH+]c2ccccn21 ZINC000160397899 408478126 /nfs/dbraw/zinc/47/81/26/408478126.db2.gz SBJOTSDOUMKUAZ-LBPRGKRZSA-N 1 2 309.435 1.898 20 70 DDIDLO CCc1ccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161184628 408569811 /nfs/dbraw/zinc/56/98/11/408569811.db2.gz NBPFYPGRVHJZNL-UHFFFAOYSA-N 1 2 321.402 1.536 20 70 DDIDLO C[C@@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161189152 408572363 /nfs/dbraw/zinc/57/23/63/408572363.db2.gz XIAKDOCRSWLHOO-TXEJJXNPSA-N 1 2 313.423 1.124 20 70 DDIDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161222350 408577020 /nfs/dbraw/zinc/57/70/20/408577020.db2.gz WHPVQBYLWADWBI-CQSZACIVSA-N 1 2 304.438 1.502 20 70 DDIDLO C[C@H](C(=O)NC(C)(C)C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161222350 408577023 /nfs/dbraw/zinc/57/70/23/408577023.db2.gz WHPVQBYLWADWBI-CQSZACIVSA-N 1 2 304.438 1.502 20 70 DDIDLO Cc1cc(C[C@H](C)NC(=O)C[N@@H+]2CCc3sccc3C2)[nH]n1 ZINC000161263868 408579240 /nfs/dbraw/zinc/57/92/40/408579240.db2.gz ODAHDKAXQVJNSS-NSHDSACASA-N 1 2 318.446 1.885 20 70 DDIDLO Cc1cc(C[C@H](C)NC(=O)C[N@H+]2CCc3sccc3C2)[nH]n1 ZINC000161263868 408579242 /nfs/dbraw/zinc/57/92/42/408579242.db2.gz ODAHDKAXQVJNSS-NSHDSACASA-N 1 2 318.446 1.885 20 70 DDIDLO Cc1cnn([C@H]2CCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000161453459 408604654 /nfs/dbraw/zinc/60/46/54/408604654.db2.gz CHZQUAMJUBQKAQ-GJZGRUSLSA-N 1 2 313.405 1.814 20 70 DDIDLO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000159566253 408416685 /nfs/dbraw/zinc/41/66/85/408416685.db2.gz ZWPDEJQGWVPGBW-CQSZACIVSA-N 1 2 322.453 1.928 20 70 DDIDLO Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000159566253 408416689 /nfs/dbraw/zinc/41/66/89/408416689.db2.gz ZWPDEJQGWVPGBW-CQSZACIVSA-N 1 2 322.453 1.928 20 70 DDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NCC(F)(F)F ZINC000159767433 408433645 /nfs/dbraw/zinc/43/36/45/408433645.db2.gz DGCHMFDCUCSURY-SECBINFHSA-N 1 2 300.346 1.119 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(O)CC3)c2c1 ZINC000160499988 408487970 /nfs/dbraw/zinc/48/79/70/408487970.db2.gz XICKXGMYYSOUBJ-UHFFFAOYSA-N 1 2 316.357 1.594 20 70 DDIDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CCCCO1 ZINC000160338443 408473967 /nfs/dbraw/zinc/47/39/67/408473967.db2.gz XZINEXCHLSLNJI-DLBZAZTESA-N 1 2 318.417 1.745 20 70 DDIDLO Cc1cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1F ZINC000160995564 408548299 /nfs/dbraw/zinc/54/82/99/408548299.db2.gz RXTMTKQPVZOMFJ-MRXNPFEDSA-N 1 2 306.381 1.957 20 70 DDIDLO C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161030155 408552802 /nfs/dbraw/zinc/55/28/02/408552802.db2.gz BBGHGVDKWXKBSM-DZGCQCFKSA-N 1 2 304.394 1.086 20 70 DDIDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161188559 408572387 /nfs/dbraw/zinc/57/23/87/408572387.db2.gz WKKULMARWSGTEQ-MRXNPFEDSA-N 1 2 316.449 1.600 20 70 DDIDLO C[C@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161188559 408572392 /nfs/dbraw/zinc/57/23/92/408572392.db2.gz WKKULMARWSGTEQ-MRXNPFEDSA-N 1 2 316.449 1.600 20 70 DDIDLO CC(C)CNC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161223252 408575993 /nfs/dbraw/zinc/57/59/93/408575993.db2.gz ARJNEDDAGURZHY-OAHLLOKOSA-N 1 2 304.438 1.360 20 70 DDIDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161223252 408575997 /nfs/dbraw/zinc/57/59/97/408575997.db2.gz ARJNEDDAGURZHY-OAHLLOKOSA-N 1 2 304.438 1.360 20 70 DDIDLO CCC[N@@H+]1CCCN(C(=O)CS(=O)(=O)CC(C)C)CC1 ZINC000160380585 519848524 /nfs/dbraw/zinc/84/85/24/519848524.db2.gz RRYHDVVFGDGZRH-UHFFFAOYSA-N 1 2 304.456 1.002 20 70 DDIDLO CCC[N@H+]1CCCN(C(=O)CS(=O)(=O)CC(C)C)CC1 ZINC000160380585 519848526 /nfs/dbraw/zinc/84/85/26/519848526.db2.gz RRYHDVVFGDGZRH-UHFFFAOYSA-N 1 2 304.456 1.002 20 70 DDIDLO O=C(Cc1cc[nH]n1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161377623 539221653 /nfs/dbraw/zinc/22/16/53/539221653.db2.gz ZYCFRSMTMLOMLB-UHFFFAOYSA-N 1 2 318.808 1.950 20 70 DDIDLO O=C(NCCn1cc[nH+]c1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160208182 197392899 /nfs/dbraw/zinc/39/28/99/197392899.db2.gz RSUBPJFDLBSKLD-OAHLLOKOSA-N 1 2 316.361 1.873 20 70 DDIDLO COc1ccccc1CNC(=O)CSCC[NH+]1CCOCC1 ZINC000159838698 197368156 /nfs/dbraw/zinc/36/81/56/197368156.db2.gz YRCNXHNOUZLUEE-UHFFFAOYSA-N 1 2 324.446 1.377 20 70 DDIDLO COCCOc1cccc(CC(=O)NCCn2cc[nH+]c2)c1 ZINC000160022569 408452082 /nfs/dbraw/zinc/45/20/82/408452082.db2.gz KSWWMCZWMIISBA-UHFFFAOYSA-N 1 2 303.362 1.267 20 70 DDIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)[nH]1 ZINC000160383074 408475569 /nfs/dbraw/zinc/47/55/69/408475569.db2.gz FEXFMUXTWYERSU-SNVBAGLBSA-N 1 2 323.422 1.126 20 70 DDIDLO CC[N@H+](CC(=O)NCCOc1ccccc1)Cc1cnn(C)c1 ZINC000161092557 408560185 /nfs/dbraw/zinc/56/01/85/408560185.db2.gz ZMJAMXAKKPKWHG-UHFFFAOYSA-N 1 2 316.405 1.437 20 70 DDIDLO CC[N@@H+](CC(=O)NCCOc1ccccc1)Cc1cnn(C)c1 ZINC000161092557 408560191 /nfs/dbraw/zinc/56/01/91/408560191.db2.gz ZMJAMXAKKPKWHG-UHFFFAOYSA-N 1 2 316.405 1.437 20 70 DDIDLO CCC(=O)N1CC[C@@H](C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000161142661 408563394 /nfs/dbraw/zinc/56/33/94/408563394.db2.gz XXJBITLKEYRMCA-OLZOCXBDSA-N 1 2 304.394 1.722 20 70 DDIDLO CCn1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000160360917 536086323 /nfs/dbraw/zinc/08/63/23/536086323.db2.gz KJPOLEIOYUCOLH-GFCCVEGCSA-N 1 2 300.366 1.698 20 70 DDIDLO Cc1ncc(Cl)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000161394792 539221521 /nfs/dbraw/zinc/22/15/21/539221521.db2.gz RXJSRCWXPSLISK-NSHDSACASA-N 1 2 317.780 1.842 20 70 DDIDLO CN(CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000161387046 539221731 /nfs/dbraw/zinc/22/17/31/539221731.db2.gz HHCHUKIMWFQZLW-HNNXBMFYSA-N 1 2 310.401 1.913 20 70 DDIDLO CCCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000159713640 186136763 /nfs/dbraw/zinc/13/67/63/186136763.db2.gz GLSXLTUPCOPDII-UHFFFAOYSA-N 1 2 320.393 1.081 20 70 DDIDLO C[C@]1(O)CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000160096922 197385507 /nfs/dbraw/zinc/38/55/07/197385507.db2.gz YPMUEBRXZZWZDD-INIZCTEOSA-N 1 2 302.378 1.433 20 70 DDIDLO C[C@@H](C1CC1)N(C(=O)CSCC[NH+]1CCOCC1)C1CC1 ZINC000159991081 408450413 /nfs/dbraw/zinc/45/04/13/408450413.db2.gz LHBGHPZXBLUYQL-ZDUSSCGKSA-N 1 2 312.479 1.841 20 70 DDIDLO Cc1[nH]ncc1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159465872 408410375 /nfs/dbraw/zinc/41/03/75/408410375.db2.gz NJAZQVHGXURMFG-CYBMUJFWSA-N 1 2 300.428 1.012 20 70 DDIDLO Cc1[nH]ncc1C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159465872 408410377 /nfs/dbraw/zinc/41/03/77/408410377.db2.gz NJAZQVHGXURMFG-CYBMUJFWSA-N 1 2 300.428 1.012 20 70 DDIDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000160319021 408469989 /nfs/dbraw/zinc/46/99/89/408469989.db2.gz XYPWNYBLUQCLQU-NSHDSACASA-N 1 2 300.305 1.746 20 70 DDIDLO COc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000160319021 408469991 /nfs/dbraw/zinc/46/99/91/408469991.db2.gz XYPWNYBLUQCLQU-NSHDSACASA-N 1 2 300.305 1.746 20 70 DDIDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1CCCCO1 ZINC000160338213 408474033 /nfs/dbraw/zinc/47/40/33/408474033.db2.gz XZINEXCHLSLNJI-IRXDYDNUSA-N 1 2 318.417 1.745 20 70 DDIDLO COC(C[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1)OC ZINC000161502133 408609895 /nfs/dbraw/zinc/60/98/95/408609895.db2.gz BRFVYMDKRSETRE-NEPJUHHUSA-N 1 2 301.408 1.491 20 70 DDIDLO COC(C[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1)OC ZINC000161502133 408609898 /nfs/dbraw/zinc/60/98/98/408609898.db2.gz BRFVYMDKRSETRE-NEPJUHHUSA-N 1 2 301.408 1.491 20 70 DDIDLO COc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1O ZINC000159693935 522431106 /nfs/dbraw/zinc/43/11/06/522431106.db2.gz RAGRKDVTEMVFNF-LBPRGKRZSA-N 1 2 301.346 1.476 20 70 DDIDLO CCCCn1ncc(NC(=O)NCC[NH+]2CCOCC2)c1C ZINC000160117553 408456410 /nfs/dbraw/zinc/45/64/10/408456410.db2.gz BEKFJXYZZKZMOY-UHFFFAOYSA-N 1 2 309.414 1.445 20 70 DDIDLO O=C1[C@H](SCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC000159773680 408433099 /nfs/dbraw/zinc/43/30/99/408433099.db2.gz UTHOOOZIVJVDCA-SNVBAGLBSA-N 1 2 312.357 1.215 20 70 DDIDLO CC[N@@H+]1CCO[C@H](C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000160419087 408481405 /nfs/dbraw/zinc/48/14/05/408481405.db2.gz PAWSOMMJKHERET-ZDUSSCGKSA-N 1 2 302.378 1.208 20 70 DDIDLO CC[N@H+]1CCO[C@H](C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000160419087 408481413 /nfs/dbraw/zinc/48/14/13/408481413.db2.gz PAWSOMMJKHERET-ZDUSSCGKSA-N 1 2 302.378 1.208 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160596324 408502818 /nfs/dbraw/zinc/50/28/18/408502818.db2.gz AQMQMBAXEUNYSM-LNSITVRQSA-N 1 2 324.371 1.905 20 70 DDIDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1c[nH]nc1C ZINC000160238296 408465089 /nfs/dbraw/zinc/46/50/89/408465089.db2.gz GMONCQPYPZOUJD-UHFFFAOYSA-N 1 2 304.369 1.996 20 70 DDIDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1c[nH]nc1C ZINC000160238296 408465094 /nfs/dbraw/zinc/46/50/94/408465094.db2.gz GMONCQPYPZOUJD-UHFFFAOYSA-N 1 2 304.369 1.996 20 70 DDIDLO O=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)NC1CCCCC1 ZINC000160990916 408546778 /nfs/dbraw/zinc/54/67/78/408546778.db2.gz DKUODULTCXNIEB-LBPRGKRZSA-N 1 2 304.394 1.011 20 70 DDIDLO C[C@@]1(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCOC1 ZINC000161435365 408602126 /nfs/dbraw/zinc/60/21/26/408602126.db2.gz HVONRLOKMVSODD-QGZVFWFLSA-N 1 2 319.405 1.819 20 70 DDIDLO CC(C)(C)c1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)[nH]n1 ZINC000160429117 518994533 /nfs/dbraw/zinc/99/45/33/518994533.db2.gz MCRKAPHFLXXUEF-LBPRGKRZSA-N 1 2 306.410 1.300 20 70 DDIDLO CC(C)(C)c1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)[nH]n1 ZINC000160429117 518994540 /nfs/dbraw/zinc/99/45/40/518994540.db2.gz MCRKAPHFLXXUEF-LBPRGKRZSA-N 1 2 306.410 1.300 20 70 DDIDLO CC(C)CC(=O)NCCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000160484608 519592744 /nfs/dbraw/zinc/59/27/44/519592744.db2.gz HQMYITOXANHBRB-UHFFFAOYSA-N 1 2 306.410 1.316 20 70 DDIDLO Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)cc1Cl ZINC000159532907 186125678 /nfs/dbraw/zinc/12/56/78/186125678.db2.gz BSCDXPJCNOARHG-UHFFFAOYSA-N 1 2 314.813 1.510 20 70 DDIDLO Cc1ccc(NC(=O)C[N@H+](C)CC(C)(CO)CO)cc1Cl ZINC000159532907 186125680 /nfs/dbraw/zinc/12/56/80/186125680.db2.gz BSCDXPJCNOARHG-UHFFFAOYSA-N 1 2 314.813 1.510 20 70 DDIDLO C[C@@H](O)C[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159454998 197354833 /nfs/dbraw/zinc/35/48/33/197354833.db2.gz JAFVRPTWBHHRLY-HQJQHLMTSA-N 1 2 319.174 1.427 20 70 DDIDLO C[C@@H](O)C[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159454998 197354835 /nfs/dbraw/zinc/35/48/35/197354835.db2.gz JAFVRPTWBHHRLY-HQJQHLMTSA-N 1 2 319.174 1.427 20 70 DDIDLO O=C(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCOCC1 ZINC000159615296 408422304 /nfs/dbraw/zinc/42/23/04/408422304.db2.gz DGNAHADXWZQNHC-GOSISDBHSA-N 1 2 316.401 1.019 20 70 DDIDLO O=C(C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCOCC1 ZINC000159615296 408422310 /nfs/dbraw/zinc/42/23/10/408422310.db2.gz DGNAHADXWZQNHC-GOSISDBHSA-N 1 2 316.401 1.019 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1coc2ccccc12 ZINC000159844057 408437600 /nfs/dbraw/zinc/43/76/00/408437600.db2.gz SBRPFQZFQNWSQI-ZDUSSCGKSA-N 1 2 302.330 1.296 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1coc2ccccc12 ZINC000159844057 408437606 /nfs/dbraw/zinc/43/76/06/408437606.db2.gz SBRPFQZFQNWSQI-ZDUSSCGKSA-N 1 2 302.330 1.296 20 70 DDIDLO Cn1cnc2cc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cnc21 ZINC000160975602 408545830 /nfs/dbraw/zinc/54/58/30/408545830.db2.gz WDYUSYCHRHTSEI-CYBMUJFWSA-N 1 2 322.372 1.372 20 70 DDIDLO CCn1nc(C)c(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C ZINC000160990426 408546665 /nfs/dbraw/zinc/54/66/65/408546665.db2.gz KDPLLVXPSRPSCP-INIZCTEOSA-N 1 2 320.437 1.343 20 70 DDIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000161105862 408559684 /nfs/dbraw/zinc/55/96/84/408559684.db2.gz PJNGUNATXWOQQG-ZDUSSCGKSA-N 1 2 318.421 1.029 20 70 DDIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000161105862 408559688 /nfs/dbraw/zinc/55/96/88/408559688.db2.gz PJNGUNATXWOQQG-ZDUSSCGKSA-N 1 2 318.421 1.029 20 70 DDIDLO O=C(Cn1cc[nH+]c1)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000161192786 408570634 /nfs/dbraw/zinc/57/06/34/408570634.db2.gz YYSKEAPOXHHWKN-UHFFFAOYSA-N 1 2 321.327 1.983 20 70 DDIDLO O=S(=O)(NCCNc1cc[nH+]c(C2CC2)n1)c1cccnc1 ZINC000161216703 408574435 /nfs/dbraw/zinc/57/44/35/408574435.db2.gz SQZKQHAEAQXAPB-UHFFFAOYSA-N 1 2 319.390 1.139 20 70 DDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CSCCS1 ZINC000161295463 408584079 /nfs/dbraw/zinc/58/40/79/408584079.db2.gz GRHITMVNDFTBCC-NEPJUHHUSA-N 1 2 309.460 1.625 20 70 DDIDLO COCCOc1ncccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161337304 408588927 /nfs/dbraw/zinc/58/89/27/408588927.db2.gz PQAQVPCRFUJYTD-LBPRGKRZSA-N 1 2 316.361 1.504 20 70 DDIDLO COCc1nc2n(n1)C[C@H](Nc1cc[nH+]c(C3CC3)n1)CC2 ZINC000161340825 408589275 /nfs/dbraw/zinc/58/92/75/408589275.db2.gz RJLZXJLMWDYKER-LLVKDONJSA-N 1 2 300.366 1.519 20 70 DDIDLO O=C(NCCn1cc[nH+]c1)Nc1ccn(CC(F)(F)F)n1 ZINC000160857438 408532730 /nfs/dbraw/zinc/53/27/30/408532730.db2.gz ALAAQLJUYJJFAB-UHFFFAOYSA-N 1 2 302.260 1.464 20 70 DDIDLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159578089 408420228 /nfs/dbraw/zinc/42/02/28/408420228.db2.gz BIKRQYKYOARNHZ-UHFFFAOYSA-N 1 2 314.813 1.510 20 70 DDIDLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159578089 408420233 /nfs/dbraw/zinc/42/02/33/408420233.db2.gz BIKRQYKYOARNHZ-UHFFFAOYSA-N 1 2 314.813 1.510 20 70 DDIDLO CCN(CC)c1ccc(CNC(=O)C2(O)CCSCC2)c[nH+]1 ZINC000159786808 408433753 /nfs/dbraw/zinc/43/37/53/408433753.db2.gz LQQKBBXBRPOMET-UHFFFAOYSA-N 1 2 323.462 1.802 20 70 DDIDLO CCC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)CC(F)F ZINC000159916839 408444580 /nfs/dbraw/zinc/44/45/80/408444580.db2.gz ZMUGCZNYRCTLAF-UHFFFAOYSA-N 1 2 303.353 1.828 20 70 DDIDLO CCC[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)CC(F)F ZINC000159916839 408444586 /nfs/dbraw/zinc/44/45/86/408444586.db2.gz ZMUGCZNYRCTLAF-UHFFFAOYSA-N 1 2 303.353 1.828 20 70 DDIDLO C[C@H]1CCC[C@@H](C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)C1 ZINC000160271495 408467465 /nfs/dbraw/zinc/46/74/65/408467465.db2.gz UCWNNNRXFYAKCK-LSDHHAIUSA-N 1 2 309.454 1.435 20 70 DDIDLO C[C@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)C1 ZINC000160271495 408467470 /nfs/dbraw/zinc/46/74/70/408467470.db2.gz UCWNNNRXFYAKCK-LSDHHAIUSA-N 1 2 309.454 1.435 20 70 DDIDLO C[C@H](CNS(=O)(=O)c1cccc(F)c1)C[NH+]1CCOCC1 ZINC000160385185 408475826 /nfs/dbraw/zinc/47/58/26/408475826.db2.gz DVTSONFIESIOHA-GFCCVEGCSA-N 1 2 316.398 1.072 20 70 DDIDLO CC[C@@H](Cc1ccccc1)N(CC)C(=O)CN1CC[NH2+]CC1=O ZINC000161437574 408601791 /nfs/dbraw/zinc/60/17/91/408601791.db2.gz WKHCHAGHFCEOFK-INIZCTEOSA-N 1 2 317.433 1.288 20 70 DDIDLO CC[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccc(F)cc1 ZINC000161315624 408587456 /nfs/dbraw/zinc/58/74/56/408587456.db2.gz JEDKQKIHLXTZTH-HOTGVXAUSA-N 1 2 305.397 1.435 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000160917751 408538974 /nfs/dbraw/zinc/53/89/74/408538974.db2.gz DHCODUGKKCTSIE-LLVKDONJSA-N 1 2 302.330 1.204 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000160917751 408538980 /nfs/dbraw/zinc/53/89/80/408538980.db2.gz DHCODUGKKCTSIE-LLVKDONJSA-N 1 2 302.330 1.204 20 70 DDIDLO Cn1cnc2cc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cnc21 ZINC000160975701 408543612 /nfs/dbraw/zinc/54/36/12/408543612.db2.gz WDYUSYCHRHTSEI-ZDUSSCGKSA-N 1 2 322.372 1.372 20 70 DDIDLO Cc1[nH+]c2ccccn2c1CN1CCN(c2cnn(C)c2)C(=O)C1 ZINC000160978291 290778640 /nfs/dbraw/zinc/77/86/40/290778640.db2.gz WQLVGEPYVAMBJI-UHFFFAOYSA-N 1 2 324.388 1.225 20 70 DDIDLO CCC[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000159603905 408419028 /nfs/dbraw/zinc/41/90/28/408419028.db2.gz LJMWZMSADMSQDP-OAHLLOKOSA-N 1 2 320.437 1.972 20 70 DDIDLO O=C(NCc1cccnc1-n1cccn1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159718340 408428686 /nfs/dbraw/zinc/42/86/86/408428686.db2.gz PRUBBLVTLHYSGH-ZDUSSCGKSA-N 1 2 322.372 1.343 20 70 DDIDLO C[C@@H]1CCC[C@H](C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)C1 ZINC000160271202 408468986 /nfs/dbraw/zinc/46/89/86/408468986.db2.gz UCWNNNRXFYAKCK-CABCVRRESA-N 1 2 309.454 1.435 20 70 DDIDLO C[C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)C1 ZINC000160271202 408468988 /nfs/dbraw/zinc/46/89/88/408468988.db2.gz UCWNNNRXFYAKCK-CABCVRRESA-N 1 2 309.454 1.435 20 70 DDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000160320492 408470713 /nfs/dbraw/zinc/47/07/13/408470713.db2.gz BFLOCVOLFBLFIC-LBPRGKRZSA-N 1 2 306.316 1.805 20 70 DDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000160320492 408470719 /nfs/dbraw/zinc/47/07/19/408470719.db2.gz BFLOCVOLFBLFIC-LBPRGKRZSA-N 1 2 306.316 1.805 20 70 DDIDLO COCc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC000161366427 408594599 /nfs/dbraw/zinc/59/45/99/408594599.db2.gz LRGDBZRLCULOAE-GFCCVEGCSA-N 1 2 314.393 1.827 20 70 DDIDLO CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccco3)C2)CC1 ZINC000216970751 163330862 /nfs/dbraw/zinc/33/08/62/163330862.db2.gz AJQDYDMDPVGIPG-HNNXBMFYSA-N 1 2 305.422 1.451 20 70 DDIDLO COCCC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000160189870 248312732 /nfs/dbraw/zinc/31/27/32/248312732.db2.gz LWHWKHDUKNMRQU-UHFFFAOYSA-N 1 2 317.433 1.933 20 70 DDIDLO Cc1ccc(OCCCNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000217297836 407502028 /nfs/dbraw/zinc/50/20/28/407502028.db2.gz WACDATNEABGWID-UHFFFAOYSA-N 1 2 321.421 1.395 20 70 DDIDLO CC[C@H](C)OCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000160626724 408504824 /nfs/dbraw/zinc/50/48/24/408504824.db2.gz BASDFECXLQQNHI-DZGCQCFKSA-N 1 2 316.467 1.126 20 70 DDIDLO C[C@@H](NC(=O)N(C)Cc1cccn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000161114526 408560723 /nfs/dbraw/zinc/56/07/23/408560723.db2.gz JNPBAHVJDIGGCV-ZIAGYGMSSA-N 1 2 308.426 1.276 20 70 DDIDLO COc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1O ZINC000161370995 408594549 /nfs/dbraw/zinc/59/45/49/408594549.db2.gz DEIIUNBWKURFTA-GFCCVEGCSA-N 1 2 313.357 1.805 20 70 DDIDLO O=C(NCCOc1ccc(F)cc1F)[C@H]1CCn2cc[nH+]c2C1 ZINC000161461392 354243817 /nfs/dbraw/zinc/24/38/17/354243817.db2.gz APDHKPNNTATYAF-NSHDSACASA-N 1 2 321.327 1.919 20 70 DDIDLO CNC(=O)COc1ccc([NH2+][C@@H](C)CCn2cccn2)cc1 ZINC000159452685 197355181 /nfs/dbraw/zinc/35/51/81/197355181.db2.gz NLBIKTDAGQJDMD-ZDUSSCGKSA-N 1 2 302.378 1.899 20 70 DDIDLO Cn1cnc2cc(C(=O)NCCCCNc3cccc[nH+]3)cnc21 ZINC000159801854 408435399 /nfs/dbraw/zinc/43/53/99/408435399.db2.gz QZSYULGDHFKOHL-UHFFFAOYSA-N 1 2 324.388 1.985 20 70 DDIDLO O=C1CN(Cc2c[nH+]c3ccc(Br)cn23)CCN1 ZINC000160486167 408490124 /nfs/dbraw/zinc/49/01/24/408490124.db2.gz LLCZAJIDKUQZDP-UHFFFAOYSA-N 1 2 309.167 1.029 20 70 DDIDLO Cn1c(=O)cccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000160610620 408502743 /nfs/dbraw/zinc/50/27/43/408502743.db2.gz SVQWAIDMTAQCBB-UHFFFAOYSA-N 1 2 304.375 1.082 20 70 DDIDLO Cn1c(=O)cccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000160610620 408502747 /nfs/dbraw/zinc/50/27/47/408502747.db2.gz SVQWAIDMTAQCBB-UHFFFAOYSA-N 1 2 304.375 1.082 20 70 DDIDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nncn3C)C2)n1 ZINC000160811652 408526704 /nfs/dbraw/zinc/52/67/04/408526704.db2.gz HZZUYKBLRYVUFN-CYBMUJFWSA-N 1 2 314.393 1.369 20 70 DDIDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nncn3C)C2)n1 ZINC000160811652 408526709 /nfs/dbraw/zinc/52/67/09/408526709.db2.gz HZZUYKBLRYVUFN-CYBMUJFWSA-N 1 2 314.393 1.369 20 70 DDIDLO CCc1nnc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)[nH]1 ZINC000160404977 408477852 /nfs/dbraw/zinc/47/78/52/408477852.db2.gz VRHFPTLCYADQGU-SNVBAGLBSA-N 1 2 323.422 1.126 20 70 DDIDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161017221 408550526 /nfs/dbraw/zinc/55/05/26/408550526.db2.gz HUOTUBLWZIIGPT-AWEZNQCLSA-N 1 2 320.437 1.530 20 70 DDIDLO O=C(Nc1cc(-c2ccncc2)[nH]n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161076725 408556247 /nfs/dbraw/zinc/55/62/47/408556247.db2.gz RQAGQVWEBSQSLE-LBPRGKRZSA-N 1 2 308.345 1.869 20 70 DDIDLO CC(C)CC(=O)NCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000161282247 408581506 /nfs/dbraw/zinc/58/15/06/408581506.db2.gz KLHXDGNEWITQQF-UHFFFAOYSA-N 1 2 324.450 1.622 20 70 DDIDLO CC(C)CC(=O)NCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000161282247 408581514 /nfs/dbraw/zinc/58/15/14/408581514.db2.gz KLHXDGNEWITQQF-UHFFFAOYSA-N 1 2 324.450 1.622 20 70 DDIDLO Cc1[nH+]c2ccccn2c1CN1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000160509521 527178670 /nfs/dbraw/zinc/17/86/70/527178670.db2.gz VOPKETJVTZCWBA-STQMWFEESA-N 1 2 307.419 1.650 20 70 DDIDLO Cc1cc(S(=O)(=O)F)cnc1N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001164631202 719256778 /nfs/dbraw/zinc/25/67/78/719256778.db2.gz CFDCAUJDJJRXAN-QWRGUYRKSA-N 1 2 301.387 1.577 20 70 DDIDLO Cc1cc(S(=O)(=O)F)cnc1N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001164631202 719256779 /nfs/dbraw/zinc/25/67/79/719256779.db2.gz CFDCAUJDJJRXAN-QWRGUYRKSA-N 1 2 301.387 1.577 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1(C)CCCS1 ZINC000160315394 290770039 /nfs/dbraw/zinc/77/00/39/290770039.db2.gz RZIWMZPLZZDPGH-JSGCOSHPSA-N 1 2 301.456 1.292 20 70 DDIDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159614788 186130773 /nfs/dbraw/zinc/13/07/73/186130773.db2.gz ZWADYGHFMNFIFH-BBRMVZONSA-N 1 2 304.390 1.921 20 70 DDIDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159614788 186130774 /nfs/dbraw/zinc/13/07/74/186130774.db2.gz ZWADYGHFMNFIFH-BBRMVZONSA-N 1 2 304.390 1.921 20 70 DDIDLO CC1=C(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCO1 ZINC000160265924 197396760 /nfs/dbraw/zinc/39/67/60/197396760.db2.gz JIOHTWSUBKNLIF-UHFFFAOYSA-N 1 2 301.390 1.810 20 70 DDIDLO Cc1ccc(C)c([C@H](C)N(C)C(=O)CN2CC[NH2+]CC2=O)c1 ZINC000159971947 408448638 /nfs/dbraw/zinc/44/86/38/408448638.db2.gz AJJIIWNNNMWQHN-AWEZNQCLSA-N 1 2 303.406 1.255 20 70 DDIDLO CC(C)n1cc[nH+]c1CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000160727218 408518213 /nfs/dbraw/zinc/51/82/13/408518213.db2.gz RVQYQFNFUSMAML-UHFFFAOYSA-N 1 2 320.418 1.674 20 70 DDIDLO CC[C@H](c1ccncc1)N(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000160829000 408527231 /nfs/dbraw/zinc/52/72/31/408527231.db2.gz SRLRQJBXJLDOQV-MRXNPFEDSA-N 1 2 320.437 1.896 20 70 DDIDLO COc1cccc2c1CC[C@H]2NC(=O)NCCn1cc[nH+]c1 ZINC000160281660 408466901 /nfs/dbraw/zinc/46/69/01/408466901.db2.gz UDMIBTJEHQVMLW-CQSZACIVSA-N 1 2 300.362 1.878 20 70 DDIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000160982890 408548172 /nfs/dbraw/zinc/54/81/72/408548172.db2.gz UUTZIMBFEQMEGU-OAHLLOKOSA-N 1 2 318.373 1.239 20 70 DDIDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161189379 408572187 /nfs/dbraw/zinc/57/21/87/408572187.db2.gz XIAKDOCRSWLHOO-VXGBXAGGSA-N 1 2 313.423 1.124 20 70 DDIDLO COc1cc(C[NH+]2CCN(CC(OC)OC)CC2)cc(OC)c1 ZINC000161381959 408597700 /nfs/dbraw/zinc/59/77/00/408597700.db2.gz DOOANORURNAPEM-UHFFFAOYSA-N 1 2 324.421 1.440 20 70 DDIDLO CCCNC(=O)[C@H]1CN(Cc2[nH+]ccn2C)c2ccccc2O1 ZINC000160900390 408536701 /nfs/dbraw/zinc/53/67/01/408536701.db2.gz FTMVIZCLDBGBEF-OAHLLOKOSA-N 1 2 314.389 1.714 20 70 DDIDLO COc1nc(C)nc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1C ZINC000159408209 197351358 /nfs/dbraw/zinc/35/13/58/197351358.db2.gz ZSLBEUVPVHLTOR-SNVBAGLBSA-N 1 2 321.450 1.715 20 70 DDIDLO CC(C)Oc1cncc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000159716587 408427574 /nfs/dbraw/zinc/42/75/74/408427574.db2.gz JOIXCWNIYPGWSM-GJZGRUSLSA-N 1 2 305.378 1.024 20 70 DDIDLO CC(C)Oc1cncc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000159716587 408427584 /nfs/dbraw/zinc/42/75/84/408427584.db2.gz JOIXCWNIYPGWSM-GJZGRUSLSA-N 1 2 305.378 1.024 20 70 DDIDLO COC(=O)C[C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000160976291 408545399 /nfs/dbraw/zinc/54/53/99/408545399.db2.gz LHWKOGWBNQFGNP-LBPRGKRZSA-N 1 2 301.346 1.688 20 70 DDIDLO COC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000161166910 408566578 /nfs/dbraw/zinc/56/65/78/408566578.db2.gz UAOPIJGVYWVMLH-UHFFFAOYSA-N 1 2 318.421 1.478 20 70 DDIDLO CN(C)c1[nH+]cccc1NC(=O)CC(=O)NCC(F)(F)F ZINC000161456294 408604536 /nfs/dbraw/zinc/60/45/36/408604536.db2.gz QOKBLAJQVYVGBY-UHFFFAOYSA-N 1 2 304.272 1.155 20 70 DDIDLO CCCOc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000161493214 408608176 /nfs/dbraw/zinc/60/81/76/408608176.db2.gz OAUPESUSQSCONJ-CQSZACIVSA-N 1 2 314.389 1.946 20 70 DDIDLO COCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000160710795 484068352 /nfs/dbraw/zinc/06/83/52/484068352.db2.gz VPRBWUKTBIWPFK-KBPBESRZSA-N 1 2 313.348 1.656 20 70 DDIDLO COCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000160710795 484068362 /nfs/dbraw/zinc/06/83/62/484068362.db2.gz VPRBWUKTBIWPFK-KBPBESRZSA-N 1 2 313.348 1.656 20 70 DDIDLO CS[C@@H](C)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000216931801 484141372 /nfs/dbraw/zinc/14/13/72/484141372.db2.gz ASLSUUAHQVVKLX-DZGCQCFKSA-N 1 2 308.447 1.616 20 70 DDIDLO O=C(N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161026068 354241623 /nfs/dbraw/zinc/24/16/23/354241623.db2.gz OCIAJIKQLHVLPX-QWRGUYRKSA-N 1 2 316.327 1.198 20 70 DDIDLO CC(=O)Nc1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159958811 197376632 /nfs/dbraw/zinc/37/66/32/197376632.db2.gz UMUPOZSVFTYNRQ-UHFFFAOYSA-N 1 2 301.437 1.667 20 70 DDIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC[C@@](C)(O)C1 ZINC000159935280 197374701 /nfs/dbraw/zinc/37/47/01/197374701.db2.gz UKGXQSGKUAYJGH-QGZVFWFLSA-N 1 2 316.405 1.901 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1c(C)oc2ccccc21 ZINC000159813960 197366178 /nfs/dbraw/zinc/36/61/78/197366178.db2.gz NSTMUSJGQTYCGB-AWEZNQCLSA-N 1 2 316.357 1.605 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)oc2ccccc21 ZINC000159813960 197366180 /nfs/dbraw/zinc/36/61/80/197366180.db2.gz NSTMUSJGQTYCGB-AWEZNQCLSA-N 1 2 316.357 1.605 20 70 DDIDLO C[C@H]1C[C@H](C)CN(C(=O)CSCC[NH+]2CCOCC2)C1 ZINC000160011621 408449300 /nfs/dbraw/zinc/44/93/00/408449300.db2.gz BZPPHEVOYPRZHW-KBPBESRZSA-N 1 2 300.468 1.556 20 70 DDIDLO CCCCOC(=O)CC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000159621012 408422863 /nfs/dbraw/zinc/42/28/63/408422863.db2.gz LGZSURDDGHLOOX-HNNXBMFYSA-N 1 2 304.390 1.632 20 70 DDIDLO CCCCOC(=O)CC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000159621012 408422867 /nfs/dbraw/zinc/42/28/67/408422867.db2.gz LGZSURDDGHLOOX-HNNXBMFYSA-N 1 2 304.390 1.632 20 70 DDIDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CSCC[NH+]1CCOCC1 ZINC000159761263 408432774 /nfs/dbraw/zinc/43/27/74/408432774.db2.gz RVHAXCRZMKBLHN-ZIAGYGMSSA-N 1 2 300.468 1.841 20 70 DDIDLO CCOc1ccc(C[NH+]2CCN(CC(OC)OC)CC2)cc1 ZINC000160387955 408479919 /nfs/dbraw/zinc/47/99/19/408479919.db2.gz UZLMEEQQHYFEHM-UHFFFAOYSA-N 1 2 308.422 1.822 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1nc(C2CC2)cs1 ZINC000160593948 408499628 /nfs/dbraw/zinc/49/96/28/408499628.db2.gz KRRQEQBCLFZWCB-NSHDSACASA-N 1 2 324.450 1.540 20 70 DDIDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(SC)cc1OC ZINC000160312106 408471587 /nfs/dbraw/zinc/47/15/87/408471587.db2.gz DVHZDYCYBUIGOQ-LLVKDONJSA-N 1 2 310.419 1.875 20 70 DDIDLO COc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)c(SC)cc1OC ZINC000160312106 408471590 /nfs/dbraw/zinc/47/15/90/408471590.db2.gz DVHZDYCYBUIGOQ-LLVKDONJSA-N 1 2 310.419 1.875 20 70 DDIDLO O=C(CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)N1CCCCCC1 ZINC000161064875 408557199 /nfs/dbraw/zinc/55/71/99/408557199.db2.gz BHQGRMUHPXFTAF-AWEZNQCLSA-N 1 2 318.421 1.354 20 70 DDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc2c1OCO2 ZINC000161277540 408580975 /nfs/dbraw/zinc/58/09/75/408580975.db2.gz SCURPBFDRDNBCD-LBPRGKRZSA-N 1 2 311.341 1.819 20 70 DDIDLO CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000217183615 163331047 /nfs/dbraw/zinc/33/10/47/163331047.db2.gz FFYFYGGMVTXSGV-SWLSCSKDSA-N 1 2 301.333 1.736 20 70 DDIDLO CCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000217183615 163331050 /nfs/dbraw/zinc/33/10/50/163331050.db2.gz FFYFYGGMVTXSGV-SWLSCSKDSA-N 1 2 301.333 1.736 20 70 DDIDLO C[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000159572270 186127697 /nfs/dbraw/zinc/12/76/97/186127697.db2.gz VLWOOMRMTDSHDI-MNOVXSKESA-N 1 2 302.382 1.571 20 70 DDIDLO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000159572270 186127699 /nfs/dbraw/zinc/12/76/99/186127699.db2.gz VLWOOMRMTDSHDI-MNOVXSKESA-N 1 2 302.382 1.571 20 70 DDIDLO Cc1cccc([C@@H]2CCCN2C(=O)CN2CC[NH2+]CC2=O)c1C ZINC000160723855 248314950 /nfs/dbraw/zinc/31/49/50/248314950.db2.gz CFNWKKAXFSFVJK-INIZCTEOSA-N 1 2 315.417 1.399 20 70 DDIDLO O=C1OCC[C@H]1CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159510490 197360185 /nfs/dbraw/zinc/36/01/85/197360185.db2.gz NGQFOEDJJSEENU-MGPQQGTHSA-N 1 2 309.362 1.357 20 70 DDIDLO O=C1OCC[C@H]1CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159510490 197360187 /nfs/dbraw/zinc/36/01/87/197360187.db2.gz NGQFOEDJJSEENU-MGPQQGTHSA-N 1 2 309.362 1.357 20 70 DDIDLO CCN(Cc1c[nH+]c2ccccn12)[C@H](C)CS(=O)(=O)CC ZINC000160396771 285125595 /nfs/dbraw/zinc/12/55/95/285125595.db2.gz XCXZUIUSECVSON-CYBMUJFWSA-N 1 2 309.435 1.979 20 70 DDIDLO COc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000159550825 408416281 /nfs/dbraw/zinc/41/62/81/408416281.db2.gz PYHOEZRRVBUWFB-GFCCVEGCSA-N 1 2 303.337 1.910 20 70 DDIDLO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2nc(=O)[nH][nH]2)CC1 ZINC000160152595 408460181 /nfs/dbraw/zinc/46/01/81/408460181.db2.gz VTHNKJUDVKBRMW-GFCCVEGCSA-N 1 2 321.425 1.215 20 70 DDIDLO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2nc(=O)[nH][nH]2)CC1 ZINC000160152595 408460186 /nfs/dbraw/zinc/46/01/86/408460186.db2.gz VTHNKJUDVKBRMW-GFCCVEGCSA-N 1 2 321.425 1.215 20 70 DDIDLO Cn1ccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000160753775 408520647 /nfs/dbraw/zinc/52/06/47/408520647.db2.gz VGQLHXPCVHGOOL-LBPRGKRZSA-N 1 2 300.366 1.606 20 70 DDIDLO CCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161106498 408561209 /nfs/dbraw/zinc/56/12/09/408561209.db2.gz AUBDMXJYZOXACV-GFCCVEGCSA-N 1 2 314.407 1.200 20 70 DDIDLO CCC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161106498 408561217 /nfs/dbraw/zinc/56/12/17/408561217.db2.gz AUBDMXJYZOXACV-GFCCVEGCSA-N 1 2 314.407 1.200 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000159567468 290759498 /nfs/dbraw/zinc/75/94/98/290759498.db2.gz JAJXJQZSNPTLHA-UHFFFAOYSA-N 1 2 305.378 1.836 20 70 DDIDLO Cc1noc([C@@H]2COCCN2Cc2c(C)[nH+]c3ccccn32)n1 ZINC000161154103 290781887 /nfs/dbraw/zinc/78/18/87/290781887.db2.gz BTKMNWZFRRVUBL-AWEZNQCLSA-N 1 2 313.361 1.908 20 70 DDIDLO Cc1cc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)ncn1 ZINC000161389124 290784203 /nfs/dbraw/zinc/78/42/03/290784203.db2.gz TZOOSJLQRCXNGI-AWEZNQCLSA-N 1 2 306.410 1.262 20 70 DDIDLO O=C1OCC[C@H]1CC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159510624 197359711 /nfs/dbraw/zinc/35/97/11/197359711.db2.gz NGQFOEDJJSEENU-MCIONIFRSA-N 1 2 309.362 1.357 20 70 DDIDLO O=C1OCC[C@H]1CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159510624 197359713 /nfs/dbraw/zinc/35/97/13/197359713.db2.gz NGQFOEDJJSEENU-MCIONIFRSA-N 1 2 309.362 1.357 20 70 DDIDLO COc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1O ZINC000159984496 408448271 /nfs/dbraw/zinc/44/82/71/408448271.db2.gz CXBLYBJEIFMURC-GFCCVEGCSA-N 1 2 301.346 1.476 20 70 DDIDLO CCc1nnc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)[nH]1 ZINC000159444523 408407465 /nfs/dbraw/zinc/40/74/65/408407465.db2.gz AKUDUBLKDMVDAO-YPMHNXCESA-N 1 2 303.410 1.342 20 70 DDIDLO CCc1nnc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)[nH]1 ZINC000159444523 408407471 /nfs/dbraw/zinc/40/74/71/408407471.db2.gz AKUDUBLKDMVDAO-YPMHNXCESA-N 1 2 303.410 1.342 20 70 DDIDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccnc(-n2cccn2)c1 ZINC000159837861 408437277 /nfs/dbraw/zinc/43/72/77/408437277.db2.gz VOBWRJOHVZIHNW-UHFFFAOYSA-N 1 2 322.372 1.658 20 70 DDIDLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H](C)CO)cn2c1 ZINC000160408087 408480137 /nfs/dbraw/zinc/48/01/37/408480137.db2.gz JKHRIEVXTNSRLI-GFCCVEGCSA-N 1 2 307.419 1.621 20 70 DDIDLO CO[C@H]1CCC[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160739571 408519206 /nfs/dbraw/zinc/51/92/06/408519206.db2.gz AMHDHXYIXNIREF-KBPBESRZSA-N 1 2 306.410 1.629 20 70 DDIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCOC1 ZINC000160388659 408478334 /nfs/dbraw/zinc/47/83/34/408478334.db2.gz UWBRVJYDAQXNKS-CABCVRRESA-N 1 2 318.421 1.334 20 70 DDIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000160976351 408545175 /nfs/dbraw/zinc/54/51/75/408545175.db2.gz IVCNRRLUPZYPBR-MRXNPFEDSA-N 1 2 314.389 1.386 20 70 DDIDLO COC(C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1)OC ZINC000161201729 408570317 /nfs/dbraw/zinc/57/03/17/408570317.db2.gz MQVNBXYXLHACOV-UHFFFAOYSA-N 1 2 312.797 1.603 20 70 DDIDLO COC(C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1)OC ZINC000161201729 408570322 /nfs/dbraw/zinc/57/03/22/408570322.db2.gz MQVNBXYXLHACOV-UHFFFAOYSA-N 1 2 312.797 1.603 20 70 DDIDLO COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC000161237007 408577382 /nfs/dbraw/zinc/57/73/82/408577382.db2.gz HQROITQYIRBMFU-HIFRSBDPSA-N 1 2 308.378 1.420 20 70 DDIDLO COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000161237007 408577389 /nfs/dbraw/zinc/57/73/89/408577389.db2.gz HQROITQYIRBMFU-HIFRSBDPSA-N 1 2 308.378 1.420 20 70 DDIDLO CCOC(=O)c1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159824949 290763545 /nfs/dbraw/zinc/76/35/45/290763545.db2.gz ABNUDYBHXQBDDF-UHFFFAOYSA-N 1 2 316.448 1.885 20 70 DDIDLO O=C(c1cccc2nc[nH]c21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000159724614 186137404 /nfs/dbraw/zinc/13/74/04/186137404.db2.gz ULOFBVWQVDQRHH-CYBMUJFWSA-N 1 2 314.389 1.500 20 70 DDIDLO C[C@H](Cc1ccccc1F)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000160157220 354237296 /nfs/dbraw/zinc/23/72/96/354237296.db2.gz SQNISPVJIBGAKF-HUUCEWRRSA-N 1 2 321.440 1.756 20 70 DDIDLO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C)cn3)CC2)n1 ZINC000159943029 408447323 /nfs/dbraw/zinc/44/73/23/408447323.db2.gz QUEVDSOSYGTIPI-CYBMUJFWSA-N 1 2 301.394 1.960 20 70 DDIDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CCCCO1 ZINC000160338336 408472771 /nfs/dbraw/zinc/47/27/71/408472771.db2.gz XZINEXCHLSLNJI-IAGOWNOFSA-N 1 2 318.417 1.745 20 70 DDIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCOC1 ZINC000160388250 408477979 /nfs/dbraw/zinc/47/79/79/408477979.db2.gz UWBRVJYDAQXNKS-LSDHHAIUSA-N 1 2 318.421 1.334 20 70 DDIDLO CN(C)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161093348 408558912 /nfs/dbraw/zinc/55/89/12/408558912.db2.gz WMHWQIWPTZAORS-CHWSQXEVSA-N 1 2 316.323 1.901 20 70 DDIDLO CN(C)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161093348 408558918 /nfs/dbraw/zinc/55/89/18/408558918.db2.gz WMHWQIWPTZAORS-CHWSQXEVSA-N 1 2 316.323 1.901 20 70 DDIDLO CC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cnn(C)c1 ZINC000161133094 408564489 /nfs/dbraw/zinc/56/44/89/408564489.db2.gz GMWSTHTYYAPKAQ-UHFFFAOYSA-N 1 2 319.434 1.826 20 70 DDIDLO CC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cnn(C)c1 ZINC000161133094 408564494 /nfs/dbraw/zinc/56/44/94/408564494.db2.gz GMWSTHTYYAPKAQ-UHFFFAOYSA-N 1 2 319.434 1.826 20 70 DDIDLO CN(C)c1ncccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161225658 408575662 /nfs/dbraw/zinc/57/56/62/408575662.db2.gz BMUAGVCEWFDJCQ-CYBMUJFWSA-N 1 2 311.389 1.551 20 70 DDIDLO COCc1nc2n(n1)C[C@@H](Nc1cc[nH+]c(C3CC3)n1)CC2 ZINC000161340914 408589233 /nfs/dbraw/zinc/58/92/33/408589233.db2.gz RJLZXJLMWDYKER-NSHDSACASA-N 1 2 300.366 1.519 20 70 DDIDLO CC(C)(CNC(=O)N[C@@H]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC000161042501 221711624 /nfs/dbraw/zinc/71/16/24/221711624.db2.gz IUZCHSOPZPRFNB-CYBMUJFWSA-N 1 2 313.442 1.354 20 70 DDIDLO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccncc1 ZINC000160760258 539220548 /nfs/dbraw/zinc/22/05/48/539220548.db2.gz CJAGYALDWRIASN-DOTOQJQBSA-N 1 2 317.433 1.898 20 70 DDIDLO Cc1cc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)ncn1 ZINC000161389006 290784106 /nfs/dbraw/zinc/78/41/06/290784106.db2.gz TZOOSJLQRCXNGI-CQSZACIVSA-N 1 2 306.410 1.262 20 70 DDIDLO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1 ZINC000159717103 186137191 /nfs/dbraw/zinc/13/71/91/186137191.db2.gz DZONGNFVVMZWHH-RDJZCZTQSA-N 1 2 305.422 1.846 20 70 DDIDLO COCCCNC(=O)C[N@H+](C)Cc1cccc2c1OCCO2 ZINC000159473197 408410018 /nfs/dbraw/zinc/41/00/18/408410018.db2.gz FMHXGAZYIFPZIK-UHFFFAOYSA-N 1 2 308.378 1.042 20 70 DDIDLO COCCCNC(=O)C[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000159473197 408410024 /nfs/dbraw/zinc/41/00/24/408410024.db2.gz FMHXGAZYIFPZIK-UHFFFAOYSA-N 1 2 308.378 1.042 20 70 DDIDLO CC[N@@H+]1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000160423965 408482757 /nfs/dbraw/zinc/48/27/57/408482757.db2.gz LBMBOCHAZMSDOA-UHFFFAOYSA-N 1 2 316.448 1.319 20 70 DDIDLO CC[N@H+]1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000160423965 408482762 /nfs/dbraw/zinc/48/27/62/408482762.db2.gz LBMBOCHAZMSDOA-UHFFFAOYSA-N 1 2 316.448 1.319 20 70 DDIDLO CC[C@@H](C)OCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000160626854 408504161 /nfs/dbraw/zinc/50/41/61/408504161.db2.gz BASDFECXLQQNHI-HIFRSBDPSA-N 1 2 316.467 1.126 20 70 DDIDLO CC[C@H](C)OCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000160626961 408504281 /nfs/dbraw/zinc/50/42/81/408504281.db2.gz BASDFECXLQQNHI-ZFWWWQNUSA-N 1 2 316.467 1.126 20 70 DDIDLO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3OCC[C@H]3C)CC2)cn1 ZINC000160344153 408472169 /nfs/dbraw/zinc/47/21/69/408472169.db2.gz AYTSCOFBQMADQR-ZBFHGGJFSA-N 1 2 320.437 1.362 20 70 DDIDLO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3OCC[C@H]3C)CC2)cn1 ZINC000160344153 408472176 /nfs/dbraw/zinc/47/21/76/408472176.db2.gz AYTSCOFBQMADQR-ZBFHGGJFSA-N 1 2 320.437 1.362 20 70 DDIDLO OC[C@@H]1CCCN1c1cc(N[C@@H]2CCO[C@H](C3CC3)C2)[nH+]cn1 ZINC000160402391 408478012 /nfs/dbraw/zinc/47/80/12/408478012.db2.gz LYMJETYAEWPBSG-ILXRZTDVSA-N 1 2 318.421 1.807 20 70 DDIDLO OC[C@@H]1CCCN1c1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc[nH+]1 ZINC000160402391 408478014 /nfs/dbraw/zinc/47/80/14/408478014.db2.gz LYMJETYAEWPBSG-ILXRZTDVSA-N 1 2 318.421 1.807 20 70 DDIDLO C[C@H](CNC(=O)c1cc(F)cc2cccnc21)[NH+]1CCOCC1 ZINC000159975405 197377543 /nfs/dbraw/zinc/37/75/43/197377543.db2.gz JZZRXWPMNTUDQW-GFCCVEGCSA-N 1 2 317.364 1.824 20 70 DDIDLO CC(C)CC(=O)NCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160043643 408452889 /nfs/dbraw/zinc/45/28/89/408452889.db2.gz YPTYZNKRDHRZRK-UHFFFAOYSA-N 1 2 320.437 1.431 20 70 DDIDLO COc1ccc(-n2cnnc2SCCn2cc[nH+]c2)cn1 ZINC000160132775 408457847 /nfs/dbraw/zinc/45/78/47/408457847.db2.gz AFMVGYNBIYFXFD-UHFFFAOYSA-N 1 2 302.363 1.660 20 70 DDIDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000159469767 408411193 /nfs/dbraw/zinc/41/11/93/408411193.db2.gz QZRKYDAVKRKOCE-NSHDSACASA-N 1 2 312.366 1.212 20 70 DDIDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000159469767 408411195 /nfs/dbraw/zinc/41/11/95/408411195.db2.gz QZRKYDAVKRKOCE-NSHDSACASA-N 1 2 312.366 1.212 20 70 DDIDLO O=C(NC[C@H]1CCCCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159651544 408423303 /nfs/dbraw/zinc/42/33/03/408423303.db2.gz VAPLVTKPFMLSHC-MRXNPFEDSA-N 1 2 318.421 1.478 20 70 DDIDLO Cc1c(CNC(=O)NCc2ccc[nH+]c2N(C)C)cnn1C ZINC000159756361 408430701 /nfs/dbraw/zinc/43/07/01/408430701.db2.gz LPQZLGNSGPRUSB-UHFFFAOYSA-N 1 2 302.382 1.189 20 70 DDIDLO Cc1cnccc1CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000160849783 408529208 /nfs/dbraw/zinc/52/92/08/408529208.db2.gz MOFTVHWGLTZBGU-LSDHHAIUSA-N 1 2 320.437 1.341 20 70 DDIDLO C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161168289 408566006 /nfs/dbraw/zinc/56/60/06/408566006.db2.gz WOQYAQBCADFWLL-LBPRGKRZSA-N 1 2 313.423 1.126 20 70 DDIDLO CCCOc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000161493381 408606889 /nfs/dbraw/zinc/60/68/89/408606889.db2.gz OAUPESUSQSCONJ-AWEZNQCLSA-N 1 2 314.389 1.946 20 70 DDIDLO Cn1cnnc1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000160838467 290777677 /nfs/dbraw/zinc/77/76/77/290777677.db2.gz ILJBEAOTIAJMOK-UHFFFAOYSA-N 1 2 320.441 1.411 20 70 DDIDLO Cc1cccc([C@H]2CCCN2C(=O)CN2CC[NH2+]CC2=O)c1C ZINC000160723985 248315039 /nfs/dbraw/zinc/31/50/39/248315039.db2.gz CFNWKKAXFSFVJK-MRXNPFEDSA-N 1 2 315.417 1.399 20 70 DDIDLO CCCCn1ncc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000160127153 408456842 /nfs/dbraw/zinc/45/68/42/408456842.db2.gz WVGBNTCQCRFPBF-ZDUSSCGKSA-N 1 2 323.441 1.834 20 70 DDIDLO CO[C@@H]1CCC[C@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000160178948 408458958 /nfs/dbraw/zinc/45/89/58/408458958.db2.gz XDSYEXYHBTYAAA-ZIAGYGMSSA-N 1 2 315.377 1.634 20 70 DDIDLO CO[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160679612 408513584 /nfs/dbraw/zinc/51/35/84/408513584.db2.gz LAMAVWNBLHZTCP-LSDHHAIUSA-N 1 2 318.421 1.917 20 70 DDIDLO CC[N@H+](CC(=O)NCc1ccccc1C)Cc1cnn(C)c1 ZINC000161096989 408559337 /nfs/dbraw/zinc/55/93/37/408559337.db2.gz YIHKOOMQLBHVIK-UHFFFAOYSA-N 1 2 300.406 1.867 20 70 DDIDLO CC[N@@H+](CC(=O)NCc1ccccc1C)Cc1cnn(C)c1 ZINC000161096989 408559339 /nfs/dbraw/zinc/55/93/39/408559339.db2.gz YIHKOOMQLBHVIK-UHFFFAOYSA-N 1 2 300.406 1.867 20 70 DDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc2nccnc2c1 ZINC000160410452 526550987 /nfs/dbraw/zinc/55/09/87/526550987.db2.gz VUTREJVEQRLNTQ-CQSZACIVSA-N 1 2 312.373 1.223 20 70 DDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc2nccnc2c1 ZINC000160410452 526550989 /nfs/dbraw/zinc/55/09/89/526550989.db2.gz VUTREJVEQRLNTQ-CQSZACIVSA-N 1 2 312.373 1.223 20 70 DDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1COc2ccccc21 ZINC000160362032 526621946 /nfs/dbraw/zinc/62/19/46/526621946.db2.gz KEDZAFQXLAXWPZ-ZFWWWQNUSA-N 1 2 302.374 1.142 20 70 DDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1COc2ccccc21 ZINC000160362032 526621951 /nfs/dbraw/zinc/62/19/51/526621951.db2.gz KEDZAFQXLAXWPZ-ZFWWWQNUSA-N 1 2 302.374 1.142 20 70 DDIDLO C[C@]1(O)CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000160433278 162148962 /nfs/dbraw/zinc/14/89/62/162148962.db2.gz DXRWXWKTGLEOAL-KRWDZBQOSA-N 1 2 318.421 1.607 20 70 DDIDLO Cc1oc2nc(CSCC[NH+]3CCOCC3)nc(N)c2c1C ZINC000159886830 408440544 /nfs/dbraw/zinc/44/05/44/408440544.db2.gz YKJFSGGIPWUVTQ-UHFFFAOYSA-N 1 2 322.434 1.987 20 70 DDIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)CCOC)nc(N)c21 ZINC000160653762 408507650 /nfs/dbraw/zinc/50/76/50/408507650.db2.gz BFSVEPNYBNSDNR-UHFFFAOYSA-N 1 2 322.365 1.368 20 70 DDIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)CCOC)nc(N)c21 ZINC000160653762 408507651 /nfs/dbraw/zinc/50/76/51/408507651.db2.gz BFSVEPNYBNSDNR-UHFFFAOYSA-N 1 2 322.365 1.368 20 70 DDIDLO COc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000160737746 408517892 /nfs/dbraw/zinc/51/78/92/408517892.db2.gz OHAJPVJUFKMXQQ-CYBMUJFWSA-N 1 2 313.361 1.886 20 70 DDIDLO C[C@@]1(c2ccccc2)CN(C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000160195215 408462852 /nfs/dbraw/zinc/46/28/52/408462852.db2.gz HULCXPSIZKVZCM-KRWDZBQOSA-N 1 2 314.389 1.840 20 70 DDIDLO CCC(CC)CS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160364880 408476018 /nfs/dbraw/zinc/47/60/18/408476018.db2.gz OPKLGXJNUPNACE-CYBMUJFWSA-N 1 2 306.472 1.310 20 70 DDIDLO O=C(Nc1cc(-c2ccncc2)[nH]n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161076614 408557064 /nfs/dbraw/zinc/55/70/64/408557064.db2.gz RQAGQVWEBSQSLE-GFCCVEGCSA-N 1 2 308.345 1.869 20 70 DDIDLO O=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc21 ZINC000161139964 408563593 /nfs/dbraw/zinc/56/35/93/408563593.db2.gz YTOIWEVNXOSAHT-CQSZACIVSA-N 1 2 324.384 1.151 20 70 DDIDLO O=C(CN1CC[NH2+]CC1=O)N(CC1CCC1)c1ccccc1 ZINC000161439206 408601829 /nfs/dbraw/zinc/60/18/29/408601829.db2.gz RSKPFGXWNCKHLT-UHFFFAOYSA-N 1 2 301.390 1.252 20 70 DDIDLO CC(C)(C)[C@@H](CCO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000161300615 408584838 /nfs/dbraw/zinc/58/48/38/408584838.db2.gz BTFXEFKXPSYURW-CYBMUJFWSA-N 1 2 304.394 1.931 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000160917112 408539432 /nfs/dbraw/zinc/53/94/32/408539432.db2.gz DHCODUGKKCTSIE-NSHDSACASA-N 1 2 302.330 1.204 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CC[C@H](O)C3)c2c1 ZINC000160917112 408539436 /nfs/dbraw/zinc/53/94/36/408539436.db2.gz DHCODUGKKCTSIE-NSHDSACASA-N 1 2 302.330 1.204 20 70 DDIDLO C[C@]1(O)CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000160219712 197393186 /nfs/dbraw/zinc/39/31/86/197393186.db2.gz ROKXWGJIBPMIHI-KRWDZBQOSA-N 1 2 318.421 1.738 20 70 DDIDLO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)NC1CC1 ZINC000159387049 197349952 /nfs/dbraw/zinc/34/99/52/197349952.db2.gz PRFMLOSKUMSLGB-GFCCVEGCSA-N 1 2 319.405 1.623 20 70 DDIDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)NC1CC1 ZINC000159387049 197349954 /nfs/dbraw/zinc/34/99/54/197349954.db2.gz PRFMLOSKUMSLGB-GFCCVEGCSA-N 1 2 319.405 1.623 20 70 DDIDLO CCc1nnc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)[nH]1 ZINC000159394642 197350365 /nfs/dbraw/zinc/35/03/65/197350365.db2.gz CXGKKPLGTBWDPB-NSHDSACASA-N 1 2 301.398 1.673 20 70 DDIDLO CCc1nnc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)[nH]1 ZINC000159394642 197350367 /nfs/dbraw/zinc/35/03/67/197350367.db2.gz CXGKKPLGTBWDPB-NSHDSACASA-N 1 2 301.398 1.673 20 70 DDIDLO O=C(NCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000160087859 408453766 /nfs/dbraw/zinc/45/37/66/408453766.db2.gz GPEYYLMXYRHWRZ-NSHDSACASA-N 1 2 318.402 1.053 20 70 DDIDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1cccnc1 ZINC000159460718 408409854 /nfs/dbraw/zinc/40/98/54/408409854.db2.gz SEFBNQPETSWHCD-LBPRGKRZSA-N 1 2 312.373 1.640 20 70 DDIDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1cccnc1 ZINC000159460718 408409858 /nfs/dbraw/zinc/40/98/58/408409858.db2.gz SEFBNQPETSWHCD-LBPRGKRZSA-N 1 2 312.373 1.640 20 70 DDIDLO C[C@H](C(=O)NCCc1cc2ccccc2[nH]1)[NH+]1CCN(C)CC1 ZINC000159579384 408418749 /nfs/dbraw/zinc/41/87/49/408418749.db2.gz WZSUMXDETZSOSD-CQSZACIVSA-N 1 2 314.433 1.463 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(OC)c(C)c1 ZINC000159803724 408435287 /nfs/dbraw/zinc/43/52/87/408435287.db2.gz QLJOZXDHWFWLRT-CQSZACIVSA-N 1 2 320.389 1.176 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)c(OC)c(C)c1 ZINC000159803724 408435292 /nfs/dbraw/zinc/43/52/92/408435292.db2.gz QLJOZXDHWFWLRT-CQSZACIVSA-N 1 2 320.389 1.176 20 70 DDIDLO O=C(N[C@@H]1CCCSC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160582328 408499426 /nfs/dbraw/zinc/49/94/26/408499426.db2.gz WVKZOWKQFMYYGN-OAHLLOKOSA-N 1 2 320.462 1.804 20 70 DDIDLO CC1(C)C[C@H](Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCO1 ZINC000160581375 408500252 /nfs/dbraw/zinc/50/02/52/408500252.db2.gz RBNKPPKQDPHFEC-CHWSQXEVSA-N 1 2 306.410 1.807 20 70 DDIDLO CC1(C)C[C@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCO1 ZINC000160581375 408500256 /nfs/dbraw/zinc/50/02/56/408500256.db2.gz RBNKPPKQDPHFEC-CHWSQXEVSA-N 1 2 306.410 1.807 20 70 DDIDLO CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000160988243 408548145 /nfs/dbraw/zinc/54/81/45/408548145.db2.gz ZLZNDZZTYPQQBX-LLVKDONJSA-N 1 2 316.448 1.366 20 70 DDIDLO CC[N@H+]1CCC[C@@H](NC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000160988243 408548148 /nfs/dbraw/zinc/54/81/48/408548148.db2.gz ZLZNDZZTYPQQBX-LLVKDONJSA-N 1 2 316.448 1.366 20 70 DDIDLO C[C@H]1OCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161030050 408551687 /nfs/dbraw/zinc/55/16/87/408551687.db2.gz BBGHGVDKWXKBSM-UKRRQHHQSA-N 1 2 304.394 1.086 20 70 DDIDLO O=C(CC1CCCC1)NCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161120965 408562141 /nfs/dbraw/zinc/56/21/41/408562141.db2.gz PWVBVEZWURVUIN-AWEZNQCLSA-N 1 2 318.421 1.258 20 70 DDIDLO CS[C@@H](C)CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000160869448 408532714 /nfs/dbraw/zinc/53/27/14/408532714.db2.gz IXKDSRXBHQQDRR-GXTWGEPZSA-N 1 2 318.508 1.452 20 70 DDIDLO CNC(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161435550 408602909 /nfs/dbraw/zinc/60/29/09/408602909.db2.gz WSISQDYMFTXKLK-OAHLLOKOSA-N 1 2 324.384 1.450 20 70 DDIDLO CO[C@](C)(C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160426912 524024533 /nfs/dbraw/zinc/02/45/33/524024533.db2.gz LDHHLGOMTWBODU-WMZOPIPTSA-N 1 2 318.417 1.528 20 70 DDIDLO CO[C@](C)(C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160426912 524024536 /nfs/dbraw/zinc/02/45/36/524024536.db2.gz LDHHLGOMTWBODU-WMZOPIPTSA-N 1 2 318.417 1.528 20 70 DDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1COc2ccccc21 ZINC000160361662 526549762 /nfs/dbraw/zinc/54/97/62/526549762.db2.gz KEDZAFQXLAXWPZ-UKRRQHHQSA-N 1 2 302.374 1.142 20 70 DDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1COc2ccccc21 ZINC000160361662 526549768 /nfs/dbraw/zinc/54/97/68/526549768.db2.gz KEDZAFQXLAXWPZ-UKRRQHHQSA-N 1 2 302.374 1.142 20 70 DDIDLO O=C(Cc1ccccc1F)N1CC[NH+](CCOCC2CC2)CC1 ZINC000159692261 527288408 /nfs/dbraw/zinc/28/84/08/527288408.db2.gz CTAIFOBXHRWJMW-UHFFFAOYSA-N 1 2 320.408 1.939 20 70 DDIDLO COc1ccc(Cn2nnnc2SCCn2cc[nH+]c2)cc1 ZINC000159747527 290761560 /nfs/dbraw/zinc/76/15/60/290761560.db2.gz APZWTJGDTHAOCJ-UHFFFAOYSA-N 1 2 316.390 1.719 20 70 DDIDLO C[C@H](C1CC1)N(C(=O)CSCC[NH+]1CCOCC1)C1CC1 ZINC000159991188 290765441 /nfs/dbraw/zinc/76/54/41/290765441.db2.gz LHBGHPZXBLUYQL-CYBMUJFWSA-N 1 2 312.479 1.841 20 70 DDIDLO CCCCn1ncc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c1C ZINC000160127233 290767319 /nfs/dbraw/zinc/76/73/19/290767319.db2.gz WVGBNTCQCRFPBF-CYBMUJFWSA-N 1 2 323.441 1.834 20 70 DDIDLO O=C1OCC[C@H]1CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159510872 197360265 /nfs/dbraw/zinc/36/02/65/197360265.db2.gz NGQFOEDJJSEENU-RDBSUJKOSA-N 1 2 309.362 1.357 20 70 DDIDLO O=C1OCC[C@H]1CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159510872 197360266 /nfs/dbraw/zinc/36/02/66/197360266.db2.gz NGQFOEDJJSEENU-RDBSUJKOSA-N 1 2 309.362 1.357 20 70 DDIDLO CCC[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CCO1 ZINC000159753712 408430113 /nfs/dbraw/zinc/43/01/13/408430113.db2.gz NVTFQVAEZPLCOM-AWEZNQCLSA-N 1 2 306.410 1.858 20 70 DDIDLO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161106473 408561526 /nfs/dbraw/zinc/56/15/26/408561526.db2.gz PKHNPKODYNLTGV-KGLIPLIRSA-N 1 2 318.421 1.209 20 70 DDIDLO CCc1onc(C)c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161248634 408579119 /nfs/dbraw/zinc/57/91/19/408579119.db2.gz VPPAGYCFZXFGAR-GFCCVEGCSA-N 1 2 300.362 1.949 20 70 DDIDLO COc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1O ZINC000161371068 408595431 /nfs/dbraw/zinc/59/54/31/408595431.db2.gz DEIIUNBWKURFTA-LBPRGKRZSA-N 1 2 313.357 1.805 20 70 DDIDLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)[C@H](O)Cc1ccccc1 ZINC000160955651 408541774 /nfs/dbraw/zinc/54/17/74/408541774.db2.gz ALBMESAVNNNHPY-GDBMZVCRSA-N 1 2 316.405 1.565 20 70 DDIDLO O=C(NCCc1cscn1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000159469685 526456754 /nfs/dbraw/zinc/45/67/54/526456754.db2.gz SHSVJYATICJPGR-CQSZACIVSA-N 1 2 324.450 1.192 20 70 DDIDLO CCCCn1ncc(NC(=O)N(C)CC[NH+]2CCOCC2)c1C ZINC000160150532 290767689 /nfs/dbraw/zinc/76/76/89/290767689.db2.gz KNEDOSSKCWFBOR-UHFFFAOYSA-N 1 2 323.441 1.788 20 70 DDIDLO Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159377318 197349260 /nfs/dbraw/zinc/34/92/60/197349260.db2.gz GBYNMAYZXDTYHX-GFCCVEGCSA-N 1 2 322.390 1.244 20 70 DDIDLO C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160424669 162148308 /nfs/dbraw/zinc/14/83/08/162148308.db2.gz KCEAGOALPHWHDH-CZUORRHYSA-N 1 2 320.408 1.984 20 70 DDIDLO C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160424669 162148310 /nfs/dbraw/zinc/14/83/10/162148310.db2.gz KCEAGOALPHWHDH-CZUORRHYSA-N 1 2 320.408 1.984 20 70 DDIDLO CCOc1c(C[N@@H+]2CCC[C@@H]2C(N)=O)c(C)nn1CC(C)C ZINC000160308866 408467641 /nfs/dbraw/zinc/46/76/41/408467641.db2.gz KIQIHNCDZHFLKL-CQSZACIVSA-N 1 2 308.426 1.696 20 70 DDIDLO CCOc1c(C[N@H+]2CCC[C@@H]2C(N)=O)c(C)nn1CC(C)C ZINC000160308866 408467642 /nfs/dbraw/zinc/46/76/42/408467642.db2.gz KIQIHNCDZHFLKL-CQSZACIVSA-N 1 2 308.426 1.696 20 70 DDIDLO COCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160389567 408478166 /nfs/dbraw/zinc/47/81/66/408478166.db2.gz MKMQAGIXWQUSRI-MRXNPFEDSA-N 1 2 320.433 1.676 20 70 DDIDLO COCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160389567 408478169 /nfs/dbraw/zinc/47/81/69/408478169.db2.gz MKMQAGIXWQUSRI-MRXNPFEDSA-N 1 2 320.433 1.676 20 70 DDIDLO CC[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cnn(C)c1 ZINC000161079113 408556145 /nfs/dbraw/zinc/55/61/45/408556145.db2.gz LTJTVOKSQYYTII-UHFFFAOYSA-N 1 2 318.396 1.740 20 70 DDIDLO CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cnn(C)c1 ZINC000161079113 408556151 /nfs/dbraw/zinc/55/61/51/408556151.db2.gz LTJTVOKSQYYTII-UHFFFAOYSA-N 1 2 318.396 1.740 20 70 DDIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000160074840 520718721 /nfs/dbraw/zinc/71/87/21/520718721.db2.gz BMRVVIPZGNKUSD-AWEZNQCLSA-N 1 2 323.437 1.787 20 70 DDIDLO C[N@H+](CC(=O)Nc1cccc2c1N=S=N2)CC(C)(CO)CO ZINC000159549280 186126397 /nfs/dbraw/zinc/12/63/97/186126397.db2.gz DUNKEJGAKVHCCT-UHFFFAOYSA-N 1 2 324.406 1.274 20 70 DDIDLO C[N@@H+](CC(=O)Nc1cccc2c1N=S=N2)CC(C)(CO)CO ZINC000159549280 186126398 /nfs/dbraw/zinc/12/63/98/186126398.db2.gz DUNKEJGAKVHCCT-UHFFFAOYSA-N 1 2 324.406 1.274 20 70 DDIDLO COc1nc(C)nc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1C ZINC000159408046 197351567 /nfs/dbraw/zinc/35/15/67/197351567.db2.gz ZSLBEUVPVHLTOR-JTQLQIEISA-N 1 2 321.450 1.715 20 70 DDIDLO CS(=O)(=O)c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000159408808 408405342 /nfs/dbraw/zinc/40/53/42/408405342.db2.gz RXUAXFRKCLRERA-AWEZNQCLSA-N 1 2 324.446 1.249 20 70 DDIDLO C[C@H](C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)CS(C)(=O)=O ZINC000159502796 408413487 /nfs/dbraw/zinc/41/34/87/408413487.db2.gz JZHFGIIKTOMQDH-RHSMWYFYSA-N 1 2 323.458 1.841 20 70 DDIDLO C[C@H](C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)CS(C)(=O)=O ZINC000159502796 408413492 /nfs/dbraw/zinc/41/34/92/408413492.db2.gz JZHFGIIKTOMQDH-RHSMWYFYSA-N 1 2 323.458 1.841 20 70 DDIDLO CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000159702331 408427083 /nfs/dbraw/zinc/42/70/83/408427083.db2.gz ACWQKDKXHJTDGL-LLVKDONJSA-N 1 2 320.393 1.080 20 70 DDIDLO C[C@@H](CO)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160399346 408479969 /nfs/dbraw/zinc/47/99/69/408479969.db2.gz OGZHJDAMVAEWBM-KGLIPLIRSA-N 1 2 323.412 1.081 20 70 DDIDLO CC[N@H+](CC1=Cc2ccccc2OC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160562282 408497434 /nfs/dbraw/zinc/49/74/34/408497434.db2.gz KYQCKPLOTAWEJE-OAHLLOKOSA-N 1 2 307.415 1.971 20 70 DDIDLO CC[N@@H+](CC1=Cc2ccccc2OC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160562282 408497437 /nfs/dbraw/zinc/49/74/37/408497437.db2.gz KYQCKPLOTAWEJE-OAHLLOKOSA-N 1 2 307.415 1.971 20 70 DDIDLO CCc1cc(=O)[nH]c(C[N@H+](CCC(N)=O)Cc2ccccc2)n1 ZINC000160600895 408502451 /nfs/dbraw/zinc/50/24/51/408502451.db2.gz FMIUCRKJRVJYQU-UHFFFAOYSA-N 1 2 314.389 1.622 20 70 DDIDLO CCc1cc(=O)[nH]c(C[N@@H+](CCC(N)=O)Cc2ccccc2)n1 ZINC000160600895 408502456 /nfs/dbraw/zinc/50/24/56/408502456.db2.gz FMIUCRKJRVJYQU-UHFFFAOYSA-N 1 2 314.389 1.622 20 70 DDIDLO COc1ccccc1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000160777497 408522766 /nfs/dbraw/zinc/52/27/66/408522766.db2.gz ZOEOHDIHTXKPHQ-UHFFFAOYSA-N 1 2 314.389 1.387 20 70 DDIDLO COCc1nc2n(n1)C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)CC2 ZINC000161375584 408595352 /nfs/dbraw/zinc/59/53/52/408595352.db2.gz JFUSWJIFJPUTRF-LLVKDONJSA-N 1 2 316.409 1.939 20 70 DDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc2c(s1)CCC2 ZINC000160395500 526550964 /nfs/dbraw/zinc/55/09/64/526550964.db2.gz LPMPDGHXCHNCSB-CYBMUJFWSA-N 1 2 306.431 1.830 20 70 DDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc2c(s1)CCC2 ZINC000160395500 526550969 /nfs/dbraw/zinc/55/09/69/526550969.db2.gz LPMPDGHXCHNCSB-CYBMUJFWSA-N 1 2 306.431 1.830 20 70 DDIDLO CC(C)C[NH+]1CCN(c2cc(S(=O)(=O)F)ccn2)CC1 ZINC001164663156 719340470 /nfs/dbraw/zinc/34/04/70/719340470.db2.gz VGXIIJSZPIAVPT-UHFFFAOYSA-N 1 2 301.387 1.518 20 70 DDIDLO CS(=O)(=O)CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000161089159 539220903 /nfs/dbraw/zinc/22/09/03/539220903.db2.gz PLBMFRHYFWQWQW-UHFFFAOYSA-N 1 2 314.426 1.773 20 70 DDIDLO Cc1ncc(Cl)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000161394651 539221583 /nfs/dbraw/zinc/22/15/83/539221583.db2.gz RXJSRCWXPSLISK-LLVKDONJSA-N 1 2 317.780 1.842 20 70 DDIDLO CCC(C)(C)NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161298659 290783565 /nfs/dbraw/zinc/78/35/65/290783565.db2.gz BHXSQVYZTHEZSX-LBPRGKRZSA-N 1 2 310.360 1.926 20 70 DDIDLO COC(=O)[C@@H]1C[N@H+](CCC(=O)c2ccc(C)cc2)C[C@@H](C)O1 ZINC000160175774 354238318 /nfs/dbraw/zinc/23/83/18/354238318.db2.gz KZVXQGJUUISWQV-CJNGLKHVSA-N 1 2 305.374 1.830 20 70 DDIDLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)c2ccc(C)cc2)C[C@@H](C)O1 ZINC000160175774 354238321 /nfs/dbraw/zinc/23/83/21/354238321.db2.gz KZVXQGJUUISWQV-CJNGLKHVSA-N 1 2 305.374 1.830 20 70 DDIDLO C[C@H](CNC(=O)NCc1nc(C2CC2)cs1)[NH+]1CCOCC1 ZINC000159891913 197371825 /nfs/dbraw/zinc/37/18/25/197371825.db2.gz SWQYVYCVEZPLIY-LLVKDONJSA-N 1 2 324.450 1.540 20 70 DDIDLO COC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000159894285 408443681 /nfs/dbraw/zinc/44/36/81/408443681.db2.gz JVTGRUVCUGKALY-SNVBAGLBSA-N 1 2 311.407 1.207 20 70 DDIDLO O=C1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CCN1 ZINC000160500646 408490216 /nfs/dbraw/zinc/49/02/16/408490216.db2.gz JPVXDYAWIIFNER-UHFFFAOYSA-N 1 2 306.369 1.957 20 70 DDIDLO O=C1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CCN1 ZINC000160500646 408490219 /nfs/dbraw/zinc/49/02/19/408490219.db2.gz JPVXDYAWIIFNER-UHFFFAOYSA-N 1 2 306.369 1.957 20 70 DDIDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160729567 408517326 /nfs/dbraw/zinc/51/73/26/408517326.db2.gz RBSPNEPJHJGWME-CQSZACIVSA-N 1 2 313.405 1.535 20 70 DDIDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160729567 408517329 /nfs/dbraw/zinc/51/73/29/408517329.db2.gz RBSPNEPJHJGWME-CQSZACIVSA-N 1 2 313.405 1.535 20 70 DDIDLO Cn1cc[nH+]c1CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000160742986 408519282 /nfs/dbraw/zinc/51/92/82/408519282.db2.gz HVSRPBBMKJXKBS-UHFFFAOYSA-N 1 2 313.405 1.176 20 70 DDIDLO O=C(NC[C@H](O)c1cccc(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160747707 408520852 /nfs/dbraw/zinc/52/08/52/408520852.db2.gz BTFUJHQODABNAB-OCCSQVGLSA-N 1 2 303.337 1.434 20 70 DDIDLO CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(C)(C)c1ccccc1 ZINC000160763578 408522780 /nfs/dbraw/zinc/52/27/80/408522780.db2.gz SBANDARDOBUZIX-HNNXBMFYSA-N 1 2 317.433 1.291 20 70 DDIDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1cnn(C)c1 ZINC000161055758 408553794 /nfs/dbraw/zinc/55/37/94/408553794.db2.gz WUEGDOLTRLNXRP-CQSZACIVSA-N 1 2 312.417 1.825 20 70 DDIDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1cnn(C)c1 ZINC000161055758 408553799 /nfs/dbraw/zinc/55/37/99/408553799.db2.gz WUEGDOLTRLNXRP-CQSZACIVSA-N 1 2 312.417 1.825 20 70 DDIDLO CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1cnn(C)c1 ZINC000161101877 408558826 /nfs/dbraw/zinc/55/88/26/408558826.db2.gz PXJINSFJOXIJNY-UHFFFAOYSA-N 1 2 315.377 1.590 20 70 DDIDLO CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1cnn(C)c1 ZINC000161101877 408558829 /nfs/dbraw/zinc/55/88/29/408558829.db2.gz PXJINSFJOXIJNY-UHFFFAOYSA-N 1 2 315.377 1.590 20 70 DDIDLO CC(C)(C)[C@@H](CCO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000161220152 408574672 /nfs/dbraw/zinc/57/46/72/408574672.db2.gz FSCMOGANFIQDJJ-CYBMUJFWSA-N 1 2 315.458 1.194 20 70 DDIDLO Cn1c2cccc(C(=O)N3CC[NH+](C4CC4)CC3)c2oc1=O ZINC000161408241 408600275 /nfs/dbraw/zinc/60/02/75/408600275.db2.gz FWCFXAKVRAKWSL-UHFFFAOYSA-N 1 2 301.346 1.052 20 70 DDIDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000160867006 408533021 /nfs/dbraw/zinc/53/30/21/408533021.db2.gz KNRDNERAQBWDBZ-SJORKVTESA-N 1 2 318.417 1.745 20 70 DDIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C)n1 ZINC000159855595 302026351 /nfs/dbraw/zinc/02/63/51/302026351.db2.gz IQCXBUZJNVUROK-ZFWWWQNUSA-N 1 2 318.421 1.120 20 70 DDIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C)n1 ZINC000159855595 302026355 /nfs/dbraw/zinc/02/63/55/302026355.db2.gz IQCXBUZJNVUROK-ZFWWWQNUSA-N 1 2 318.421 1.120 20 70 DDIDLO c1cn(CCSc2nnc(N3CCOCC3)n2C2CC2)c[nH+]1 ZINC000159754374 539219119 /nfs/dbraw/zinc/21/91/19/539219119.db2.gz CETFLNSBDUKUCG-UHFFFAOYSA-N 1 2 320.422 1.438 20 70 DDIDLO Cc1csc(N2CC[NH+](CCCCS(C)(=O)=O)CC2)n1 ZINC000161434794 539221548 /nfs/dbraw/zinc/22/15/48/539221548.db2.gz KNOQWHVLSZNVRV-UHFFFAOYSA-N 1 2 317.480 1.398 20 70 DDIDLO CN(CC(F)(F)F)C(=O)CSCC[NH+]1CCOCC1 ZINC000159946191 290765043 /nfs/dbraw/zinc/76/50/43/290765043.db2.gz DSWTYNZUQAFPFH-UHFFFAOYSA-N 1 2 300.346 1.073 20 70 DDIDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159614959 186130756 /nfs/dbraw/zinc/13/07/56/186130756.db2.gz ZWADYGHFMNFIFH-CJNGLKHVSA-N 1 2 304.390 1.921 20 70 DDIDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159614959 186130758 /nfs/dbraw/zinc/13/07/58/186130758.db2.gz ZWADYGHFMNFIFH-CJNGLKHVSA-N 1 2 304.390 1.921 20 70 DDIDLO COC(=O)[C@H]1C[N@H+](CCC(=O)c2ccc(C)cc2)C[C@@H](C)O1 ZINC000160175912 197391160 /nfs/dbraw/zinc/39/11/60/197391160.db2.gz KZVXQGJUUISWQV-CZUORRHYSA-N 1 2 305.374 1.830 20 70 DDIDLO COC(=O)[C@H]1C[N@@H+](CCC(=O)c2ccc(C)cc2)C[C@@H](C)O1 ZINC000160175912 197391161 /nfs/dbraw/zinc/39/11/61/197391161.db2.gz KZVXQGJUUISWQV-CZUORRHYSA-N 1 2 305.374 1.830 20 70 DDIDLO Cc1nnc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160112494 197386087 /nfs/dbraw/zinc/38/60/87/197386087.db2.gz MDFHGGAVZYNFRN-SNVBAGLBSA-N 1 2 304.379 1.642 20 70 DDIDLO CC(C)(C)c1nsc(NC[C@](C)(O)C[NH+]2CCOCC2)n1 ZINC000159638504 408423334 /nfs/dbraw/zinc/42/33/34/408423334.db2.gz YEGGVOJVWXRZHU-AWEZNQCLSA-N 1 2 314.455 1.331 20 70 DDIDLO CC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1cnn(C)c1 ZINC000161111310 408561726 /nfs/dbraw/zinc/56/17/26/408561726.db2.gz GZQWQJBHMHUDLB-UHFFFAOYSA-N 1 2 318.446 1.888 20 70 DDIDLO CC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1cnn(C)c1 ZINC000161111310 408561730 /nfs/dbraw/zinc/56/17/30/408561730.db2.gz GZQWQJBHMHUDLB-UHFFFAOYSA-N 1 2 318.446 1.888 20 70 DDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCc1ccco1 ZINC000161145018 408564953 /nfs/dbraw/zinc/56/49/53/408564953.db2.gz PKVPEFJNBALIPN-UHFFFAOYSA-N 1 2 314.389 1.109 20 70 DDIDLO C[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000161155983 408565379 /nfs/dbraw/zinc/56/53/79/408565379.db2.gz JRFSCKHJVHIWAB-INIZCTEOSA-N 1 2 316.449 1.458 20 70 DDIDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC000161155983 408565385 /nfs/dbraw/zinc/56/53/85/408565385.db2.gz JRFSCKHJVHIWAB-INIZCTEOSA-N 1 2 316.449 1.458 20 70 DDIDLO CN(CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)OC(C)(C)C ZINC000161158558 408565805 /nfs/dbraw/zinc/56/58/05/408565805.db2.gz ATNVHDPQBVXNDJ-GFCCVEGCSA-N 1 2 322.409 1.429 20 70 DDIDLO Cc1cccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)c1C ZINC000161177590 408569671 /nfs/dbraw/zinc/56/96/71/408569671.db2.gz TZNGXIZOWVMTOM-UHFFFAOYSA-N 1 2 321.402 1.590 20 70 DDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc2nncn2c1 ZINC000161391358 408597884 /nfs/dbraw/zinc/59/78/84/408597884.db2.gz WTBREQWYLSUKKA-CYBMUJFWSA-N 1 2 308.345 1.133 20 70 DDIDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccco3)C2)CC1 ZINC000216970733 418560409 /nfs/dbraw/zinc/56/04/09/418560409.db2.gz AJQDYDMDPVGIPG-OAHLLOKOSA-N 1 2 305.422 1.451 20 70 DDIDLO C[C@@H](CCO)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159719521 186137533 /nfs/dbraw/zinc/13/75/33/186137533.db2.gz BYDUOLJZHKZBQO-DZKIICNBSA-N 1 2 305.422 1.577 20 70 DDIDLO C[C@@H](CCO)NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159719521 186137534 /nfs/dbraw/zinc/13/75/34/186137534.db2.gz BYDUOLJZHKZBQO-DZKIICNBSA-N 1 2 305.422 1.577 20 70 DDIDLO CCOC(=O)CC1CC[NH+](Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000160767969 197437407 /nfs/dbraw/zinc/43/74/07/197437407.db2.gz JRYYOGCDGNUFPV-UHFFFAOYSA-N 1 2 307.394 1.910 20 70 DDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NCc1ccccc1 ZINC000159844555 197368278 /nfs/dbraw/zinc/36/82/78/197368278.db2.gz MXOCLCSWJNZHDM-AWEZNQCLSA-N 1 2 308.447 1.757 20 70 DDIDLO Cc1c(CNC(=O)NCCc2cn3ccccc3[nH+]2)cnn1C ZINC000159466818 197356030 /nfs/dbraw/zinc/35/60/30/197356030.db2.gz KRPUDZYQZXVYBY-UHFFFAOYSA-N 1 2 312.377 1.418 20 70 DDIDLO C[C@@H](C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)CS(C)(=O)=O ZINC000159502650 408414038 /nfs/dbraw/zinc/41/40/38/408414038.db2.gz JZHFGIIKTOMQDH-WMLDXEAASA-N 1 2 323.458 1.841 20 70 DDIDLO C[C@@H](C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)CS(C)(=O)=O ZINC000159502650 408414044 /nfs/dbraw/zinc/41/40/44/408414044.db2.gz JZHFGIIKTOMQDH-WMLDXEAASA-N 1 2 323.458 1.841 20 70 DDIDLO COC(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000159658527 408425829 /nfs/dbraw/zinc/42/58/29/408425829.db2.gz GHBZVTFLTGFXSA-UHFFFAOYSA-N 1 2 302.374 1.461 20 70 DDIDLO CN(CCC1CCOCC1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000160546374 408495205 /nfs/dbraw/zinc/49/52/05/408495205.db2.gz PCKOEDPRWNOWJX-OAHLLOKOSA-N 1 2 320.437 1.691 20 70 DDIDLO CN(CCC1CCOCC1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000160546374 408495211 /nfs/dbraw/zinc/49/52/11/408495211.db2.gz PCKOEDPRWNOWJX-OAHLLOKOSA-N 1 2 320.437 1.691 20 70 DDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000160320386 408471293 /nfs/dbraw/zinc/47/12/93/408471293.db2.gz BFLOCVOLFBLFIC-GFCCVEGCSA-N 1 2 306.316 1.805 20 70 DDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000160320386 408471298 /nfs/dbraw/zinc/47/12/98/408471298.db2.gz BFLOCVOLFBLFIC-GFCCVEGCSA-N 1 2 306.316 1.805 20 70 DDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)NCC1CCCCC1 ZINC000161169992 408568524 /nfs/dbraw/zinc/56/85/24/408568524.db2.gz XQKCVEZRJGPNHD-UHFFFAOYSA-N 1 2 313.423 1.031 20 70 DDIDLO Cn1cnc2cc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)ccc21 ZINC000161323676 408586295 /nfs/dbraw/zinc/58/62/95/408586295.db2.gz XAIZTWDQEBRQRT-CQSZACIVSA-N 1 2 321.384 1.977 20 70 DDIDLO CS[C@H](C)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000216931821 484142499 /nfs/dbraw/zinc/14/24/99/484142499.db2.gz ASLSUUAHQVVKLX-UKRRQHHQSA-N 1 2 308.447 1.616 20 70 DDIDLO CC[C@@H](C)NC(=O)[C@H](SCC[NH+]1CCOCC1)C(C)C ZINC000159866296 290764032 /nfs/dbraw/zinc/76/40/32/290764032.db2.gz MNTBYNQOGCPQIY-ZIAGYGMSSA-N 1 2 302.484 1.991 20 70 DDIDLO O=C(CCc1cc2ccccc2[nH]c1=O)NCCn1cc[nH+]c1 ZINC000160376281 290770979 /nfs/dbraw/zinc/77/09/79/290770979.db2.gz OTDROELZWQJFGA-UHFFFAOYSA-N 1 2 310.357 1.474 20 70 DDIDLO O=C(N[C@@H]1CCc2ncnn2C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000161069583 295798667 /nfs/dbraw/zinc/79/86/67/295798667.db2.gz NEOJLKCVVNHHBB-VXGBXAGGSA-N 1 2 315.381 1.253 20 70 DDIDLO Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000159721195 186137508 /nfs/dbraw/zinc/13/75/08/186137508.db2.gz UYUROVRKJXNZCA-UHFFFAOYSA-N 1 2 318.421 1.754 20 70 DDIDLO CCc1nnc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)[nH]1 ZINC000160305062 197398948 /nfs/dbraw/zinc/39/89/48/197398948.db2.gz JEWWFUSLGXPQFD-AWEZNQCLSA-N 1 2 313.405 1.820 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cc2ccccc2s1 ZINC000159799236 197365086 /nfs/dbraw/zinc/36/50/86/197365086.db2.gz KIHWEEYOPZUESJ-ZDUSSCGKSA-N 1 2 318.398 1.765 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000159799236 197365089 /nfs/dbraw/zinc/36/50/89/197365089.db2.gz KIHWEEYOPZUESJ-ZDUSSCGKSA-N 1 2 318.398 1.765 20 70 DDIDLO COCCCNC(=O)C[N@H+](C)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000159469916 408411280 /nfs/dbraw/zinc/41/12/80/408411280.db2.gz QZRKYDAVKRKOCE-LLVKDONJSA-N 1 2 312.366 1.212 20 70 DDIDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000159469916 408411284 /nfs/dbraw/zinc/41/12/84/408411284.db2.gz QZRKYDAVKRKOCE-LLVKDONJSA-N 1 2 312.366 1.212 20 70 DDIDLO CCc1nnc(C[NH2+][C@H](CC)c2cccc(S(N)(=O)=O)c2)[nH]1 ZINC000160418707 408480683 /nfs/dbraw/zinc/48/06/83/408480683.db2.gz DZRZJOYDMKHJTG-GFCCVEGCSA-N 1 2 323.422 1.255 20 70 DDIDLO CCc1nc([C@H](C)NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cs1 ZINC000160182774 408463312 /nfs/dbraw/zinc/46/33/12/408463312.db2.gz DNAXOYMHNYHWRG-CYZMBNFOSA-N 1 2 324.450 1.491 20 70 DDIDLO CCc1nc([C@H](C)NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cs1 ZINC000160182774 408463316 /nfs/dbraw/zinc/46/33/16/408463316.db2.gz DNAXOYMHNYHWRG-CYZMBNFOSA-N 1 2 324.450 1.491 20 70 DDIDLO CC(C)CCOc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000160309293 408467515 /nfs/dbraw/zinc/46/75/15/408467515.db2.gz YYCSSFRFQDMRDY-UHFFFAOYSA-N 1 2 319.405 1.482 20 70 DDIDLO CN1C(=O)CCc2cc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000161426394 408600227 /nfs/dbraw/zinc/60/02/27/408600227.db2.gz NCSLJRAGGXLYLV-CYBMUJFWSA-N 1 2 324.384 1.993 20 70 DDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(F)c(F)c(F)c1 ZINC000160387683 526551265 /nfs/dbraw/zinc/55/12/65/526551265.db2.gz SFFFKICHNYHBEP-LLVKDONJSA-N 1 2 314.307 1.697 20 70 DDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(F)c(F)c(F)c1 ZINC000160387683 526551270 /nfs/dbraw/zinc/55/12/70/526551270.db2.gz SFFFKICHNYHBEP-LLVKDONJSA-N 1 2 314.307 1.697 20 70 DDIDLO O=C(NCCOc1ccc(F)cc1F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161461287 354243821 /nfs/dbraw/zinc/24/38/21/354243821.db2.gz APDHKPNNTATYAF-LLVKDONJSA-N 1 2 321.327 1.919 20 70 DDIDLO C[C@H](Cc1ccccc1F)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000160157469 354237362 /nfs/dbraw/zinc/23/73/62/354237362.db2.gz SQNISPVJIBGAKF-CABCVRRESA-N 1 2 321.440 1.756 20 70 DDIDLO O=C(NCCc1cscn1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000159469829 408411794 /nfs/dbraw/zinc/41/17/94/408411794.db2.gz SHSVJYATICJPGR-AWEZNQCLSA-N 1 2 324.450 1.192 20 70 DDIDLO COCCNc1nc(N2CCC[C@H]2C)nc(N2CCC[C@@H]2C)[nH+]1 ZINC000160756599 408519828 /nfs/dbraw/zinc/51/98/28/408519828.db2.gz UYIUFMFINGSYQN-BETUJISGSA-N 1 2 320.441 1.907 20 70 DDIDLO COCCNc1nc(N2CCC[C@@H]2C)nc(N2CCC[C@H]2C)[nH+]1 ZINC000160756599 408519833 /nfs/dbraw/zinc/51/98/33/408519833.db2.gz UYIUFMFINGSYQN-BETUJISGSA-N 1 2 320.441 1.907 20 70 DDIDLO O=C(NCc1cccnc1-n1cc[nH+]c1)NOCc1cccnc1 ZINC000161067122 408557183 /nfs/dbraw/zinc/55/71/83/408557183.db2.gz CEXYXGOFNTUWRQ-UHFFFAOYSA-N 1 2 324.344 1.593 20 70 DDIDLO COc1cc(F)c(C(=O)NCCCn2cc[nH+]c2)cc1OC ZINC000161184742 408568031 /nfs/dbraw/zinc/56/80/31/408568031.db2.gz BBUBYEQMODQFGZ-UHFFFAOYSA-N 1 2 307.325 1.860 20 70 DDIDLO C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161191004 408571986 /nfs/dbraw/zinc/57/19/86/408571986.db2.gz JWUBZTJUMJPPOI-LBPRGKRZSA-N 1 2 321.402 1.040 20 70 DDIDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCN1c1ccccc1 ZINC000160065135 197383632 /nfs/dbraw/zinc/38/36/32/197383632.db2.gz SFKKPZFTCDAXFQ-HNNXBMFYSA-N 1 2 306.431 1.857 20 70 DDIDLO Cc1ccsc1CNC(=O)CSCC[NH+]1CCOCC1 ZINC000160025092 197380141 /nfs/dbraw/zinc/38/01/41/197380141.db2.gz QRMTXQAQDKMCFT-UHFFFAOYSA-N 1 2 314.476 1.738 20 70 DDIDLO CS(=O)(=O)NCC[C@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000160407414 408480112 /nfs/dbraw/zinc/48/01/12/408480112.db2.gz LPPGKPSAWHRCHF-CYBMUJFWSA-N 1 2 324.450 1.652 20 70 DDIDLO Cc1cc2[nH+]cn(CC(=O)NCC(=O)NC(C)(C)C)c2cc1C ZINC000160624717 408505685 /nfs/dbraw/zinc/50/56/85/408505685.db2.gz BJJTVFAYNASXQZ-UHFFFAOYSA-N 1 2 316.405 1.684 20 70 DDIDLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000161000095 408548880 /nfs/dbraw/zinc/54/88/80/408548880.db2.gz XMNVKIVGPIQBFQ-PBHICJAKSA-N 1 2 303.406 1.971 20 70 DDIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)[nH]1 ZINC000160364783 522348522 /nfs/dbraw/zinc/34/85/22/522348522.db2.gz YLBAFRRTLSSDJQ-VIFPVBQESA-N 1 2 301.350 1.549 20 70 DDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(F)c(F)c(F)c1 ZINC000160387821 526622104 /nfs/dbraw/zinc/62/21/04/526622104.db2.gz SFFFKICHNYHBEP-NSHDSACASA-N 1 2 314.307 1.697 20 70 DDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(F)c(F)c(F)c1 ZINC000160387821 526622108 /nfs/dbraw/zinc/62/21/08/526622108.db2.gz SFFFKICHNYHBEP-NSHDSACASA-N 1 2 314.307 1.697 20 70 DDIDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(CO)CO)cc1 ZINC000159533645 186125298 /nfs/dbraw/zinc/12/52/98/186125298.db2.gz PBXFLCNSDDLTNB-LBPRGKRZSA-N 1 2 322.405 1.139 20 70 DDIDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(CO)CO)cc1 ZINC000159533645 186125300 /nfs/dbraw/zinc/12/53/00/186125300.db2.gz PBXFLCNSDDLTNB-LBPRGKRZSA-N 1 2 322.405 1.139 20 70 DDIDLO COc1ccc(C(=O)NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159584078 186128791 /nfs/dbraw/zinc/12/87/91/186128791.db2.gz XZRCAZNSKCTUDF-HIFRSBDPSA-N 1 2 320.389 1.044 20 70 DDIDLO COc1ccc(C(=O)NC(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159584078 186128793 /nfs/dbraw/zinc/12/87/93/186128793.db2.gz XZRCAZNSKCTUDF-HIFRSBDPSA-N 1 2 320.389 1.044 20 70 DDIDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159678668 186135233 /nfs/dbraw/zinc/13/52/33/186135233.db2.gz XSEGSZYEDILXQL-HOCLYGCPSA-N 1 2 304.390 1.921 20 70 DDIDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159678668 186135236 /nfs/dbraw/zinc/13/52/36/186135236.db2.gz XSEGSZYEDILXQL-HOCLYGCPSA-N 1 2 304.390 1.921 20 70 DDIDLO CCOC(=O)C1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160235670 197395269 /nfs/dbraw/zinc/39/52/69/197395269.db2.gz UWPRHIMBIARNNJ-MOKVOYLWSA-N 1 2 319.405 1.684 20 70 DDIDLO CC(=O)c1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159860307 197368927 /nfs/dbraw/zinc/36/89/27/197368927.db2.gz OPCIPCVVGRZICG-HOCLYGCPSA-N 1 2 304.390 1.921 20 70 DDIDLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159860307 197368929 /nfs/dbraw/zinc/36/89/29/197368929.db2.gz OPCIPCVVGRZICG-HOCLYGCPSA-N 1 2 304.390 1.921 20 70 DDIDLO CCN(CC)c1ccc(CNC(=O)c2cccc(=O)n2C)c[nH+]1 ZINC000159775399 197363784 /nfs/dbraw/zinc/36/37/84/197363784.db2.gz AXOWXXPCHJJSAJ-UHFFFAOYSA-N 1 2 314.389 1.557 20 70 DDIDLO O=C(NC[C@H](O)c1ccsc1)C1([NH+]2CCOCC2)CCCC1 ZINC000159536955 408415514 /nfs/dbraw/zinc/41/55/14/408415514.db2.gz ATFCBAJBSYRWDA-AWEZNQCLSA-N 1 2 324.446 1.543 20 70 DDIDLO CCC[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CCO1 ZINC000159753624 408430891 /nfs/dbraw/zinc/43/08/91/408430891.db2.gz NVTFQVAEZPLCOM-CQSZACIVSA-N 1 2 306.410 1.858 20 70 DDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N1CCCCCC1 ZINC000159920210 408444654 /nfs/dbraw/zinc/44/46/54/408444654.db2.gz AAMWIWZTBLUGEA-AWEZNQCLSA-N 1 2 300.468 1.843 20 70 DDIDLO CC(C)(CNC(=O)N[C@H]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC000161042644 408554399 /nfs/dbraw/zinc/55/43/99/408554399.db2.gz IUZCHSOPZPRFNB-ZDUSSCGKSA-N 1 2 313.442 1.354 20 70 DDIDLO Cc1ccc(C(=O)CC[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000161308477 408586903 /nfs/dbraw/zinc/58/69/03/408586903.db2.gz CZCIJMNXQPFNBP-CQSZACIVSA-N 1 2 304.390 1.093 20 70 DDIDLO CC[NH+]1CCN([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)CC1 ZINC000161350901 408591175 /nfs/dbraw/zinc/59/11/75/408591175.db2.gz LYDIFYOFXLZTGN-SFHVURJKSA-N 1 2 308.514 1.574 20 70 DDIDLO CC[C@H](O)CCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000160895656 408538052 /nfs/dbraw/zinc/53/80/52/408538052.db2.gz ZTYQEEGGNBARRV-LBPRGKRZSA-N 1 2 310.785 1.948 20 70 DDIDLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)[C@@H](O)Cc1ccccc1 ZINC000160955783 408542006 /nfs/dbraw/zinc/54/20/06/408542006.db2.gz ALBMESAVNNNHPY-HOCLYGCPSA-N 1 2 316.405 1.565 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1(C)CCCS1 ZINC000160315811 197399747 /nfs/dbraw/zinc/39/97/47/197399747.db2.gz RZIWMZPLZZDPGH-TZMCWYRMSA-N 1 2 301.456 1.292 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cc2ccccc2s1 ZINC000159799112 197365796 /nfs/dbraw/zinc/36/57/96/197365796.db2.gz KIHWEEYOPZUESJ-CYBMUJFWSA-N 1 2 318.398 1.765 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000159799112 197365797 /nfs/dbraw/zinc/36/57/97/197365797.db2.gz KIHWEEYOPZUESJ-CYBMUJFWSA-N 1 2 318.398 1.765 20 70 DDIDLO CCCn1c(C)nnc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000159825484 408439267 /nfs/dbraw/zinc/43/92/67/408439267.db2.gz GGGGJDHDJOJBSG-MRXNPFEDSA-N 1 2 321.469 1.683 20 70 DDIDLO CCCn1c(C)nnc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000159825484 408439271 /nfs/dbraw/zinc/43/92/71/408439271.db2.gz GGGGJDHDJOJBSG-MRXNPFEDSA-N 1 2 321.469 1.683 20 70 DDIDLO COc1cc[nH+]cc1NC(=O)C(=O)Nc1cnn(CC(C)C)c1 ZINC000160480789 408485620 /nfs/dbraw/zinc/48/56/20/408485620.db2.gz UAAMSPXCCBZYHO-UHFFFAOYSA-N 1 2 317.349 1.520 20 70 DDIDLO COc1ccc([C@@H](CO)N(C)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000160530284 408492061 /nfs/dbraw/zinc/49/20/61/408492061.db2.gz IMISEOQHZJOYMF-OAHLLOKOSA-N 1 2 318.377 1.267 20 70 DDIDLO NC(=O)NC(=O)C1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000160835015 408529866 /nfs/dbraw/zinc/52/98/66/408529866.db2.gz NFPPLKWIEZQTFQ-UHFFFAOYSA-N 1 2 303.366 1.520 20 70 DDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000161210523 408573681 /nfs/dbraw/zinc/57/36/81/408573681.db2.gz FDWGHHTYHIZRBG-NSHDSACASA-N 1 2 315.439 1.682 20 70 DDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCCCC1 ZINC000161211435 408574055 /nfs/dbraw/zinc/57/40/55/408574055.db2.gz WLJZZJJVZSBQSL-UHFFFAOYSA-N 1 2 313.423 1.391 20 70 DDIDLO Cc1c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1CCC(C)C ZINC000161356439 408592259 /nfs/dbraw/zinc/59/22/59/408592259.db2.gz FQFWQVBDXOBJER-CQSZACIVSA-N 1 2 323.441 1.690 20 70 DDIDLO O=C(CSCC[NH+]1CCOCC1)NCCCc1ccccc1 ZINC000160046103 290766139 /nfs/dbraw/zinc/76/61/39/290766139.db2.gz GSCOKLOLHCLTPQ-UHFFFAOYSA-N 1 2 322.474 1.801 20 70 DDIDLO Cc1cccc(OCCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000160434599 162148406 /nfs/dbraw/zinc/14/84/06/162148406.db2.gz OQABLUXWESSOPW-KRWDZBQOSA-N 1 2 318.417 1.743 20 70 DDIDLO Cc1cccc(OCCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000160434599 162148408 /nfs/dbraw/zinc/14/84/08/162148408.db2.gz OQABLUXWESSOPW-KRWDZBQOSA-N 1 2 318.417 1.743 20 70 DDIDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159631478 408423126 /nfs/dbraw/zinc/42/31/26/408423126.db2.gz DLMQPNCXKRCHLP-HUUCEWRRSA-N 1 2 305.374 1.830 20 70 DDIDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159631478 408423139 /nfs/dbraw/zinc/42/31/39/408423139.db2.gz DLMQPNCXKRCHLP-HUUCEWRRSA-N 1 2 305.374 1.830 20 70 DDIDLO Cc1cc(F)ccc1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161006573 408549395 /nfs/dbraw/zinc/54/93/95/408549395.db2.gz MESBHMSGIMOKLO-MRXNPFEDSA-N 1 2 306.381 1.957 20 70 DDIDLO COCCC1(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000161027214 408551365 /nfs/dbraw/zinc/55/13/65/408551365.db2.gz OLKNYILIXABAKK-AWEZNQCLSA-N 1 2 306.410 1.874 20 70 DDIDLO CCc1ccccc1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161177998 408568247 /nfs/dbraw/zinc/56/82/47/408568247.db2.gz CFIINDZAWFHKIX-UHFFFAOYSA-N 1 2 321.402 1.536 20 70 DDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000160858573 408532597 /nfs/dbraw/zinc/53/25/97/408532597.db2.gz ZRASPYQEJUWBMG-UHFFFAOYSA-N 1 2 316.380 1.446 20 70 DDIDLO O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160155110 284333650 /nfs/dbraw/zinc/33/36/50/284333650.db2.gz ZLMIRFBXOZWJTN-SNVBAGLBSA-N 1 2 312.329 1.415 20 70 DDIDLO CCCCn1ncc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1C ZINC000160074491 197383649 /nfs/dbraw/zinc/38/36/49/197383649.db2.gz LTBSNQRBHQMFPH-ZDUSSCGKSA-N 1 2 309.414 1.444 20 70 DDIDLO CCCCn1ncc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1C ZINC000160074491 197383650 /nfs/dbraw/zinc/38/36/50/197383650.db2.gz LTBSNQRBHQMFPH-ZDUSSCGKSA-N 1 2 309.414 1.444 20 70 DDIDLO C(C[NH+]1CCOCC1)SCc1noc(C2CCOCC2)n1 ZINC000159938119 408447379 /nfs/dbraw/zinc/44/73/79/408447379.db2.gz DEDONOZZJHPHLF-UHFFFAOYSA-N 1 2 313.423 1.529 20 70 DDIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000160074708 408455251 /nfs/dbraw/zinc/45/52/51/408455251.db2.gz BMRVVIPZGNKUSD-CQSZACIVSA-N 1 2 323.437 1.787 20 70 DDIDLO C[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)[NH+]1CCSCC1 ZINC000160523105 408491878 /nfs/dbraw/zinc/49/18/78/408491878.db2.gz ITBXNWGIMURYHI-NSHDSACASA-N 1 2 308.403 1.815 20 70 DDIDLO Cc1cnccc1CCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000160850181 408529077 /nfs/dbraw/zinc/52/90/77/408529077.db2.gz MOFTVHWGLTZBGU-CABCVRRESA-N 1 2 320.437 1.341 20 70 DDIDLO CC[C@@H](COC)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160336475 408473746 /nfs/dbraw/zinc/47/37/46/408473746.db2.gz GXUPEGKQGZXVLJ-AWEZNQCLSA-N 1 2 306.410 1.334 20 70 DDIDLO CNC(=O)C(C)(C)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000161088841 408559747 /nfs/dbraw/zinc/55/97/47/408559747.db2.gz NLIOKDQCGPRLQP-UHFFFAOYSA-N 1 2 324.388 2.000 20 70 DDIDLO O=C(/C=C/C1CCOCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161316489 408587020 /nfs/dbraw/zinc/58/70/20/408587020.db2.gz SHCCXUCELFDMPH-MBVDDHJVSA-N 1 2 301.390 1.759 20 70 DDIDLO COC(=O)c1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1O ZINC000161416267 408599045 /nfs/dbraw/zinc/59/90/45/408599045.db2.gz VEMWMGRHSZFGSB-JTQLQIEISA-N 1 2 315.329 1.576 20 70 DDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1COc2ccccc21 ZINC000160361885 526621201 /nfs/dbraw/zinc/62/12/01/526621201.db2.gz KEDZAFQXLAXWPZ-DZGCQCFKSA-N 1 2 302.374 1.142 20 70 DDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1COc2ccccc21 ZINC000160361885 526621207 /nfs/dbraw/zinc/62/12/07/526621207.db2.gz KEDZAFQXLAXWPZ-DZGCQCFKSA-N 1 2 302.374 1.142 20 70 DDIDLO Cc1cc(S(=O)(=O)F)cnc1N1CC[NH+](CC(C)C)CC1 ZINC001164662606 719340493 /nfs/dbraw/zinc/34/04/93/719340493.db2.gz QHOZVWSYWVJIMS-UHFFFAOYSA-N 1 2 315.414 1.826 20 70 DDIDLO CC(C)(CNC(=O)NCc1ccccc1CO)[NH+]1CCOCC1 ZINC000161124945 354242669 /nfs/dbraw/zinc/24/26/69/354242669.db2.gz SJOVKDQIOTZSMR-UHFFFAOYSA-N 1 2 321.421 1.089 20 70 DDIDLO CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000160502044 197417013 /nfs/dbraw/zinc/41/70/13/197417013.db2.gz HSAAQEJYWMBTQS-SNVBAGLBSA-N 1 2 314.817 1.086 20 70 DDIDLO C[C@@H](NC(=O)CSCC[NH+]1CCOCC1)c1cccs1 ZINC000159841071 197368620 /nfs/dbraw/zinc/36/86/20/197368620.db2.gz ACHOEUYGVKLIJG-GFCCVEGCSA-N 1 2 314.476 1.991 20 70 DDIDLO Cc1[nH]ncc1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159466000 408410808 /nfs/dbraw/zinc/41/08/08/408410808.db2.gz NJAZQVHGXURMFG-ZDUSSCGKSA-N 1 2 300.428 1.012 20 70 DDIDLO Cc1[nH]ncc1C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159466000 408410813 /nfs/dbraw/zinc/41/08/13/408410813.db2.gz NJAZQVHGXURMFG-ZDUSSCGKSA-N 1 2 300.428 1.012 20 70 DDIDLO CCn1c(SCCn2cc[nH+]c2)nnc1-c1cnccn1 ZINC000160191965 408462950 /nfs/dbraw/zinc/46/29/50/408462950.db2.gz CALLBVHWBSZSRV-UHFFFAOYSA-N 1 2 301.379 1.744 20 70 DDIDLO CC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1cnn(C)c1 ZINC000161076993 408556475 /nfs/dbraw/zinc/55/64/75/408556475.db2.gz WANHUADVWIVQIP-UHFFFAOYSA-N 1 2 300.406 1.867 20 70 DDIDLO CC[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1cnn(C)c1 ZINC000161076993 408556480 /nfs/dbraw/zinc/55/64/80/408556480.db2.gz WANHUADVWIVQIP-UHFFFAOYSA-N 1 2 300.406 1.867 20 70 DDIDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161222241 408574976 /nfs/dbraw/zinc/57/49/76/408574976.db2.gz WHPVQBYLWADWBI-AWEZNQCLSA-N 1 2 304.438 1.502 20 70 DDIDLO C[C@@H](C(=O)NC(C)(C)C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161222241 408574977 /nfs/dbraw/zinc/57/49/77/408574977.db2.gz WHPVQBYLWADWBI-AWEZNQCLSA-N 1 2 304.438 1.502 20 70 DDIDLO COc1ccc(O)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161333880 408588956 /nfs/dbraw/zinc/58/89/56/408588956.db2.gz PAWJAJDHUKFLNA-GFCCVEGCSA-N 1 2 313.357 1.805 20 70 DDIDLO C[C@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1n1cc[nH+]c1 ZINC000160808204 484070154 /nfs/dbraw/zinc/07/01/54/484070154.db2.gz UETSJLGDTLTYGL-SWLSCSKDSA-N 1 2 324.388 1.888 20 70 DDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000159763752 290762151 /nfs/dbraw/zinc/76/21/51/290762151.db2.gz CKQQSLUJXPNLMS-RBSFLKMASA-N 1 2 314.495 1.945 20 70 DDIDLO C[NH+](C)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1 ZINC000159717340 186137319 /nfs/dbraw/zinc/13/73/19/186137319.db2.gz DZONGNFVVMZWHH-WBVHZDCISA-N 1 2 305.422 1.846 20 70 DDIDLO Cn1cnnc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000160697626 354240047 /nfs/dbraw/zinc/24/00/47/354240047.db2.gz NSHNCEARFIEZQH-UHFFFAOYSA-N 1 2 305.813 1.786 20 70 DDIDLO O=C(Cc1ccccc1F)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000159777621 197363174 /nfs/dbraw/zinc/36/31/74/197363174.db2.gz KTTLFGVTKATYEW-UHFFFAOYSA-N 1 2 316.380 1.409 20 70 DDIDLO O=C(NCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000160087719 408455679 /nfs/dbraw/zinc/45/56/79/408455679.db2.gz GPEYYLMXYRHWRZ-LLVKDONJSA-N 1 2 318.402 1.053 20 70 DDIDLO COc1ccnc(N2CCN(Cc3[nH+]ccn3C(C)C)CC2)n1 ZINC000160832465 408528721 /nfs/dbraw/zinc/52/87/21/408528721.db2.gz KPYJZIJFDFURNH-UHFFFAOYSA-N 1 2 316.409 1.585 20 70 DDIDLO COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)c(SC)cc1OC ZINC000160312243 408470961 /nfs/dbraw/zinc/47/09/61/408470961.db2.gz DVHZDYCYBUIGOQ-NSHDSACASA-N 1 2 310.419 1.875 20 70 DDIDLO COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)c(SC)cc1OC ZINC000160312243 408470968 /nfs/dbraw/zinc/47/09/68/408470968.db2.gz DVHZDYCYBUIGOQ-NSHDSACASA-N 1 2 310.419 1.875 20 70 DDIDLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@H](O)Cc1ccccc1 ZINC000160962197 408545014 /nfs/dbraw/zinc/54/50/14/408545014.db2.gz BPXSYSQWXDLEEE-UKRRQHHQSA-N 1 2 302.378 1.174 20 70 DDIDLO O=C(NCCOc1ccc(F)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161461675 408605855 /nfs/dbraw/zinc/60/58/55/408605855.db2.gz FHVLBVSLTOOYFU-LLVKDONJSA-N 1 2 321.327 1.919 20 70 DDIDLO CS(=O)(=O)CCCC[NH+]1CCN(c2ccccc2O)CC1 ZINC000161090590 539221056 /nfs/dbraw/zinc/22/10/56/539221056.db2.gz GDTNANUXPFQMMC-UHFFFAOYSA-N 1 2 312.435 1.339 20 70 DDIDLO CC(C)C[C@H](CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000159578855 290759642 /nfs/dbraw/zinc/75/96/42/290759642.db2.gz CYEAJLWSZJJVIY-ZMSDIMECSA-N 1 2 324.465 1.855 20 70 DDIDLO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(C)cn3)CC2)n1 ZINC000159942902 408446231 /nfs/dbraw/zinc/44/62/31/408446231.db2.gz QUEVDSOSYGTIPI-ZDUSSCGKSA-N 1 2 301.394 1.960 20 70 DDIDLO CC[C@@H](C)OCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000160626635 408504878 /nfs/dbraw/zinc/50/48/78/408504878.db2.gz BASDFECXLQQNHI-UKRRQHHQSA-N 1 2 316.467 1.126 20 70 DDIDLO CCCNC(=O)C1CC[NH+](Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000160657659 408508315 /nfs/dbraw/zinc/50/83/15/408508315.db2.gz FLGKGFUBTWSTFN-UHFFFAOYSA-N 1 2 306.410 1.483 20 70 DDIDLO O=C(NC[C@@H](O)c1cccc(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160747830 408520087 /nfs/dbraw/zinc/52/00/87/408520087.db2.gz BTFUJHQODABNAB-GXTWGEPZSA-N 1 2 303.337 1.434 20 70 DDIDLO CC(C)CCn1ccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000160742759 408521013 /nfs/dbraw/zinc/52/10/13/408521013.db2.gz UEGQJIAHCFUNSJ-CQSZACIVSA-N 1 2 323.441 1.771 20 70 DDIDLO Cc1ccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161176224 408568513 /nfs/dbraw/zinc/56/85/13/408568513.db2.gz XIWAMXISPHJYGI-UHFFFAOYSA-N 1 2 307.375 1.282 20 70 DDIDLO Cc1ccc(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161337896 408589761 /nfs/dbraw/zinc/58/97/61/408589761.db2.gz VIFZFMGLELAQRJ-OAHLLOKOSA-N 1 2 309.369 1.968 20 70 DDIDLO COCCOc1ncccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161337172 408590550 /nfs/dbraw/zinc/59/05/50/408590550.db2.gz PQAQVPCRFUJYTD-GFCCVEGCSA-N 1 2 316.361 1.504 20 70 DDIDLO C[N@H+](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)Cc1ccccc1 ZINC000161351639 408593003 /nfs/dbraw/zinc/59/30/03/408593003.db2.gz FMQAEUDSLUADNM-KRWDZBQOSA-N 1 2 324.428 1.909 20 70 DDIDLO C[N@@H+](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)Cc1ccccc1 ZINC000161351639 408593009 /nfs/dbraw/zinc/59/30/09/408593009.db2.gz FMQAEUDSLUADNM-KRWDZBQOSA-N 1 2 324.428 1.909 20 70 DDIDLO Cc1[nH+]c2ccccn2c1CN1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000160509412 527177652 /nfs/dbraw/zinc/17/76/52/527177652.db2.gz VOPKETJVTZCWBA-QWHCGFSZSA-N 1 2 307.419 1.650 20 70 DDIDLO CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)C[C@H]1C)[NH+]1CCOCC1 ZINC000159565275 290759724 /nfs/dbraw/zinc/75/97/24/290759724.db2.gz ASXADNWNFQSOKY-KBMXLJTQSA-N 1 2 310.438 1.465 20 70 DDIDLO COC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160230468 197393839 /nfs/dbraw/zinc/39/38/39/197393839.db2.gz NBJNGLFERNVUJV-MFKMUULPSA-N 1 2 309.341 1.583 20 70 DDIDLO COC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160230468 197393840 /nfs/dbraw/zinc/39/38/40/197393840.db2.gz NBJNGLFERNVUJV-MFKMUULPSA-N 1 2 309.341 1.583 20 70 DDIDLO O=C(CSCC[NH+]1CCOCC1)NOCc1ccccc1 ZINC000159760007 197361431 /nfs/dbraw/zinc/36/14/31/197361431.db2.gz BLTQUDFNAKDDAI-UHFFFAOYSA-N 1 2 310.419 1.300 20 70 DDIDLO CC(C)c1nc(N(C)C)nc(NCCCOC[C@H]2CCOC2)[nH+]1 ZINC000159959755 408445891 /nfs/dbraw/zinc/44/58/91/408445891.db2.gz ACQBISYFGTYCHW-CYBMUJFWSA-N 1 2 323.441 1.916 20 70 DDIDLO CC(C)c1nc(NCCCOC[C@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000159959755 408445897 /nfs/dbraw/zinc/44/58/97/408445897.db2.gz ACQBISYFGTYCHW-CYBMUJFWSA-N 1 2 323.441 1.916 20 70 DDIDLO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000159481806 408409938 /nfs/dbraw/zinc/40/99/38/408409938.db2.gz ZSHXIXAHTKNIQE-CJNGLKHVSA-N 1 2 305.397 1.735 20 70 DDIDLO C[C@H](c1cccc(F)c1)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000159481806 408409944 /nfs/dbraw/zinc/40/99/44/408409944.db2.gz ZSHXIXAHTKNIQE-CJNGLKHVSA-N 1 2 305.397 1.735 20 70 DDIDLO Cn1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160574982 408500995 /nfs/dbraw/zinc/50/09/95/408500995.db2.gz BSZFVXJCPCMARF-UHFFFAOYSA-N 1 2 313.405 1.448 20 70 DDIDLO Cn1ccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000160753634 408519564 /nfs/dbraw/zinc/51/95/64/408519564.db2.gz VGQLHXPCVHGOOL-GFCCVEGCSA-N 1 2 300.366 1.606 20 70 DDIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCOC1 ZINC000160388407 408477784 /nfs/dbraw/zinc/47/77/84/408477784.db2.gz UWBRVJYDAQXNKS-HUUCEWRRSA-N 1 2 318.421 1.334 20 70 DDIDLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@H](C)CO)cn2c1 ZINC000160408215 408477992 /nfs/dbraw/zinc/47/79/92/408477992.db2.gz JKHRIEVXTNSRLI-LBPRGKRZSA-N 1 2 307.419 1.621 20 70 DDIDLO [NH3+][C@@H]1CCC[C@H](NC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000161378488 484074695 /nfs/dbraw/zinc/07/46/95/484074695.db2.gz VEHXLCOCJZOLHQ-NEPJUHHUSA-N 1 2 300.362 1.578 20 70 DDIDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3OCC[C@H]3C)CC2)cs1 ZINC000160452575 526854438 /nfs/dbraw/zinc/85/44/38/526854438.db2.gz FTTICZCHGVCWIP-DOMZBBRYSA-N 1 2 323.462 1.911 20 70 DDIDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3OCC[C@H]3C)CC2)cs1 ZINC000160452575 526854442 /nfs/dbraw/zinc/85/44/42/526854442.db2.gz FTTICZCHGVCWIP-DOMZBBRYSA-N 1 2 323.462 1.911 20 70 DDIDLO Cc1cc(C(=O)NCC[NH+]2CCOCC2)c(Cl)cc1F ZINC000161229620 290782564 /nfs/dbraw/zinc/78/25/64/290782564.db2.gz JEOWOUJOERIQAV-UHFFFAOYSA-N 1 2 300.761 1.850 20 70 DDIDLO Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)s1 ZINC000160237828 197395174 /nfs/dbraw/zinc/39/51/74/197395174.db2.gz RLPYSYOSULNLEC-RISCZKNCSA-N 1 2 309.435 1.521 20 70 DDIDLO CCc1nc([C@H](C)NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000160183058 197391249 /nfs/dbraw/zinc/39/12/49/197391249.db2.gz DNAXOYMHNYHWRG-WCFLWFBJSA-N 1 2 324.450 1.491 20 70 DDIDLO CCc1nc([C@H](C)NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000160183058 197391251 /nfs/dbraw/zinc/39/12/51/197391251.db2.gz DNAXOYMHNYHWRG-WCFLWFBJSA-N 1 2 324.450 1.491 20 70 DDIDLO C[C@H](O)C[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159454887 197355185 /nfs/dbraw/zinc/35/51/85/197355185.db2.gz JAFVRPTWBHHRLY-CPCISQLKSA-N 1 2 319.174 1.427 20 70 DDIDLO C[C@H](O)C[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159454887 197355186 /nfs/dbraw/zinc/35/51/86/197355186.db2.gz JAFVRPTWBHHRLY-CPCISQLKSA-N 1 2 319.174 1.427 20 70 DDIDLO COc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000159550966 408415800 /nfs/dbraw/zinc/41/58/00/408415800.db2.gz PYHOEZRRVBUWFB-LBPRGKRZSA-N 1 2 303.337 1.910 20 70 DDIDLO C[C@H]1CCC[C@H](C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)C1 ZINC000160271281 408467955 /nfs/dbraw/zinc/46/79/55/408467955.db2.gz UCWNNNRXFYAKCK-GJZGRUSLSA-N 1 2 309.454 1.435 20 70 DDIDLO C[C@H]1CCC[C@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)C1 ZINC000160271281 408467957 /nfs/dbraw/zinc/46/79/57/408467957.db2.gz UCWNNNRXFYAKCK-GJZGRUSLSA-N 1 2 309.454 1.435 20 70 DDIDLO COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000160333427 408471398 /nfs/dbraw/zinc/47/13/98/408471398.db2.gz RJQPDVOSPLSMQQ-NSHDSACASA-N 1 2 300.305 1.746 20 70 DDIDLO COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000160333427 408471399 /nfs/dbraw/zinc/47/13/99/408471399.db2.gz RJQPDVOSPLSMQQ-NSHDSACASA-N 1 2 300.305 1.746 20 70 DDIDLO CCCNC(=O)[C@@H]1CN(Cc2[nH+]ccn2C)c2ccccc2O1 ZINC000160900277 408537975 /nfs/dbraw/zinc/53/79/75/408537975.db2.gz FTMVIZCLDBGBEF-HNNXBMFYSA-N 1 2 314.389 1.714 20 70 DDIDLO [NH3+][C@H]1CCC[C@@H](NC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000161378162 484074567 /nfs/dbraw/zinc/07/45/67/484074567.db2.gz VEHXLCOCJZOLHQ-NWDGAFQWSA-N 1 2 300.362 1.578 20 70 DDIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000160319983 290770392 /nfs/dbraw/zinc/77/03/92/290770392.db2.gz BXUPVRHAVXOFNY-LBPRGKRZSA-N 1 2 300.399 1.881 20 70 DDIDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CCCn3cccc3)CC2)S1 ZINC000159695360 186135776 /nfs/dbraw/zinc/13/57/76/186135776.db2.gz QIELFENQAFVGBA-AWEZNQCLSA-N 1 2 320.462 1.904 20 70 DDIDLO O=C(CSCC[NH+]1CCOCC1)NCc1ccccc1F ZINC000159757824 186139635 /nfs/dbraw/zinc/13/96/35/186139635.db2.gz ONDSUHCDGFYQBI-UHFFFAOYSA-N 1 2 312.410 1.507 20 70 DDIDLO CC(C)n1nccc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160093228 197385652 /nfs/dbraw/zinc/38/56/52/197385652.db2.gz GKJGMQNCSCZMTG-UHFFFAOYSA-N 1 2 313.405 1.817 20 70 DDIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC[C@](C)(O)C1 ZINC000159935410 197374959 /nfs/dbraw/zinc/37/49/59/197374959.db2.gz UKGXQSGKUAYJGH-KRWDZBQOSA-N 1 2 316.405 1.901 20 70 DDIDLO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)[nH]1 ZINC000159375924 197348342 /nfs/dbraw/zinc/34/83/42/197348342.db2.gz ZOXGPLUJPLQJGQ-GFCCVEGCSA-N 1 2 303.414 1.919 20 70 DDIDLO CCc1nnc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)[nH]1 ZINC000159375924 197348343 /nfs/dbraw/zinc/34/83/43/197348343.db2.gz ZOXGPLUJPLQJGQ-GFCCVEGCSA-N 1 2 303.414 1.919 20 70 DDIDLO O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160066668 408454183 /nfs/dbraw/zinc/45/41/83/408454183.db2.gz XTOAJCLWPAKNOK-SNVBAGLBSA-N 1 2 309.333 1.264 20 70 DDIDLO COC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000159383338 408405926 /nfs/dbraw/zinc/40/59/26/408405926.db2.gz ZZEYHUFQYGJFDW-JTQLQIEISA-N 1 2 311.769 1.559 20 70 DDIDLO COC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000159383338 408405934 /nfs/dbraw/zinc/40/59/34/408405934.db2.gz ZZEYHUFQYGJFDW-JTQLQIEISA-N 1 2 311.769 1.559 20 70 DDIDLO CC(C)Oc1cncc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000159716327 408427133 /nfs/dbraw/zinc/42/71/33/408427133.db2.gz JOIXCWNIYPGWSM-LSDHHAIUSA-N 1 2 305.378 1.024 20 70 DDIDLO CC(C)Oc1cncc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000159716327 408427141 /nfs/dbraw/zinc/42/71/41/408427141.db2.gz JOIXCWNIYPGWSM-LSDHHAIUSA-N 1 2 305.378 1.024 20 70 DDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NCC(F)(F)F ZINC000159767324 408433392 /nfs/dbraw/zinc/43/33/92/408433392.db2.gz DGCHMFDCUCSURY-VIFPVBQESA-N 1 2 300.346 1.119 20 70 DDIDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H](C)CO)cn2c1 ZINC000160570470 408497887 /nfs/dbraw/zinc/49/78/87/408497887.db2.gz ANJJVLPSOBLYRG-LBPRGKRZSA-N 1 2 307.419 1.715 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOC2(CCCC2)C1 ZINC000160593818 408500000 /nfs/dbraw/zinc/50/00/00/408500000.db2.gz PYUCTCCUHKCEPP-CQSZACIVSA-N 1 2 311.426 1.062 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160596206 408502998 /nfs/dbraw/zinc/50/29/98/408502998.db2.gz AQMQMBAXEUNYSM-UXIGCNINSA-N 1 2 324.371 1.905 20 70 DDIDLO CCOC(=O)C[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000160726423 408516837 /nfs/dbraw/zinc/51/68/37/408516837.db2.gz REAOYUXDSXBGNT-LLVKDONJSA-N 1 2 310.419 1.564 20 70 DDIDLO CCOC(=O)C[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000160726423 408516842 /nfs/dbraw/zinc/51/68/42/408516842.db2.gz REAOYUXDSXBGNT-LLVKDONJSA-N 1 2 310.419 1.564 20 70 DDIDLO Cc1cnccc1CCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000160849911 408529337 /nfs/dbraw/zinc/52/93/37/408529337.db2.gz MOFTVHWGLTZBGU-HUUCEWRRSA-N 1 2 320.437 1.341 20 70 DDIDLO O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160846917 408529837 /nfs/dbraw/zinc/52/98/37/408529837.db2.gz PBOSMQNZDXVZSD-CQSZACIVSA-N 1 2 321.384 1.948 20 70 DDIDLO C[C@@H]1CCC[C@@H](C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)C1 ZINC000160271370 408467353 /nfs/dbraw/zinc/46/73/53/408467353.db2.gz UCWNNNRXFYAKCK-HUUCEWRRSA-N 1 2 309.454 1.435 20 70 DDIDLO C[C@@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)C1 ZINC000160271370 408467359 /nfs/dbraw/zinc/46/73/59/408467359.db2.gz UCWNNNRXFYAKCK-HUUCEWRRSA-N 1 2 309.454 1.435 20 70 DDIDLO CCn1nccc1/C=C/C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161324033 408587345 /nfs/dbraw/zinc/58/73/45/408587345.db2.gz XIPHENHKHRBYIH-PSKZRQQASA-N 1 2 311.389 1.706 20 70 DDIDLO C[C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000160937091 408542891 /nfs/dbraw/zinc/54/28/91/408542891.db2.gz FJYJXPMQTJQVLV-HNNXBMFYSA-N 1 2 317.433 1.789 20 70 DDIDLO COc1ccccc1NCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160389884 524636670 /nfs/dbraw/zinc/63/66/70/524636670.db2.gz LPUYVAMJUHCIKQ-CQSZACIVSA-N 1 2 319.405 1.087 20 70 DDIDLO COc1ccccc1NCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160389884 524636678 /nfs/dbraw/zinc/63/66/78/524636678.db2.gz LPUYVAMJUHCIKQ-CQSZACIVSA-N 1 2 319.405 1.087 20 70 DDIDLO C[C@@H](Cc1ccccc1F)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160424797 162148470 /nfs/dbraw/zinc/14/84/70/162148470.db2.gz KCEAGOALPHWHDH-BBRMVZONSA-N 1 2 320.408 1.984 20 70 DDIDLO C[C@@H](Cc1ccccc1F)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160424797 162148473 /nfs/dbraw/zinc/14/84/73/162148473.db2.gz KCEAGOALPHWHDH-BBRMVZONSA-N 1 2 320.408 1.984 20 70 DDIDLO COC(=O)C1([N@H+](C)CC(=O)N(C)CC(F)(F)F)CCCC1 ZINC000159481411 408410309 /nfs/dbraw/zinc/41/03/09/408410309.db2.gz ZAGVECQTCGDBRJ-UHFFFAOYSA-N 1 2 310.316 1.425 20 70 DDIDLO COC(=O)C1([N@@H+](C)CC(=O)N(C)CC(F)(F)F)CCCC1 ZINC000159481411 408410313 /nfs/dbraw/zinc/41/03/13/408410313.db2.gz ZAGVECQTCGDBRJ-UHFFFAOYSA-N 1 2 310.316 1.425 20 70 DDIDLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000159702571 408427408 /nfs/dbraw/zinc/42/74/08/408427408.db2.gz YYSUCGOGYYFCNL-OAHLLOKOSA-N 1 2 307.442 1.293 20 70 DDIDLO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000159702571 408427413 /nfs/dbraw/zinc/42/74/13/408427413.db2.gz YYSUCGOGYYFCNL-OAHLLOKOSA-N 1 2 307.442 1.293 20 70 DDIDLO Cc1cccc2nc(CNC(=O)[C@@H](C)N3CC[NH+](C)CC3)[nH]c21 ZINC000160494669 408489413 /nfs/dbraw/zinc/48/94/13/408489413.db2.gz FKCFHHCGZAYRJX-CYBMUJFWSA-N 1 2 315.421 1.123 20 70 DDIDLO Cn1cnc2cc(C(=O)NCc3cn4ccccc4[nH+]3)cnc21 ZINC000160015131 527499224 /nfs/dbraw/zinc/49/92/24/527499224.db2.gz UGYSTXHEAVFUNX-UHFFFAOYSA-N 1 2 306.329 1.546 20 70 DDIDLO CN(Cc1cccs1)C(=O)CSCC[NH+]1CCOCC1 ZINC000159838402 197368006 /nfs/dbraw/zinc/36/80/06/197368006.db2.gz SIRADHXKLWMVBX-UHFFFAOYSA-N 1 2 314.476 1.772 20 70 DDIDLO Cc1cccc2[nH]c(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)nc21 ZINC000160447108 408485040 /nfs/dbraw/zinc/48/50/40/408485040.db2.gz NDGBDYCOTAPDPM-GFCCVEGCSA-N 1 2 309.373 1.947 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1c(F)cc(F)cc1F ZINC000160593090 408501193 /nfs/dbraw/zinc/50/11/93/408501193.db2.gz NDLDTFVOMUXIIG-SECBINFHSA-N 1 2 302.296 1.554 20 70 DDIDLO COCC[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccco1 ZINC000160791505 408523729 /nfs/dbraw/zinc/52/37/29/408523729.db2.gz YMEPUNIPGUSNQU-UHFFFAOYSA-N 1 2 303.424 1.941 20 70 DDIDLO COCC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1ccco1 ZINC000160791505 408523733 /nfs/dbraw/zinc/52/37/33/408523733.db2.gz YMEPUNIPGUSNQU-UHFFFAOYSA-N 1 2 303.424 1.941 20 70 DDIDLO COCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)o1 ZINC000160965002 408545930 /nfs/dbraw/zinc/54/59/30/408545930.db2.gz JTMMVLVXDODNCL-HNNXBMFYSA-N 1 2 308.378 1.249 20 70 DDIDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000161043468 408554673 /nfs/dbraw/zinc/55/46/73/408554673.db2.gz XITAVYCLSVVMGB-GVDBMIGSSA-N 1 2 315.417 1.346 20 70 DDIDLO CC[C@@H](O)CCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000160895789 408537202 /nfs/dbraw/zinc/53/72/02/408537202.db2.gz ZTYQEEGGNBARRV-GFCCVEGCSA-N 1 2 310.785 1.948 20 70 DDIDLO Cc1ccc(-c2[nH]nc(NC(=O)[C@@H]3C[N@H+](C)CCO3)c2C)o1 ZINC000161484481 408607281 /nfs/dbraw/zinc/60/72/81/408607281.db2.gz KRVAYQOXEMJGLM-LBPRGKRZSA-N 1 2 304.350 1.556 20 70 DDIDLO CN(C)C(=O)CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161356933 523971787 /nfs/dbraw/zinc/97/17/87/523971787.db2.gz TXACOEGQSSOLHB-UHFFFAOYSA-N 1 2 323.824 1.463 20 70 DDIDLO C[C@H](CS(C)(=O)=O)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000160402995 524604245 /nfs/dbraw/zinc/60/42/45/524604245.db2.gz OKLIMAFXTVTCTH-GFCCVEGCSA-N 1 2 307.419 1.732 20 70 DDIDLO CCCc1cc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)n[nH]1 ZINC000160289832 539219800 /nfs/dbraw/zinc/21/98/00/539219800.db2.gz NDXPFXSHWSIVPB-UHFFFAOYSA-N 1 2 322.453 1.793 20 70 DDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4ccco4)on3)C[C@@H]21 ZINC000159694832 283009817 /nfs/dbraw/zinc/00/98/17/283009817.db2.gz CFKWAUNHDULNLG-SMDDNHRTSA-N 1 2 303.318 1.090 20 70 DDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4ccco4)on3)C[C@@H]21 ZINC000159694832 283009818 /nfs/dbraw/zinc/00/98/18/283009818.db2.gz CFKWAUNHDULNLG-SMDDNHRTSA-N 1 2 303.318 1.090 20 70 DDIDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1cnn(C)c1 ZINC000161055650 248314477 /nfs/dbraw/zinc/31/44/77/248314477.db2.gz WUEGDOLTRLNXRP-AWEZNQCLSA-N 1 2 312.417 1.825 20 70 DDIDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1cnn(C)c1 ZINC000161055650 248314481 /nfs/dbraw/zinc/31/44/81/248314481.db2.gz WUEGDOLTRLNXRP-AWEZNQCLSA-N 1 2 312.417 1.825 20 70 DDIDLO CCC[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000159604038 408418718 /nfs/dbraw/zinc/41/87/18/408418718.db2.gz LJMWZMSADMSQDP-HNNXBMFYSA-N 1 2 320.437 1.972 20 70 DDIDLO CCc1nn(C)c(CC)c1C[N@@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000160589198 408499147 /nfs/dbraw/zinc/49/91/47/408499147.db2.gz ZTNWALWRNNIUIC-GFCCVEGCSA-N 1 2 313.467 1.554 20 70 DDIDLO CCc1nn(C)c(CC)c1C[N@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000160589198 408499151 /nfs/dbraw/zinc/49/91/51/408499151.db2.gz ZTNWALWRNNIUIC-GFCCVEGCSA-N 1 2 313.467 1.554 20 70 DDIDLO COc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000160737881 408517823 /nfs/dbraw/zinc/51/78/23/408517823.db2.gz OHAJPVJUFKMXQQ-ZDUSSCGKSA-N 1 2 313.361 1.886 20 70 DDIDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000160367510 408475994 /nfs/dbraw/zinc/47/59/94/408475994.db2.gz DDQVYPRAGOTMIF-JTQLQIEISA-N 1 2 320.315 1.119 20 70 DDIDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@H]1C(N)=O ZINC000160367510 408475999 /nfs/dbraw/zinc/47/59/99/408475999.db2.gz DDQVYPRAGOTMIF-JTQLQIEISA-N 1 2 320.315 1.119 20 70 DDIDLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161106592 408561514 /nfs/dbraw/zinc/56/15/14/408561514.db2.gz PKHNPKODYNLTGV-UONOGXRCSA-N 1 2 318.421 1.209 20 70 DDIDLO CN1CC[C@H]([NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000161276160 408581786 /nfs/dbraw/zinc/58/17/86/408581786.db2.gz PFILHDUKHAVJAV-JKSUJKDBSA-N 1 2 315.417 1.561 20 70 DDIDLO Cc1ccc(-c2[nH]nc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2C)o1 ZINC000161484603 408607829 /nfs/dbraw/zinc/60/78/29/408607829.db2.gz KRVAYQOXEMJGLM-GFCCVEGCSA-N 1 2 304.350 1.556 20 70 DDIDLO Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001164631199 719256500 /nfs/dbraw/zinc/25/65/00/719256500.db2.gz CFDCAUJDJJRXAN-MNOVXSKESA-N 1 2 301.387 1.577 20 70 DDIDLO Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001164631199 719256505 /nfs/dbraw/zinc/25/65/05/719256505.db2.gz CFDCAUJDJJRXAN-MNOVXSKESA-N 1 2 301.387 1.577 20 70 DDIDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3OCC[C@H]3C)CC2)cs1 ZINC000160452693 162149962 /nfs/dbraw/zinc/14/99/62/162149962.db2.gz FTTICZCHGVCWIP-IUODEOHRSA-N 1 2 323.462 1.911 20 70 DDIDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3OCC[C@H]3C)CC2)cs1 ZINC000160452693 162149966 /nfs/dbraw/zinc/14/99/66/162149966.db2.gz FTTICZCHGVCWIP-IUODEOHRSA-N 1 2 323.462 1.911 20 70 DDIDLO CC[N@H+](Cc1cn(C)nc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159878348 408440679 /nfs/dbraw/zinc/44/06/79/408440679.db2.gz VFAHWRMYANVQGH-UHFFFAOYSA-N 1 2 311.389 1.987 20 70 DDIDLO CC[N@@H+](Cc1cn(C)nc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159878348 408440686 /nfs/dbraw/zinc/44/06/86/408440686.db2.gz VFAHWRMYANVQGH-UHFFFAOYSA-N 1 2 311.389 1.987 20 70 DDIDLO CSc1cc(C(=O)N(C)CC[NH+]2CCOCC2)ccc1F ZINC000160515109 408491212 /nfs/dbraw/zinc/49/12/12/408491212.db2.gz KUAVHUVGUWWZGU-UHFFFAOYSA-N 1 2 312.410 1.952 20 70 DDIDLO CCOc1c(C[N@@H+]2CCC[C@H]2C(N)=O)c(C)nn1CC(C)C ZINC000160308991 408467836 /nfs/dbraw/zinc/46/78/36/408467836.db2.gz KIQIHNCDZHFLKL-AWEZNQCLSA-N 1 2 308.426 1.696 20 70 DDIDLO CCOc1c(C[N@H+]2CCC[C@H]2C(N)=O)c(C)nn1CC(C)C ZINC000160308991 408467839 /nfs/dbraw/zinc/46/78/39/408467839.db2.gz KIQIHNCDZHFLKL-AWEZNQCLSA-N 1 2 308.426 1.696 20 70 DDIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000160982755 408548357 /nfs/dbraw/zinc/54/83/57/408548357.db2.gz UUTZIMBFEQMEGU-HNNXBMFYSA-N 1 2 318.373 1.239 20 70 DDIDLO CCC[N@H+](Cc1cc(C(N)=O)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000161113085 408561641 /nfs/dbraw/zinc/56/16/41/408561641.db2.gz YRNLHBLVCQGIET-LLVKDONJSA-N 1 2 316.448 1.246 20 70 DDIDLO CCC[N@@H+](Cc1cc(C(N)=O)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000161113085 408561643 /nfs/dbraw/zinc/56/16/43/408561643.db2.gz YRNLHBLVCQGIET-LLVKDONJSA-N 1 2 316.448 1.246 20 70 DDIDLO O=C(NCCN1C(=O)Cc2ccccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161127641 408564820 /nfs/dbraw/zinc/56/48/20/408564820.db2.gz PHDQPSYZFNYHEK-CQSZACIVSA-N 1 2 324.384 1.151 20 70 DDIDLO C[C@@]1(O)CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000160121646 197387464 /nfs/dbraw/zinc/38/74/64/197387464.db2.gz FMCYFMDMERAYDM-QGZVFWFLSA-N 1 2 318.421 1.738 20 70 DDIDLO O=C(NCC(F)(F)F)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160044269 408453199 /nfs/dbraw/zinc/45/31/99/408453199.db2.gz DQTIZWRTIKWQHZ-JTQLQIEISA-N 1 2 302.300 1.912 20 70 DDIDLO COC(=O)CCCc1nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)no1 ZINC000159498610 408413262 /nfs/dbraw/zinc/41/32/62/408413262.db2.gz XDFYSGTXRSCXNF-RYUDHWBXSA-N 1 2 311.382 1.158 20 70 DDIDLO COC(=O)CCCc1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)no1 ZINC000159498610 408413268 /nfs/dbraw/zinc/41/32/68/408413268.db2.gz XDFYSGTXRSCXNF-RYUDHWBXSA-N 1 2 311.382 1.158 20 70 DDIDLO CCCCn1ncc(NC(=O)N2CC[NH+](CCO)CC2)c1C ZINC000159850363 408438130 /nfs/dbraw/zinc/43/81/30/408438130.db2.gz NRUJWQOVIWKJHH-UHFFFAOYSA-N 1 2 309.414 1.133 20 70 DDIDLO Cn1c(=O)oc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc21 ZINC000161147041 408564548 /nfs/dbraw/zinc/56/45/48/408564548.db2.gz SRDGZVMLYIDUDC-JTQLQIEISA-N 1 2 312.329 1.529 20 70 DDIDLO Cc1c(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cnn1CCC(C)C ZINC000161356567 408593292 /nfs/dbraw/zinc/59/32/92/408593292.db2.gz FQFWQVBDXOBJER-AWEZNQCLSA-N 1 2 323.441 1.690 20 70 DDIDLO FC(F)(F)c1ccnc(N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000160416039 294690358 /nfs/dbraw/zinc/69/03/58/294690358.db2.gz WGIJSNBOVNTGEY-LLVKDONJSA-N 1 2 316.327 1.796 20 70 DDIDLO COC(C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1)OC ZINC000160872091 197446134 /nfs/dbraw/zinc/44/61/34/197446134.db2.gz BSWPFADCYVWWEH-UHFFFAOYSA-N 1 2 314.332 1.342 20 70 DDIDLO O=C([C@@H]1CCCCO1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000160036236 197380825 /nfs/dbraw/zinc/38/08/25/197380825.db2.gz XXEWZMMMQOLMMT-KRWDZBQOSA-N 1 2 318.417 1.779 20 70 DDIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)CC(OC)OC ZINC000160456266 408484682 /nfs/dbraw/zinc/48/46/82/408484682.db2.gz AZJVSSNTVYDXAT-UHFFFAOYSA-N 1 2 302.321 1.844 20 70 DDIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)CC(OC)OC ZINC000160456266 408484689 /nfs/dbraw/zinc/48/46/89/408484689.db2.gz AZJVSSNTVYDXAT-UHFFFAOYSA-N 1 2 302.321 1.844 20 70 DDIDLO COc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1OC(F)F ZINC000160341567 408473564 /nfs/dbraw/zinc/47/35/64/408473564.db2.gz PLJVCVYLVWYJSU-SNVBAGLBSA-N 1 2 300.305 1.746 20 70 DDIDLO COc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1OC(F)F ZINC000160341567 408473570 /nfs/dbraw/zinc/47/35/70/408473570.db2.gz PLJVCVYLVWYJSU-SNVBAGLBSA-N 1 2 300.305 1.746 20 70 DDIDLO Cc1conc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000161302077 408585064 /nfs/dbraw/zinc/58/50/64/408585064.db2.gz KLWQHBWUVNDGLJ-UHFFFAOYSA-N 1 2 317.349 1.325 20 70 DDIDLO CC(C)CCn1ccc(NC(=O)N(C)CC[NH+]2CCOCC2)n1 ZINC000161313874 408586772 /nfs/dbraw/zinc/58/67/72/408586772.db2.gz IQGQXCJBZBBDLL-UHFFFAOYSA-N 1 2 323.441 1.725 20 70 DDIDLO Cc1ccc(C(=O)CC[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000161308612 408587189 /nfs/dbraw/zinc/58/71/89/408587189.db2.gz CZCIJMNXQPFNBP-AWEZNQCLSA-N 1 2 304.390 1.093 20 70 DDIDLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)[C@@H](O)Cc1ccccc1 ZINC000160955903 408541311 /nfs/dbraw/zinc/54/13/11/408541311.db2.gz ALBMESAVNNNHPY-ZBFHGGJFSA-N 1 2 316.405 1.565 20 70 DDIDLO CCN(Cc1c[nH+]c2ccccn12)[C@@H](C)CS(=O)(=O)CC ZINC000160396625 521435852 /nfs/dbraw/zinc/43/58/52/521435852.db2.gz XCXZUIUSECVSON-ZDUSSCGKSA-N 1 2 309.435 1.979 20 70 DDIDLO COC1CC[NH+](CCNC(=O)c2cccc3nc[nH]c32)CC1 ZINC000159828365 539219344 /nfs/dbraw/zinc/21/93/44/539219344.db2.gz OJIOOEHISVNGKU-UHFFFAOYSA-N 1 2 302.378 1.404 20 70 DDIDLO COc1ccc(-c2noc(=O)n2CCn2cc[nH+]c2)cc1OC ZINC000160121825 290767121 /nfs/dbraw/zinc/76/71/21/290767121.db2.gz BSIVAHSUJRPVGO-UHFFFAOYSA-N 1 2 316.317 1.417 20 70 DDIDLO Cc1nnc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160112625 197386146 /nfs/dbraw/zinc/38/61/46/197386146.db2.gz MDFHGGAVZYNFRN-JTQLQIEISA-N 1 2 304.379 1.642 20 70 DDIDLO Cc1cccc(CNC(=O)CSCC[NH+]2CCOCC2)c1 ZINC000159883918 197370601 /nfs/dbraw/zinc/37/06/01/197370601.db2.gz WIIQHFVLAXLPJB-UHFFFAOYSA-N 1 2 308.447 1.677 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000159808834 197366766 /nfs/dbraw/zinc/36/67/66/197366766.db2.gz IULRVYPOOYEOCR-HNNXBMFYSA-N 1 2 313.357 1.098 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000159808834 197366768 /nfs/dbraw/zinc/36/67/68/197366768.db2.gz IULRVYPOOYEOCR-HNNXBMFYSA-N 1 2 313.357 1.098 20 70 DDIDLO CCOC(=O)CCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159421671 197352772 /nfs/dbraw/zinc/35/27/72/197352772.db2.gz NQFKMUKUOJKQQS-KBPBESRZSA-N 1 2 311.378 1.747 20 70 DDIDLO CCOC(=O)CCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159421671 197352774 /nfs/dbraw/zinc/35/27/74/197352774.db2.gz NQFKMUKUOJKQQS-KBPBESRZSA-N 1 2 311.378 1.747 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000159374707 408401642 /nfs/dbraw/zinc/40/16/42/408401642.db2.gz HRRDVWNSYSBVDM-UHFFFAOYSA-N 1 2 305.378 1.604 20 70 DDIDLO O=C(NCc1cccnc1-n1cccn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159718198 408427815 /nfs/dbraw/zinc/42/78/15/408427815.db2.gz PRUBBLVTLHYSGH-CYBMUJFWSA-N 1 2 322.372 1.343 20 70 DDIDLO COc1ccc([C@@H](CCO)NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000160544199 408495126 /nfs/dbraw/zinc/49/51/26/408495126.db2.gz NJWFFHBWWASKSL-OAHLLOKOSA-N 1 2 318.377 1.315 20 70 DDIDLO CCC(CC)[C@H](C(=O)N[C@H](CO)CC(C)C)[NH+]1CCOCC1 ZINC000160676936 408512927 /nfs/dbraw/zinc/51/29/27/408512927.db2.gz XWELXTNGDFSBIO-JKSUJKDBSA-N 1 2 314.470 1.647 20 70 DDIDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160729699 408517004 /nfs/dbraw/zinc/51/70/04/408517004.db2.gz RBSPNEPJHJGWME-AWEZNQCLSA-N 1 2 313.405 1.535 20 70 DDIDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160729699 408517007 /nfs/dbraw/zinc/51/70/07/408517007.db2.gz RBSPNEPJHJGWME-AWEZNQCLSA-N 1 2 313.405 1.535 20 70 DDIDLO CC[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(F)cc1 ZINC000161315381 408587063 /nfs/dbraw/zinc/58/70/63/408587063.db2.gz JEDKQKIHLXTZTH-CVEARBPZSA-N 1 2 305.397 1.435 20 70 DDIDLO COCCOc1cccc(CC(=O)NCCCn2cc[nH+]c2)c1 ZINC000160939643 408541550 /nfs/dbraw/zinc/54/15/50/408541550.db2.gz MNLUUPBKYZAVHH-UHFFFAOYSA-N 1 2 317.389 1.657 20 70 DDIDLO CCc1nnc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)[nH]1 ZINC000160305200 197398893 /nfs/dbraw/zinc/39/88/93/197398893.db2.gz JEWWFUSLGXPQFD-CQSZACIVSA-N 1 2 313.405 1.820 20 70 DDIDLO C[C@@H](Cc1ccccc1F)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160424534 162148603 /nfs/dbraw/zinc/14/86/03/162148603.db2.gz KCEAGOALPHWHDH-XJKSGUPXSA-N 1 2 320.408 1.984 20 70 DDIDLO C[C@@H](Cc1ccccc1F)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160424534 162148607 /nfs/dbraw/zinc/14/86/07/162148607.db2.gz KCEAGOALPHWHDH-XJKSGUPXSA-N 1 2 320.408 1.984 20 70 DDIDLO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000159574600 408416843 /nfs/dbraw/zinc/41/68/43/408416843.db2.gz NGMGUBBKGXJTBD-NSHDSACASA-N 1 2 323.359 1.340 20 70 DDIDLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000159574600 408416845 /nfs/dbraw/zinc/41/68/45/408416845.db2.gz NGMGUBBKGXJTBD-NSHDSACASA-N 1 2 323.359 1.340 20 70 DDIDLO CC1(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC1 ZINC000159900350 408443747 /nfs/dbraw/zinc/44/37/47/408443747.db2.gz GBKYPSBUYOKQJQ-HNNXBMFYSA-N 1 2 313.467 1.436 20 70 DDIDLO CCC(CC)[C@H](C(=O)N[C@@H](CO)CC(C)C)[NH+]1CCOCC1 ZINC000160677152 290775324 /nfs/dbraw/zinc/77/53/24/290775324.db2.gz XWELXTNGDFSBIO-HZPDHXFCSA-N 1 2 314.470 1.647 20 70 DDIDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000160112886 197387355 /nfs/dbraw/zinc/38/73/55/197387355.db2.gz OHBJKODYJKLBID-CQSZACIVSA-N 1 2 317.433 1.812 20 70 DDIDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000160112886 197387357 /nfs/dbraw/zinc/38/73/57/197387357.db2.gz OHBJKODYJKLBID-CQSZACIVSA-N 1 2 317.433 1.812 20 70 DDIDLO CC[N@H+](Cc1cnc2nc(C)cc(C)n12)[C@H]1CCS(=O)(=O)C1 ZINC000160560509 408498336 /nfs/dbraw/zinc/49/83/36/408498336.db2.gz RIXKTJREYNMCRX-ZDUSSCGKSA-N 1 2 322.434 1.355 20 70 DDIDLO CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)[C@H]1CCS(=O)(=O)C1 ZINC000160560509 408498342 /nfs/dbraw/zinc/49/83/42/408498342.db2.gz RIXKTJREYNMCRX-ZDUSSCGKSA-N 1 2 322.434 1.355 20 70 DDIDLO Cc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(=O)[nH]c1C ZINC000159656983 490677491 /nfs/dbraw/zinc/67/74/91/490677491.db2.gz SWPGDPMQKLDQBS-UHFFFAOYSA-N 1 2 309.329 1.825 20 70 DDIDLO CCC[N@H+](Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161115047 539220897 /nfs/dbraw/zinc/22/08/97/539220897.db2.gz KEOBWABWPJVHHB-CQSZACIVSA-N 1 2 311.451 1.547 20 70 DDIDLO CCC[N@@H+](Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161115047 539220899 /nfs/dbraw/zinc/22/08/99/539220899.db2.gz KEOBWABWPJVHHB-CQSZACIVSA-N 1 2 311.451 1.547 20 70 DDIDLO CCC(CC)[C@@H](C(=O)Nc1c[nH]c(=O)c(C)c1)[NH+]1CCOCC1 ZINC000159379738 290757034 /nfs/dbraw/zinc/75/70/34/290757034.db2.gz XCEIKGNAVLXZHT-HNNXBMFYSA-N 1 2 321.421 1.759 20 70 DDIDLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159534327 186125406 /nfs/dbraw/zinc/12/54/06/186125406.db2.gz MFFSFNQTNSTDFB-UHFFFAOYSA-N 1 2 304.390 1.582 20 70 DDIDLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159534327 186125408 /nfs/dbraw/zinc/12/54/08/186125408.db2.gz MFFSFNQTNSTDFB-UHFFFAOYSA-N 1 2 304.390 1.582 20 70 DDIDLO C[C@H](CNC(=O)c1cccc2nc[nH]c21)C[NH+]1CCOCC1 ZINC000159631671 186132076 /nfs/dbraw/zinc/13/20/76/186132076.db2.gz GOUFFPOTZBYEOC-GFCCVEGCSA-N 1 2 302.378 1.261 20 70 DDIDLO CN(CC1CCOCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160229336 197393790 /nfs/dbraw/zinc/39/37/90/197393790.db2.gz DCIIWNPFRXVETI-HNNXBMFYSA-N 1 2 318.421 1.728 20 70 DDIDLO O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159564457 162148270 /nfs/dbraw/zinc/14/82/70/162148270.db2.gz QORSBJZZXUGJST-AWEZNQCLSA-N 1 2 322.372 1.724 20 70 DDIDLO COc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1O ZINC000159693793 408428690 /nfs/dbraw/zinc/42/86/90/408428690.db2.gz RAGRKDVTEMVFNF-GFCCVEGCSA-N 1 2 301.346 1.476 20 70 DDIDLO COCCNc1nc(N2CCC[C@@H]2C)[nH+]c(N2CCC[C@@H]2C)n1 ZINC000160756730 408520401 /nfs/dbraw/zinc/52/04/01/408520401.db2.gz UYIUFMFINGSYQN-STQMWFEESA-N 1 2 320.441 1.907 20 70 DDIDLO CO[C@@H]1CCC[C@@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000160178678 408461159 /nfs/dbraw/zinc/46/11/59/408461159.db2.gz XDSYEXYHBTYAAA-UONOGXRCSA-N 1 2 315.377 1.634 20 70 DDIDLO CC[C@H](COC)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160336613 408472632 /nfs/dbraw/zinc/47/26/32/408472632.db2.gz GXUPEGKQGZXVLJ-CQSZACIVSA-N 1 2 306.410 1.334 20 70 DDIDLO C[C@@H](CNS(=O)(=O)CC1CCCCC1)C[NH+]1CCOCC1 ZINC000160379182 408475445 /nfs/dbraw/zinc/47/54/45/408475445.db2.gz OZBFHLQPAUFCHH-AWEZNQCLSA-N 1 2 318.483 1.454 20 70 DDIDLO Cc1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cn1 ZINC000160977879 408547416 /nfs/dbraw/zinc/54/74/16/408547416.db2.gz DVEVUAAVJIVBCK-UHFFFAOYSA-N 1 2 313.361 1.342 20 70 DDIDLO C[C@H]1OCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161030271 408552764 /nfs/dbraw/zinc/55/27/64/408552764.db2.gz BBGHGVDKWXKBSM-HIFRSBDPSA-N 1 2 304.394 1.086 20 70 DDIDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000161043597 408555242 /nfs/dbraw/zinc/55/52/42/408555242.db2.gz XITAVYCLSVVMGB-IXDOHACOSA-N 1 2 315.417 1.346 20 70 DDIDLO CCCn1nc(C)c(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1C ZINC000161397560 408598238 /nfs/dbraw/zinc/59/82/38/408598238.db2.gz LTAOENOBEQWLMN-UHFFFAOYSA-N 1 2 322.453 1.751 20 70 DDIDLO COC(=O)c1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000161416151 408599657 /nfs/dbraw/zinc/59/96/57/408599657.db2.gz VEMWMGRHSZFGSB-SNVBAGLBSA-N 1 2 315.329 1.576 20 70 DDIDLO C[C@@H]1CC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@@H](C)O1 ZINC000160229085 290768638 /nfs/dbraw/zinc/76/86/38/290768638.db2.gz DLRBAZJUGPLKPT-MGPQQGTHSA-N 1 2 318.421 1.916 20 70 DDIDLO CCC(CC)CS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160364986 290770960 /nfs/dbraw/zinc/77/09/60/290770960.db2.gz OPKLGXJNUPNACE-ZDUSSCGKSA-N 1 2 306.472 1.310 20 70 DDIDLO C[C@@H](Cc1ccccc1F)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000160157336 354236733 /nfs/dbraw/zinc/23/67/33/354236733.db2.gz SQNISPVJIBGAKF-GJZGRUSLSA-N 1 2 321.440 1.756 20 70 DDIDLO CC(=O)NCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159484548 197357127 /nfs/dbraw/zinc/35/71/27/197357127.db2.gz PGSXRYIFWSDNIY-GFCCVEGCSA-N 1 2 324.450 1.272 20 70 DDIDLO CNC(=O)COc1ccc([NH2+][C@H](C)CCn2cccn2)cc1 ZINC000159452837 197355478 /nfs/dbraw/zinc/35/54/78/197355478.db2.gz NLBIKTDAGQJDMD-CYBMUJFWSA-N 1 2 302.378 1.899 20 70 DDIDLO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[NH2+]CC2)=N1 ZINC000159425105 197352532 /nfs/dbraw/zinc/35/25/32/197352532.db2.gz FAPAHPPGOYMZHR-UHFFFAOYSA-N 1 2 304.325 1.071 20 70 DDIDLO O=C(CSCC[NH+]1CCOCC1)Nc1cc(F)ccc1F ZINC000159762797 408433617 /nfs/dbraw/zinc/43/36/17/408433617.db2.gz LBCWMFMNEMNXAH-UHFFFAOYSA-N 1 2 316.373 1.969 20 70 DDIDLO C[C@@H](CO)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160399112 408479389 /nfs/dbraw/zinc/47/93/89/408479389.db2.gz OGZHJDAMVAEWBM-ZIAGYGMSSA-N 1 2 323.412 1.081 20 70 DDIDLO O=C1[C@H]([N@@H+]2CCC3(C2)OCCO3)CCCN1c1cccc(F)c1 ZINC000160671186 408510338 /nfs/dbraw/zinc/51/03/38/408510338.db2.gz RIZUYTQZEVUEDW-OAHLLOKOSA-N 1 2 320.364 1.770 20 70 DDIDLO O=C1[C@H]([N@H+]2CCC3(C2)OCCO3)CCCN1c1cccc(F)c1 ZINC000160671186 408510345 /nfs/dbraw/zinc/51/03/45/408510345.db2.gz RIZUYTQZEVUEDW-OAHLLOKOSA-N 1 2 320.364 1.770 20 70 DDIDLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nncn3C)C2)n1 ZINC000160811788 408527272 /nfs/dbraw/zinc/52/72/72/408527272.db2.gz HZZUYKBLRYVUFN-ZDUSSCGKSA-N 1 2 314.393 1.369 20 70 DDIDLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nncn3C)C2)n1 ZINC000160811788 408527279 /nfs/dbraw/zinc/52/72/79/408527279.db2.gz HZZUYKBLRYVUFN-ZDUSSCGKSA-N 1 2 314.393 1.369 20 70 DDIDLO COCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000160988730 408547524 /nfs/dbraw/zinc/54/75/24/408547524.db2.gz UAANKKKAXPEIFD-QGZVFWFLSA-N 1 2 318.417 1.656 20 70 DDIDLO CC[C@]1(C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000160999986 408550139 /nfs/dbraw/zinc/55/01/39/408550139.db2.gz XMNVKIVGPIQBFQ-RHSMWYFYSA-N 1 2 303.406 1.971 20 70 DDIDLO CC[N@H+](CC(=O)NCc1ccccc1OC)Cc1cnn(C)c1 ZINC000161084129 408559242 /nfs/dbraw/zinc/55/92/42/408559242.db2.gz SGDMBNUQRPEMIP-UHFFFAOYSA-N 1 2 316.405 1.567 20 70 DDIDLO CC[N@@H+](CC(=O)NCc1ccccc1OC)Cc1cnn(C)c1 ZINC000161084129 408559248 /nfs/dbraw/zinc/55/92/48/408559248.db2.gz SGDMBNUQRPEMIP-UHFFFAOYSA-N 1 2 316.405 1.567 20 70 DDIDLO CCN(C(=O)CS(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161190361 408572226 /nfs/dbraw/zinc/57/22/26/408572226.db2.gz GUPVIVCWQIYUSO-UHFFFAOYSA-N 1 2 321.402 1.388 20 70 DDIDLO CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161279208 408582096 /nfs/dbraw/zinc/58/20/96/408582096.db2.gz IHFNSAGVCYJNQT-UHFFFAOYSA-N 1 2 309.797 1.120 20 70 DDIDLO Cn1cnc2cc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)ccc21 ZINC000161323826 408587859 /nfs/dbraw/zinc/58/78/59/408587859.db2.gz XAIZTWDQEBRQRT-AWEZNQCLSA-N 1 2 321.384 1.977 20 70 DDIDLO O=C(NCC(F)(F)F)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160044423 408453139 /nfs/dbraw/zinc/45/31/39/408453139.db2.gz DQTIZWRTIKWQHZ-SNVBAGLBSA-N 1 2 302.300 1.912 20 70 DDIDLO CCc1nnc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)[nH]1 ZINC000159412126 408405747 /nfs/dbraw/zinc/40/57/47/408405747.db2.gz CDAQVKLRJVDDLG-CQSZACIVSA-N 1 2 304.398 1.046 20 70 DDIDLO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000159574477 408415348 /nfs/dbraw/zinc/41/53/48/408415348.db2.gz NGMGUBBKGXJTBD-LLVKDONJSA-N 1 2 323.359 1.340 20 70 DDIDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000159574477 408415354 /nfs/dbraw/zinc/41/53/54/408415354.db2.gz NGMGUBBKGXJTBD-LLVKDONJSA-N 1 2 323.359 1.340 20 70 DDIDLO C[C@H]1OCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@H]1C ZINC000159598560 408419675 /nfs/dbraw/zinc/41/96/75/408419675.db2.gz SCGXFZAPUICSTA-QWHCGFSZSA-N 1 2 315.377 1.586 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000159895311 408443264 /nfs/dbraw/zinc/44/32/64/408443264.db2.gz UKSGPKLVKYIIFF-UHFFFAOYSA-N 1 2 311.407 1.209 20 70 DDIDLO CCOC(=O)c1ccc(C[N@H+](CC)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000160581981 408500956 /nfs/dbraw/zinc/50/09/56/408500956.db2.gz PVNALANSCUHYRE-LLVKDONJSA-N 1 2 315.391 1.465 20 70 DDIDLO CCOC(=O)c1ccc(C[N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000160581981 408500961 /nfs/dbraw/zinc/50/09/61/408500961.db2.gz PVNALANSCUHYRE-LLVKDONJSA-N 1 2 315.391 1.465 20 70 DDIDLO CCC[N@H+](Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000161085819 408558645 /nfs/dbraw/zinc/55/86/45/408558645.db2.gz CERHZCVYRONZRR-CYBMUJFWSA-N 1 2 311.403 1.814 20 70 DDIDLO CCC[N@@H+](Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000161085819 408558651 /nfs/dbraw/zinc/55/86/51/408558651.db2.gz CERHZCVYRONZRR-CYBMUJFWSA-N 1 2 311.403 1.814 20 70 DDIDLO CC1CCC(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)CC1 ZINC000161166630 408566430 /nfs/dbraw/zinc/56/64/30/408566430.db2.gz JBQZYRWCKQTFSE-UHFFFAOYSA-N 1 2 313.423 1.030 20 70 DDIDLO CC[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccc(F)cc1 ZINC000161315739 408586183 /nfs/dbraw/zinc/58/61/83/408586183.db2.gz JEDKQKIHLXTZTH-JKSUJKDBSA-N 1 2 305.397 1.435 20 70 DDIDLO CC[N@H+](CCC(=O)OC)Cc1nnc(-c2ccccc2)n1C ZINC000160877962 408533617 /nfs/dbraw/zinc/53/36/17/408533617.db2.gz ICPXKYJLYAJCNE-UHFFFAOYSA-N 1 2 302.378 1.867 20 70 DDIDLO CC[N@@H+](CCC(=O)OC)Cc1nnc(-c2ccccc2)n1C ZINC000160877962 408533621 /nfs/dbraw/zinc/53/36/21/408533621.db2.gz ICPXKYJLYAJCNE-UHFFFAOYSA-N 1 2 302.378 1.867 20 70 DDIDLO O=S1(=O)CC[C@@H](N(Cc2c[nH+]c3ccccn23)C2CC2)C1 ZINC000160288751 290769618 /nfs/dbraw/zinc/76/96/18/290769618.db2.gz KXOIRSLJYPKYHS-CYBMUJFWSA-N 1 2 305.403 1.486 20 70 DDIDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCCCO1 ZINC000159894150 197371715 /nfs/dbraw/zinc/37/17/15/197371715.db2.gz VBEDFAZFKAAMDR-SJORKVTESA-N 1 2 318.417 1.573 20 70 DDIDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCCCO1 ZINC000159894150 197371716 /nfs/dbraw/zinc/37/17/16/197371716.db2.gz VBEDFAZFKAAMDR-SJORKVTESA-N 1 2 318.417 1.573 20 70 DDIDLO CC(C)c1nc(N(C)C)nc(NCCCOC[C@@H]2CCOC2)[nH+]1 ZINC000159959611 408446579 /nfs/dbraw/zinc/44/65/79/408446579.db2.gz ACQBISYFGTYCHW-ZDUSSCGKSA-N 1 2 323.441 1.916 20 70 DDIDLO CC(C)c1nc(NCCCOC[C@@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000159959611 408446583 /nfs/dbraw/zinc/44/65/83/408446583.db2.gz ACQBISYFGTYCHW-ZDUSSCGKSA-N 1 2 323.441 1.916 20 70 DDIDLO O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159365751 408403317 /nfs/dbraw/zinc/40/33/17/408403317.db2.gz ADPYNGNIXGKGLW-LURJTMIESA-N 1 2 317.296 1.955 20 70 DDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000160764461 408521503 /nfs/dbraw/zinc/52/15/03/408521503.db2.gz YGRUJZZZHQHXDH-UHFFFAOYSA-N 1 2 305.426 1.580 20 70 DDIDLO CC[C@@H](c1ccncc1)N(CC)C(=O)NCC[NH+]1CCOCC1 ZINC000160828881 408527857 /nfs/dbraw/zinc/52/78/57/408527857.db2.gz SRLRQJBXJLDOQV-INIZCTEOSA-N 1 2 320.437 1.896 20 70 DDIDLO C[C@@H](CNS(=O)(=O)c1cccc(F)c1)C[NH+]1CCOCC1 ZINC000160385072 408475967 /nfs/dbraw/zinc/47/59/67/408475967.db2.gz DVTSONFIESIOHA-LBPRGKRZSA-N 1 2 316.398 1.072 20 70 DDIDLO Cc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161194788 408570522 /nfs/dbraw/zinc/57/05/22/408570522.db2.gz IEFLYZJASUELIW-LBPRGKRZSA-N 1 2 321.402 1.671 20 70 DDIDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000160937219 408542853 /nfs/dbraw/zinc/54/28/53/408542853.db2.gz FJYJXPMQTJQVLV-OAHLLOKOSA-N 1 2 317.433 1.789 20 70 DDIDLO COC(C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1)OC ZINC000161502034 408609744 /nfs/dbraw/zinc/60/97/44/408609744.db2.gz BRFVYMDKRSETRE-RYUDHWBXSA-N 1 2 301.408 1.491 20 70 DDIDLO COC(C[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1)OC ZINC000161502034 408609749 /nfs/dbraw/zinc/60/97/49/408609749.db2.gz BRFVYMDKRSETRE-RYUDHWBXSA-N 1 2 301.408 1.491 20 70 DDIDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COCC)C1 ZINC000217183464 201511512 /nfs/dbraw/zinc/51/15/12/201511512.db2.gz OBFXCWRDAGPVFS-SOUVJXGZSA-N 1 2 300.443 1.401 20 70 DDIDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COCC)C1 ZINC000217183464 201511514 /nfs/dbraw/zinc/51/15/14/201511514.db2.gz OBFXCWRDAGPVFS-SOUVJXGZSA-N 1 2 300.443 1.401 20 70 DDIDLO C[C@@]1(O)CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000160097069 197385002 /nfs/dbraw/zinc/38/50/02/197385002.db2.gz YPMUEBRXZZWZDD-MRXNPFEDSA-N 1 2 302.378 1.433 20 70 DDIDLO COCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159894570 197371966 /nfs/dbraw/zinc/37/19/66/197371966.db2.gz UUJBCVXNSVRERJ-CQSZACIVSA-N 1 2 306.410 1.334 20 70 DDIDLO CCCCOCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159780623 197363773 /nfs/dbraw/zinc/36/37/73/197363773.db2.gz WDBIFYQSPSAPJX-UHFFFAOYSA-N 1 2 320.437 1.726 20 70 DDIDLO CC(=O)NCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159484382 197356825 /nfs/dbraw/zinc/35/68/25/197356825.db2.gz PGSXRYIFWSDNIY-LBPRGKRZSA-N 1 2 324.450 1.272 20 70 DDIDLO CC[C@@H](C)CS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159471888 408411571 /nfs/dbraw/zinc/41/15/71/408411571.db2.gz OWBHQTNBBKXHDE-CQSZACIVSA-N 1 2 320.499 1.653 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000159658382 408424679 /nfs/dbraw/zinc/42/46/79/408424679.db2.gz ONAAFSXBXYEWAT-UHFFFAOYSA-N 1 2 316.401 1.851 20 70 DDIDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccc(Cl)cn1 ZINC000159823178 408435821 /nfs/dbraw/zinc/43/58/21/408435821.db2.gz GBECCEQXWJSDKM-UHFFFAOYSA-N 1 2 315.826 1.739 20 70 DDIDLO Cn1cnc2cc(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cnc21 ZINC000160727841 408517709 /nfs/dbraw/zinc/51/77/09/408517709.db2.gz WKXBBMYLXPZWHL-CYBMUJFWSA-N 1 2 310.361 1.470 20 70 DDIDLO Cn1c(C[NH+]2CCC(CC(N)=O)CC2)nnc1-c1ccccc1 ZINC000160798830 408525093 /nfs/dbraw/zinc/52/50/93/408525093.db2.gz DNYNBBARYYSWMM-UHFFFAOYSA-N 1 2 313.405 1.570 20 70 DDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc2c1OCO2 ZINC000161277675 408581044 /nfs/dbraw/zinc/58/10/44/408581044.db2.gz SCURPBFDRDNBCD-GFCCVEGCSA-N 1 2 311.341 1.819 20 70 DDIDLO C[C@@H]1OCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@H]1C ZINC000159598301 525563915 /nfs/dbraw/zinc/56/39/15/525563915.db2.gz SCGXFZAPUICSTA-STQMWFEESA-N 1 2 315.377 1.586 20 70 DDIDLO Cn1cnnc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000160865709 290777556 /nfs/dbraw/zinc/77/75/56/290777556.db2.gz MWIKKYSGYCWJGK-UHFFFAOYSA-N 1 2 305.426 1.476 20 70 DDIDLO CC(C)Cn1c(CCC(N)=O)nnc1SCCn1cc[nH+]c1 ZINC000159737229 408430070 /nfs/dbraw/zinc/43/00/70/408430070.db2.gz KEOBLNUUTMRUEC-UHFFFAOYSA-N 1 2 322.438 1.341 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1coc2ccccc12 ZINC000159843932 408437208 /nfs/dbraw/zinc/43/72/08/408437208.db2.gz SBRPFQZFQNWSQI-CYBMUJFWSA-N 1 2 302.330 1.296 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1coc2ccccc12 ZINC000159843932 408437212 /nfs/dbraw/zinc/43/72/12/408437212.db2.gz SBRPFQZFQNWSQI-CYBMUJFWSA-N 1 2 302.330 1.296 20 70 DDIDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000160802182 408524292 /nfs/dbraw/zinc/52/42/92/408524292.db2.gz XQLVWOYXZIDSFB-HNNXBMFYSA-N 1 2 313.405 1.583 20 70 DDIDLO CC(=O)N[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000160802182 408524298 /nfs/dbraw/zinc/52/42/98/408524298.db2.gz XQLVWOYXZIDSFB-HNNXBMFYSA-N 1 2 313.405 1.583 20 70 DDIDLO COC(=O)c1ccc(CN2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000161175961 408568282 /nfs/dbraw/zinc/56/82/82/408568282.db2.gz IYKVLTUXPGZSIP-UHFFFAOYSA-N 1 2 315.373 1.779 20 70 DDIDLO Cn1cc[nH+]c1CS(=O)(=O)CCCOCC(F)(F)F ZINC000161205753 408571568 /nfs/dbraw/zinc/57/15/68/408571568.db2.gz KMXIWKHSQMDJEC-UHFFFAOYSA-N 1 2 300.302 1.304 20 70 DDIDLO CCOC(=O)N[C@H]1CCC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000160865287 408533066 /nfs/dbraw/zinc/53/30/66/408533066.db2.gz GKDNSFYVRHIINK-ZDUSSCGKSA-N 1 2 320.455 1.410 20 70 DDIDLO CCOC(=O)N[C@H]1CCC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000160865287 408533069 /nfs/dbraw/zinc/53/30/69/408533069.db2.gz GKDNSFYVRHIINK-ZDUSSCGKSA-N 1 2 320.455 1.410 20 70 DDIDLO COC(=O)[C@H](C)C[N@H+](Cc1nncn1C)Cc1ccccc1 ZINC000160890301 408535187 /nfs/dbraw/zinc/53/51/87/408535187.db2.gz NMAFJOPAESIUPO-CYBMUJFWSA-N 1 2 302.378 1.626 20 70 DDIDLO COC(=O)[C@H](C)C[N@@H+](Cc1nncn1C)Cc1ccccc1 ZINC000160890301 408535194 /nfs/dbraw/zinc/53/51/94/408535194.db2.gz NMAFJOPAESIUPO-CYBMUJFWSA-N 1 2 302.378 1.626 20 70 DDIDLO COCC[NH+](CCOC)Cc1nnc(-c2ccccc2)n1C ZINC000160708580 484066446 /nfs/dbraw/zinc/06/64/46/484066446.db2.gz UAQNOTGJIFQILB-UHFFFAOYSA-N 1 2 304.394 1.577 20 70 DDIDLO Cc1nccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c1Cl ZINC000159699641 539218965 /nfs/dbraw/zinc/21/89/65/539218965.db2.gz YIIBAKCSAUHDKE-SNVBAGLBSA-N 1 2 312.801 1.886 20 70 DDIDLO Cc1cccc(N2CC[NH+](CCCCS(C)(=O)=O)CC2)c1 ZINC000161305486 539221441 /nfs/dbraw/zinc/22/14/41/539221441.db2.gz BQRFHDPIUZKRGG-UHFFFAOYSA-N 1 2 310.463 1.942 20 70 DDIDLO CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000159565419 290759689 /nfs/dbraw/zinc/75/96/89/290759689.db2.gz ASXADNWNFQSOKY-BPUTZDHNSA-N 1 2 310.438 1.465 20 70 DDIDLO CC(C)C[C@H](CNC(=O)[C@H]1CCC(=O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000159578588 290759714 /nfs/dbraw/zinc/75/97/14/290759714.db2.gz CYEAJLWSZJJVIY-UXLLHSPISA-N 1 2 324.465 1.855 20 70 DDIDLO O=C1c2ccccc2C(=O)N1CSCC[NH+]1CCOCC1 ZINC000159926873 197373373 /nfs/dbraw/zinc/37/33/73/197373373.db2.gz NGCSRJQFQBKUNQ-UHFFFAOYSA-N 1 2 306.387 1.306 20 70 DDIDLO CCOC(=O)CCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159421786 197352794 /nfs/dbraw/zinc/35/27/94/197352794.db2.gz NQFKMUKUOJKQQS-KGLIPLIRSA-N 1 2 311.378 1.747 20 70 DDIDLO CCOC(=O)CCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159421786 197352795 /nfs/dbraw/zinc/35/27/95/197352795.db2.gz NQFKMUKUOJKQQS-KGLIPLIRSA-N 1 2 311.378 1.747 20 70 DDIDLO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)[nH]1 ZINC000159394794 197350554 /nfs/dbraw/zinc/35/05/54/197350554.db2.gz CXGKKPLGTBWDPB-LLVKDONJSA-N 1 2 301.398 1.673 20 70 DDIDLO CCc1nnc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)[nH]1 ZINC000159394794 197350555 /nfs/dbraw/zinc/35/05/55/197350555.db2.gz CXGKKPLGTBWDPB-LLVKDONJSA-N 1 2 301.398 1.673 20 70 DDIDLO C[N@@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C[C@@H]1CCC[C@@H]1O ZINC000159545623 408415650 /nfs/dbraw/zinc/41/56/50/408415650.db2.gz ILOUAXGGXLEYOZ-AAEUAGOBSA-N 1 2 323.418 1.101 20 70 DDIDLO C[N@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C[C@@H]1CCC[C@@H]1O ZINC000159545623 408415656 /nfs/dbraw/zinc/41/56/56/408415656.db2.gz ILOUAXGGXLEYOZ-AAEUAGOBSA-N 1 2 323.418 1.101 20 70 DDIDLO CCC[C@@H](C)CS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160381229 408476617 /nfs/dbraw/zinc/47/66/17/408476617.db2.gz FUROOWQGAHPTSI-ZIAGYGMSSA-N 1 2 306.472 1.310 20 70 DDIDLO C[C@H](CNS(=O)(=O)CCC(C)(C)C)C[NH+]1CCOCC1 ZINC000160381075 408477080 /nfs/dbraw/zinc/47/70/80/408477080.db2.gz RGYVNEVJIRQGSX-CYBMUJFWSA-N 1 2 306.472 1.310 20 70 DDIDLO Cc1ccc(F)c(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000160963969 408545002 /nfs/dbraw/zinc/54/50/02/408545002.db2.gz QDZOUQVMTHOJDQ-INIZCTEOSA-N 1 2 306.381 1.957 20 70 DDIDLO CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1[nH+]cnc2c1cnn2C ZINC000161337792 408589036 /nfs/dbraw/zinc/58/90/36/408589036.db2.gz QGMAYFRTXKABAR-CQSZACIVSA-N 1 2 324.388 1.475 20 70 DDIDLO COc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(O)c1 ZINC000161329153 408590471 /nfs/dbraw/zinc/59/04/71/408590471.db2.gz IPSWZSZLGUQIJM-LBPRGKRZSA-N 1 2 313.357 1.805 20 70 DDIDLO CC[C@H](O)CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160955105 408541502 /nfs/dbraw/zinc/54/15/02/408541502.db2.gz JDCLHWUXCNXXGB-AWEZNQCLSA-N 1 2 306.410 1.642 20 70 DDIDLO Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000161453329 408605825 /nfs/dbraw/zinc/60/58/25/408605825.db2.gz CHZQUAMJUBQKAQ-LSDHHAIUSA-N 1 2 313.405 1.814 20 70 DDIDLO O=C(NCCn1cc[nH+]c1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160208316 197392973 /nfs/dbraw/zinc/39/29/73/197392973.db2.gz RSUBPJFDLBSKLD-HNNXBMFYSA-N 1 2 316.361 1.873 20 70 DDIDLO O=S(=O)(Cc1c(F)cccc1F)NCCn1cc[nH+]c1 ZINC000160154900 197389724 /nfs/dbraw/zinc/38/97/24/197389724.db2.gz TZDQCJXNHUUKKU-UHFFFAOYSA-N 1 2 301.318 1.281 20 70 DDIDLO Cc1cccc(C)c1CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000159899067 197371731 /nfs/dbraw/zinc/37/17/31/197371731.db2.gz YAMYPCAAEMBFJJ-MRXNPFEDSA-N 1 2 319.449 1.866 20 70 DDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N1CCC(C)CC1 ZINC000159765491 408431759 /nfs/dbraw/zinc/43/17/59/408431759.db2.gz PGDSTPLDYLHWIO-AWEZNQCLSA-N 1 2 300.468 1.699 20 70 DDIDLO CCCn1c(C)nnc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000159825678 408438550 /nfs/dbraw/zinc/43/85/50/408438550.db2.gz GGGGJDHDJOJBSG-INIZCTEOSA-N 1 2 321.469 1.683 20 70 DDIDLO CCCn1c(C)nnc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000159825678 408438555 /nfs/dbraw/zinc/43/85/55/408438555.db2.gz GGGGJDHDJOJBSG-INIZCTEOSA-N 1 2 321.469 1.683 20 70 DDIDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000160428707 408480693 /nfs/dbraw/zinc/48/06/93/408480693.db2.gz SKQUEGGAGKVZER-WBMJQRKESA-N 1 2 320.437 1.106 20 70 DDIDLO COc1cccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000160753131 408519596 /nfs/dbraw/zinc/51/95/96/408519596.db2.gz JQSSEDTWBIHCKZ-UHFFFAOYSA-N 1 2 314.389 1.387 20 70 DDIDLO COc1cccc2c1CC[C@H]2NC(=O)NCC[NH+]1CCOCC1 ZINC000160277004 408467896 /nfs/dbraw/zinc/46/78/96/408467896.db2.gz ZKFQCDWHYVZNKM-OAHLLOKOSA-N 1 2 319.405 1.314 20 70 DDIDLO CN(C)c1ncc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)cn1 ZINC000161124057 408562076 /nfs/dbraw/zinc/56/20/76/408562076.db2.gz JOBZBDKBXVLZTB-UHFFFAOYSA-N 1 2 317.368 1.752 20 70 DDIDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cn1 ZINC000161124057 408562078 /nfs/dbraw/zinc/56/20/78/408562078.db2.gz JOBZBDKBXVLZTB-UHFFFAOYSA-N 1 2 317.368 1.752 20 70 DDIDLO Cn1cc[nH+]c1CS(=O)(=O)CCCOCCc1ccccc1 ZINC000161204037 408571775 /nfs/dbraw/zinc/57/17/75/408571775.db2.gz NYKXSUAHQUHEQV-UHFFFAOYSA-N 1 2 322.430 1.984 20 70 DDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)NC(C)(C)C ZINC000161210640 408573569 /nfs/dbraw/zinc/57/35/69/408573569.db2.gz FDWGHHTYHIZRBG-LLVKDONJSA-N 1 2 315.439 1.682 20 70 DDIDLO CC(=O)NC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000160879282 408534666 /nfs/dbraw/zinc/53/46/66/408534666.db2.gz OFMQNWDKFHDOIJ-UHFFFAOYSA-N 1 2 313.405 1.583 20 70 DDIDLO CCOC(=O)C1CC[NH+](CCCS(=O)(=O)C(C)C)CC1 ZINC000160478701 290772710 /nfs/dbraw/zinc/77/27/10/290772710.db2.gz LQVDZQMVARFVCI-UHFFFAOYSA-N 1 2 305.440 1.475 20 70 DDIDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CCCn3cccc3)CC2)S1 ZINC000159695233 186135759 /nfs/dbraw/zinc/13/57/59/186135759.db2.gz QIELFENQAFVGBA-CQSZACIVSA-N 1 2 320.462 1.904 20 70 DDIDLO CCO[C@H](C)c1noc(CSCC[NH+]2CCOCC2)n1 ZINC000159940560 408446694 /nfs/dbraw/zinc/44/66/94/408446694.db2.gz YVBQSIWKNIDQJJ-LLVKDONJSA-N 1 2 301.412 1.733 20 70 DDIDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC000159773811 408432756 /nfs/dbraw/zinc/43/27/56/408432756.db2.gz UTHOOOZIVJVDCA-JTQLQIEISA-N 1 2 312.357 1.215 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1nc(C2CC2)cs1 ZINC000160594027 408500658 /nfs/dbraw/zinc/50/06/58/408500658.db2.gz KRRQEQBCLFZWCB-LLVKDONJSA-N 1 2 324.450 1.540 20 70 DDIDLO CC(C)N(C[C@@H](C)O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160732897 408517266 /nfs/dbraw/zinc/51/72/66/408517266.db2.gz MGFKCJYNJLDFMF-CYBMUJFWSA-N 1 2 308.426 1.563 20 70 DDIDLO COCCOc1cccc(CC(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000160201851 408462438 /nfs/dbraw/zinc/46/24/38/408462438.db2.gz PLUFGISQXQEBAX-UHFFFAOYSA-N 1 2 317.389 1.646 20 70 DDIDLO CC(C)(CNC(=O)c1ccnc(Cl)c1F)[NH+]1CCOCC1 ZINC000160977962 408547992 /nfs/dbraw/zinc/54/79/92/408547992.db2.gz VYLCFLKCRBRHNQ-UHFFFAOYSA-N 1 2 315.776 1.715 20 70 DDIDLO CC[C@H](O)CN(Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000161089114 408558283 /nfs/dbraw/zinc/55/82/83/408558283.db2.gz OOQUCZNWDAIVJT-INIZCTEOSA-N 1 2 316.405 1.866 20 70 DDIDLO CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161159169 408566691 /nfs/dbraw/zinc/56/66/91/408566691.db2.gz JNVLVEOWROTUCQ-CHWSQXEVSA-N 1 2 316.323 1.949 20 70 DDIDLO CCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161159169 408566698 /nfs/dbraw/zinc/56/66/98/408566698.db2.gz JNVLVEOWROTUCQ-CHWSQXEVSA-N 1 2 316.323 1.949 20 70 DDIDLO Cc1nsc(N2CCN(Cc3c[nH+]c4ccccn34)CC2)n1 ZINC000160884566 408534769 /nfs/dbraw/zinc/53/47/69/408534769.db2.gz OTWNRIBYXRHLMK-UHFFFAOYSA-N 1 2 314.418 1.816 20 70 DDIDLO Cc1ccc2cc(C(=O)N(C)CC[NH+]3CCOCC3)ccc2n1 ZINC000161457615 408605067 /nfs/dbraw/zinc/60/50/67/408605067.db2.gz XHKPJFIPMLOWTG-UHFFFAOYSA-N 1 2 313.401 1.947 20 70 DDIDLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c2ccccc21 ZINC000160396922 527165283 /nfs/dbraw/zinc/16/52/83/527165283.db2.gz ULKMGUDDPLWJDW-CQSZACIVSA-N 1 2 313.401 1.771 20 70 DDIDLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c2ccccc21 ZINC000160396922 527165288 /nfs/dbraw/zinc/16/52/88/527165288.db2.gz ULKMGUDDPLWJDW-CQSZACIVSA-N 1 2 313.401 1.771 20 70 DDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1ccccc1 ZINC000161237547 197477339 /nfs/dbraw/zinc/47/73/39/197477339.db2.gz LLMMMIPRXHBUNB-UHFFFAOYSA-N 1 2 310.401 1.838 20 70 DDIDLO CCOC(=O)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231388 197393631 /nfs/dbraw/zinc/39/36/31/197393631.db2.gz BOFNLDDMCJGBJW-CYBMUJFWSA-N 1 2 309.341 1.585 20 70 DDIDLO CCOC(=O)C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231388 197393634 /nfs/dbraw/zinc/39/36/34/197393634.db2.gz BOFNLDDMCJGBJW-CYBMUJFWSA-N 1 2 309.341 1.585 20 70 DDIDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000160068851 197383474 /nfs/dbraw/zinc/38/34/74/197383474.db2.gz HVOZSERYISNWRG-UHFFFAOYSA-N 1 2 310.361 1.626 20 70 DDIDLO CCO[C@@H](C)c1noc(CSCC[NH+]2CCOCC2)n1 ZINC000159940440 408445722 /nfs/dbraw/zinc/44/57/22/408445722.db2.gz YVBQSIWKNIDQJJ-NSHDSACASA-N 1 2 301.412 1.733 20 70 DDIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C)n1 ZINC000159855731 408438762 /nfs/dbraw/zinc/43/87/62/408438762.db2.gz IQCXBUZJNVUROK-DZGCQCFKSA-N 1 2 318.421 1.120 20 70 DDIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C)n1 ZINC000159855731 408438769 /nfs/dbraw/zinc/43/87/69/408438769.db2.gz IQCXBUZJNVUROK-DZGCQCFKSA-N 1 2 318.421 1.120 20 70 DDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NOCC(C)C ZINC000161170589 408568329 /nfs/dbraw/zinc/56/83/29/408568329.db2.gz FCQWKZBUWZKWJE-UHFFFAOYSA-N 1 2 308.382 1.936 20 70 DDIDLO CC(C)Oc1cncc(C(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000161246608 408579251 /nfs/dbraw/zinc/57/92/51/408579251.db2.gz USRBKKWSBMTAKH-UHFFFAOYSA-N 1 2 307.394 1.273 20 70 DDIDLO COCc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC000161366564 408594072 /nfs/dbraw/zinc/59/40/72/408594072.db2.gz LRGDBZRLCULOAE-LBPRGKRZSA-N 1 2 314.393 1.827 20 70 DDIDLO CN(C)C(=O)[C@H](Cc1ccccc1)Nc1[nH+]cnc2c1cnn2C ZINC000161337651 197486344 /nfs/dbraw/zinc/48/63/44/197486344.db2.gz QGMAYFRTXKABAR-AWEZNQCLSA-N 1 2 324.388 1.475 20 70 DDIDLO Cc1ccc(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)cn1 ZINC000160039095 408451247 /nfs/dbraw/zinc/45/12/47/408451247.db2.gz YRYMQIFBJFRPJO-UHFFFAOYSA-N 1 2 313.361 1.106 20 70 DDIDLO CCCC1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000160510317 408492559 /nfs/dbraw/zinc/49/25/59/408492559.db2.gz ZAFGHGRRMPPBHJ-UHFFFAOYSA-N 1 2 316.449 1.900 20 70 DDIDLO O=C1[C@@H]([N@@H+]2CCC3(C2)OCCO3)CCCN1c1ccccc1 ZINC000160694177 408513743 /nfs/dbraw/zinc/51/37/43/408513743.db2.gz AYADIHHXCUXQJW-HNNXBMFYSA-N 1 2 302.374 1.631 20 70 DDIDLO O=C1[C@@H]([N@H+]2CCC3(C2)OCCO3)CCCN1c1ccccc1 ZINC000160694177 408513747 /nfs/dbraw/zinc/51/37/47/408513747.db2.gz AYADIHHXCUXQJW-HNNXBMFYSA-N 1 2 302.374 1.631 20 70 DDIDLO Cc1[nH+]c2ccccn2c1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160289041 408467704 /nfs/dbraw/zinc/46/77/04/408467704.db2.gz NJDRQQQDJCNDQS-CQSZACIVSA-N 1 2 319.430 1.794 20 70 DDIDLO Cc1nc2ccccn2c1C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160289041 408467706 /nfs/dbraw/zinc/46/77/06/408467706.db2.gz NJDRQQQDJCNDQS-CQSZACIVSA-N 1 2 319.430 1.794 20 70 DDIDLO Cc1nc2ccccn2c1C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160289041 408467710 /nfs/dbraw/zinc/46/77/10/408467710.db2.gz NJDRQQQDJCNDQS-CQSZACIVSA-N 1 2 319.430 1.794 20 70 DDIDLO CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@H]([NH3+])C3)=N2)cc1 ZINC000160323031 408470011 /nfs/dbraw/zinc/47/00/11/408470011.db2.gz XIVIYHJXSKFODD-CYBMUJFWSA-N 1 2 314.389 1.875 20 70 DDIDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1F ZINC000161032619 408552330 /nfs/dbraw/zinc/55/23/30/408552330.db2.gz QZWBGNWXTQRAMY-INIZCTEOSA-N 1 2 306.381 1.957 20 70 DDIDLO O=C(NCCN1C(=O)Cc2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000161127770 408563933 /nfs/dbraw/zinc/56/39/33/408563933.db2.gz PHDQPSYZFNYHEK-AWEZNQCLSA-N 1 2 324.384 1.151 20 70 DDIDLO Cn1cnnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000160863942 408532926 /nfs/dbraw/zinc/53/29/26/408532926.db2.gz UOVRJBLEJJZKTK-GFCCVEGCSA-N 1 2 309.414 1.694 20 70 DDIDLO Cn1cnnc1C[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000160863942 408532930 /nfs/dbraw/zinc/53/29/30/408532930.db2.gz UOVRJBLEJJZKTK-GFCCVEGCSA-N 1 2 309.414 1.694 20 70 DDIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)NC(C)(C)C ZINC000159821392 290763541 /nfs/dbraw/zinc/76/35/41/290763541.db2.gz YWPOJPNKZPJEEG-ZDUSSCGKSA-N 1 2 302.484 1.991 20 70 DDIDLO C[C@@H]1[C@H](C)OCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000159598155 408419784 /nfs/dbraw/zinc/41/97/84/408419784.db2.gz SCGXFZAPUICSTA-OLZOCXBDSA-N 1 2 315.377 1.586 20 70 DDIDLO C[C@H](CO)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160399243 408480209 /nfs/dbraw/zinc/48/02/09/408480209.db2.gz OGZHJDAMVAEWBM-KBPBESRZSA-N 1 2 323.412 1.081 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160595197 408502303 /nfs/dbraw/zinc/50/23/03/408502303.db2.gz NNTTVPCLNOARNN-BNOWGMLFSA-N 1 2 324.371 1.905 20 70 DDIDLO Cc1cccc2[nH]c(CNC(=O)[C@@H](C)[NH+]3CCSCC3)nc21 ZINC000160324377 408471395 /nfs/dbraw/zinc/47/13/95/408471395.db2.gz SGCXQKOFPLYIDO-GFCCVEGCSA-N 1 2 318.446 1.925 20 70 DDIDLO Cc1cccc2nc(CNC(=O)[C@@H](C)[NH+]3CCSCC3)[nH]c21 ZINC000160324377 408471396 /nfs/dbraw/zinc/47/13/96/408471396.db2.gz SGCXQKOFPLYIDO-GFCCVEGCSA-N 1 2 318.446 1.925 20 70 DDIDLO CC[N@H+](CC(=O)NCCCc1ccccc1)Cc1cnn(C)c1 ZINC000161081086 408557165 /nfs/dbraw/zinc/55/71/65/408557165.db2.gz LJZMMRGJNDRSHT-UHFFFAOYSA-N 1 2 314.433 1.991 20 70 DDIDLO CC[N@@H+](CC(=O)NCCCc1ccccc1)Cc1cnn(C)c1 ZINC000161081086 408557168 /nfs/dbraw/zinc/55/71/68/408557168.db2.gz LJZMMRGJNDRSHT-UHFFFAOYSA-N 1 2 314.433 1.991 20 70 DDIDLO CCC(=O)N1CC[C@@H](C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000161142424 408563958 /nfs/dbraw/zinc/56/39/58/408563958.db2.gz XXJBITLKEYRMCA-CHWSQXEVSA-N 1 2 304.394 1.722 20 70 DDIDLO CCc1nc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000161149303 408565712 /nfs/dbraw/zinc/56/57/12/408565712.db2.gz DOAHTBMBWACLFU-LLVKDONJSA-N 1 2 304.419 1.823 20 70 DDIDLO CN(CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)OC(C)(C)C ZINC000161158684 408567378 /nfs/dbraw/zinc/56/73/78/408567378.db2.gz ATNVHDPQBVXNDJ-LBPRGKRZSA-N 1 2 322.409 1.429 20 70 DDIDLO Cc1cccc(C[NH+]2CCN(CCCCS(C)(=O)=O)CC2)c1 ZINC000161217089 539221087 /nfs/dbraw/zinc/22/10/87/539221087.db2.gz PGGJNUMCKYHCIA-UHFFFAOYSA-N 1 2 324.490 1.937 20 70 DDIDLO O=C(/C=C\c1ccc2c(c1)CCO2)NCC[NH+]1CCOCC1 ZINC000216707124 539264557 /nfs/dbraw/zinc/26/45/57/539264557.db2.gz JZGKKFPFIXOTCP-RQOWECAXSA-N 1 2 302.374 1.083 20 70 DDIDLO CCOC(=O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231244 197393705 /nfs/dbraw/zinc/39/37/05/197393705.db2.gz BOFNLDDMCJGBJW-ZDUSSCGKSA-N 1 2 309.341 1.585 20 70 DDIDLO CCOC(=O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231244 197393707 /nfs/dbraw/zinc/39/37/07/197393707.db2.gz BOFNLDDMCJGBJW-ZDUSSCGKSA-N 1 2 309.341 1.585 20 70 DDIDLO O=C1[C@H](SCC[NH+]2CCOCC2)CCN1c1ccccc1 ZINC000160065255 197383541 /nfs/dbraw/zinc/38/35/41/197383541.db2.gz SFKKPZFTCDAXFQ-OAHLLOKOSA-N 1 2 306.431 1.857 20 70 DDIDLO C[C@@H](CCO)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000160123804 197386975 /nfs/dbraw/zinc/38/69/75/197386975.db2.gz WJYSDGFDEHJQMB-GWCFXTLKSA-N 1 2 315.364 1.638 20 70 DDIDLO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCn3cnnc3C2)CC1 ZINC000159436718 408408019 /nfs/dbraw/zinc/40/80/19/408408019.db2.gz XZLQBHURQMAJTO-UHFFFAOYSA-N 1 2 305.426 1.378 20 70 DDIDLO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCn3cnnc3C2)CC1 ZINC000159436718 408408024 /nfs/dbraw/zinc/40/80/24/408408024.db2.gz XZLQBHURQMAJTO-UHFFFAOYSA-N 1 2 305.426 1.378 20 70 DDIDLO CC(C)CCS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159468470 408410088 /nfs/dbraw/zinc/41/00/88/408410088.db2.gz LQOGNMLGJLXJRX-UHFFFAOYSA-N 1 2 320.499 1.653 20 70 DDIDLO COc1c(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c(C)nn1C ZINC000159741760 408430869 /nfs/dbraw/zinc/43/08/69/408430869.db2.gz KWVIRGZKNVKUIS-CYBMUJFWSA-N 1 2 306.341 1.192 20 70 DDIDLO C[C@H]1OCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000159778840 408431882 /nfs/dbraw/zinc/43/18/82/408431882.db2.gz OGTISDPSDIWGEX-CHWSQXEVSA-N 1 2 306.410 1.581 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(F)cc2cccnc21 ZINC000160501752 408489722 /nfs/dbraw/zinc/48/97/22/408489722.db2.gz FTHZUVXLCFKIQI-GFCCVEGCSA-N 1 2 317.364 1.824 20 70 DDIDLO CN(C)c1ncccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161225787 408576614 /nfs/dbraw/zinc/57/66/14/408576614.db2.gz BMUAGVCEWFDJCQ-ZDUSSCGKSA-N 1 2 311.389 1.551 20 70 DDIDLO COc1ccc(C(C)(C)C(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000161246979 408578961 /nfs/dbraw/zinc/57/89/61/408578961.db2.gz VSFGYQYRHILIOC-UHFFFAOYSA-N 1 2 320.433 1.763 20 70 DDIDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000160867138 408532668 /nfs/dbraw/zinc/53/26/68/408532668.db2.gz KNRDNERAQBWDBZ-IRXDYDNUSA-N 1 2 318.417 1.745 20 70 DDIDLO COC(=O)[C@@H](C)C[N@H+](Cc1nncn1C)Cc1ccccc1 ZINC000160890162 408534716 /nfs/dbraw/zinc/53/47/16/408534716.db2.gz NMAFJOPAESIUPO-ZDUSSCGKSA-N 1 2 302.378 1.626 20 70 DDIDLO COC(=O)[C@@H](C)C[N@@H+](Cc1nncn1C)Cc1ccccc1 ZINC000160890162 408534720 /nfs/dbraw/zinc/53/47/20/408534720.db2.gz NMAFJOPAESIUPO-ZDUSSCGKSA-N 1 2 302.378 1.626 20 70 DDIDLO Cc1c([C@H](C)[NH2+]CC(=O)NC(C)C)nnn1-c1ccc(F)cc1 ZINC000160963858 408544175 /nfs/dbraw/zinc/54/41/75/408544175.db2.gz DJZNHZHBSARFOO-NSHDSACASA-N 1 2 319.384 1.890 20 70 DDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc2nccnc2c1 ZINC000160410591 526620895 /nfs/dbraw/zinc/62/08/95/526620895.db2.gz VUTREJVEQRLNTQ-AWEZNQCLSA-N 1 2 312.373 1.223 20 70 DDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc2nccnc2c1 ZINC000160410591 526620896 /nfs/dbraw/zinc/62/08/96/526620896.db2.gz VUTREJVEQRLNTQ-AWEZNQCLSA-N 1 2 312.373 1.223 20 70 DDIDLO Cn1cnnc1CN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000160697764 290775889 /nfs/dbraw/zinc/77/58/89/290775889.db2.gz NAQNFCXSHLHJHR-UHFFFAOYSA-N 1 2 311.842 1.848 20 70 DDIDLO Cc1nc(C2([NH2+]CCCS(=O)(=O)C(C)C)CCCC2)no1 ZINC000161028267 290779654 /nfs/dbraw/zinc/77/96/54/290779654.db2.gz VOGRTRJVWLXFRQ-UHFFFAOYSA-N 1 2 315.439 1.950 20 70 DDIDLO O=C1[C@H](SCC[NH+]2CCOCC2)CCN1c1ccccc1F ZINC000159939678 408447232 /nfs/dbraw/zinc/44/72/32/408447232.db2.gz KCWZHLUEDIQXNR-OAHLLOKOSA-N 1 2 324.421 1.996 20 70 DDIDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000159481406 408411335 /nfs/dbraw/zinc/41/13/35/408411335.db2.gz ZSHXIXAHTKNIQE-XJKSGUPXSA-N 1 2 305.397 1.735 20 70 DDIDLO C[C@@H](c1cccc(F)c1)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000159481406 408411338 /nfs/dbraw/zinc/41/13/38/408411338.db2.gz ZSHXIXAHTKNIQE-XJKSGUPXSA-N 1 2 305.397 1.735 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1c(F)cc(F)cc1F ZINC000160593009 408499391 /nfs/dbraw/zinc/49/93/91/408499391.db2.gz NDLDTFVOMUXIIG-VIFPVBQESA-N 1 2 302.296 1.554 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160594872 408501878 /nfs/dbraw/zinc/50/18/78/408501878.db2.gz NNTTVPCLNOARNN-IACUBPJLSA-N 1 2 324.371 1.905 20 70 DDIDLO CC(C)NC(=O)C[NH+]1CCN(Cc2nccn2C(C)C)CC1 ZINC000160703168 408515073 /nfs/dbraw/zinc/51/50/73/408515073.db2.gz NNVWIIYGWXNVSR-UHFFFAOYSA-N 1 2 307.442 1.106 20 70 DDIDLO O=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Nc1cccc(F)c1 ZINC000161048513 408553598 /nfs/dbraw/zinc/55/35/98/408553598.db2.gz DFQHJTBJORIDMS-LLVKDONJSA-N 1 2 316.336 1.340 20 70 DDIDLO O=C(c1cccc(-c2nnc[nH]2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000161182395 408569989 /nfs/dbraw/zinc/56/99/89/408569989.db2.gz ABEXSLSXDYMTGR-UHFFFAOYSA-N 1 2 311.389 1.640 20 70 DDIDLO CN(C(=O)CS(=O)(=O)Cc1[nH+]ccn1C)C1CCCCC1 ZINC000161186624 408571825 /nfs/dbraw/zinc/57/18/25/408571825.db2.gz NCZIUWOKTYHWFU-UHFFFAOYSA-N 1 2 313.423 1.126 20 70 DDIDLO CC[NH+]1CCN([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)CC1 ZINC000161350764 408592807 /nfs/dbraw/zinc/59/28/07/408592807.db2.gz LYDIFYOFXLZTGN-GOSISDBHSA-N 1 2 308.514 1.574 20 70 DDIDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000160268046 518176227 /nfs/dbraw/zinc/17/62/27/518176227.db2.gz ALRASGQGWACUOA-OAHLLOKOSA-N 1 2 317.433 1.789 20 70 DDIDLO CC(C)CN(C(=O)CSCC[NH+]1CCOCC1)C(C)C ZINC000159857121 290763755 /nfs/dbraw/zinc/76/37/55/290763755.db2.gz PIKJTETVZPRVFW-UHFFFAOYSA-N 1 2 302.484 1.945 20 70 DDIDLO CCC[C@@H](C)CS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160381468 290771635 /nfs/dbraw/zinc/77/16/35/290771635.db2.gz FUROOWQGAHPTSI-KGLIPLIRSA-N 1 2 306.472 1.310 20 70 DDIDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(CO)CO)cc1 ZINC000159533764 186125566 /nfs/dbraw/zinc/12/55/66/186125566.db2.gz PBXFLCNSDDLTNB-GFCCVEGCSA-N 1 2 322.405 1.139 20 70 DDIDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO)cc1 ZINC000159533764 186125568 /nfs/dbraw/zinc/12/55/68/186125568.db2.gz PBXFLCNSDDLTNB-GFCCVEGCSA-N 1 2 322.405 1.139 20 70 DDIDLO O=C(Nc1ccc(-n2nccn2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159941168 284297141 /nfs/dbraw/zinc/29/71/41/284297141.db2.gz VVINKRDNHAYTON-LBPRGKRZSA-N 1 2 308.345 1.665 20 70 DDIDLO CCOC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000159378000 408402190 /nfs/dbraw/zinc/40/21/90/408402190.db2.gz LQVJAAUGVGDTRZ-CYBMUJFWSA-N 1 2 305.378 1.604 20 70 DDIDLO CCOC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000159378000 408402197 /nfs/dbraw/zinc/40/21/97/408402197.db2.gz LQVJAAUGVGDTRZ-CYBMUJFWSA-N 1 2 305.378 1.604 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@@H](O)C3)c2c1 ZINC000160468426 408485799 /nfs/dbraw/zinc/48/57/99/408485799.db2.gz KEQQDFURVWODAN-GFCCVEGCSA-N 1 2 316.357 1.594 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@@H](O)C3)c2c1 ZINC000160468426 408485804 /nfs/dbraw/zinc/48/58/04/408485804.db2.gz KEQQDFURVWODAN-GFCCVEGCSA-N 1 2 316.357 1.594 20 70 DDIDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000160367308 408477026 /nfs/dbraw/zinc/47/70/26/408477026.db2.gz DDQVYPRAGOTMIF-SNVBAGLBSA-N 1 2 320.315 1.119 20 70 DDIDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000160367308 408477030 /nfs/dbraw/zinc/47/70/30/408477030.db2.gz DDQVYPRAGOTMIF-SNVBAGLBSA-N 1 2 320.315 1.119 20 70 DDIDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1F ZINC000161032741 408551856 /nfs/dbraw/zinc/55/18/56/408551856.db2.gz QZWBGNWXTQRAMY-MRXNPFEDSA-N 1 2 306.381 1.957 20 70 DDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NC1CCCC1 ZINC000161148945 408567247 /nfs/dbraw/zinc/56/72/47/408567247.db2.gz ZYZVBPJBWJVUSZ-UHFFFAOYSA-N 1 2 302.422 1.258 20 70 DDIDLO CC1CCN(C(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CC1 ZINC000161416051 408599124 /nfs/dbraw/zinc/59/91/24/408599124.db2.gz QDTHURLJWLEUCR-CQSZACIVSA-N 1 2 322.371 1.880 20 70 DDIDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000160867396 408532654 /nfs/dbraw/zinc/53/26/54/408532654.db2.gz KNRDNERAQBWDBZ-DLBZAZTESA-N 1 2 318.417 1.745 20 70 DDIDLO CCC[C@@H](CCc1ccccc1)NC(=O)CN1CC[NH2+]CC1=O ZINC000160939392 354241465 /nfs/dbraw/zinc/24/14/65/354241465.db2.gz JMCRULBAYFFPES-INIZCTEOSA-N 1 2 317.433 1.336 20 70 DDIDLO C[C@@H](CNC(=O)NC[C@]1(C)CCCS1)[NH+]1CCOCC1 ZINC000160228678 354238239 /nfs/dbraw/zinc/23/82/39/354238239.db2.gz XFJYSIDKSHGBLB-JSGCOSHPSA-N 1 2 301.456 1.292 20 70 DDIDLO CC(C)n1nccc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000160283646 197397237 /nfs/dbraw/zinc/39/72/37/197397237.db2.gz MNKHBYZBNZSXGR-UHFFFAOYSA-N 1 2 320.397 1.574 20 70 DDIDLO Cc1ccccc1CCNC(=O)CSCC[NH+]1CCOCC1 ZINC000159792737 197364596 /nfs/dbraw/zinc/36/45/96/197364596.db2.gz XUZOYUZLEBLBSA-UHFFFAOYSA-N 1 2 322.474 1.719 20 70 DDIDLO C[C@H](C(=O)NC[C@H](C)CO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160398990 408479541 /nfs/dbraw/zinc/47/95/41/408479541.db2.gz OGZHJDAMVAEWBM-UONOGXRCSA-N 1 2 323.412 1.081 20 70 DDIDLO Cc1cc(C[C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)n[nH]1 ZINC000161412314 408599712 /nfs/dbraw/zinc/59/97/12/408599712.db2.gz OIEJVGLJYNCPQU-ZDUSSCGKSA-N 1 2 300.406 1.897 20 70 DDIDLO CC(C)(F)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000160024205 197380564 /nfs/dbraw/zinc/38/05/64/197380564.db2.gz OCHNFZWEMWZUDU-CABCVRRESA-N 1 2 306.381 1.846 20 70 DDIDLO CC(C)(F)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000160024205 197380565 /nfs/dbraw/zinc/38/05/65/197380565.db2.gz OCHNFZWEMWZUDU-CABCVRRESA-N 1 2 306.381 1.846 20 70 DDIDLO CC(=O)c1cccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159860448 197369141 /nfs/dbraw/zinc/36/91/41/197369141.db2.gz OPCIPCVVGRZICG-ZBFHGGJFSA-N 1 2 304.390 1.921 20 70 DDIDLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159860448 197369143 /nfs/dbraw/zinc/36/91/43/197369143.db2.gz OPCIPCVVGRZICG-ZBFHGGJFSA-N 1 2 304.390 1.921 20 70 DDIDLO C[C@H]1CCC[C@H](C)N1C(=O)CSCC[NH+]1CCOCC1 ZINC000159761090 408432083 /nfs/dbraw/zinc/43/20/83/408432083.db2.gz RVHAXCRZMKBLHN-KBPBESRZSA-N 1 2 300.468 1.841 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCCc1nc(C2CC2)no1 ZINC000159908545 408444831 /nfs/dbraw/zinc/44/48/31/408444831.db2.gz QPFAJGOAMLQAFX-GFCCVEGCSA-N 1 2 322.409 1.107 20 70 DDIDLO CCc1nnc(C[NH2+][C@@H](CC)c2cccc(S(N)(=O)=O)c2)[nH]1 ZINC000160418562 408482721 /nfs/dbraw/zinc/48/27/21/408482721.db2.gz DZRZJOYDMKHJTG-LBPRGKRZSA-N 1 2 323.422 1.255 20 70 DDIDLO CC[N@H+](Cc1cnc2nc(C)cc(C)n12)[C@@H]1CCS(=O)(=O)C1 ZINC000160560368 408496806 /nfs/dbraw/zinc/49/68/06/408496806.db2.gz RIXKTJREYNMCRX-CYBMUJFWSA-N 1 2 322.434 1.355 20 70 DDIDLO CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)[C@@H]1CCS(=O)(=O)C1 ZINC000160560368 408496811 /nfs/dbraw/zinc/49/68/11/408496811.db2.gz RIXKTJREYNMCRX-CYBMUJFWSA-N 1 2 322.434 1.355 20 70 DDIDLO O=C(NCC[NH+]1CCOCC1)NC1(c2cccc(F)c2)CC1 ZINC000160820087 408526191 /nfs/dbraw/zinc/52/61/91/408526191.db2.gz XLGWKYBBFUDKLU-UHFFFAOYSA-N 1 2 307.369 1.446 20 70 DDIDLO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161106701 408561795 /nfs/dbraw/zinc/56/17/95/408561795.db2.gz PKHNPKODYNLTGV-KBPBESRZSA-N 1 2 318.421 1.209 20 70 DDIDLO O=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc21 ZINC000161140090 408564852 /nfs/dbraw/zinc/56/48/52/408564852.db2.gz YTOIWEVNXOSAHT-AWEZNQCLSA-N 1 2 324.384 1.151 20 70 DDIDLO CC(C)[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161177205 408569083 /nfs/dbraw/zinc/56/90/83/408569083.db2.gz HWZGQQWPOHXLSZ-OAHLLOKOSA-N 1 2 304.438 1.360 20 70 DDIDLO CCC(C)(C)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161232466 290782947 /nfs/dbraw/zinc/78/29/47/290782947.db2.gz UWCJONXVMPIMLB-UHFFFAOYSA-N 1 2 304.438 1.504 20 70 DDIDLO C[N@H+](CC(C)(CO)CO)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000159543325 186125825 /nfs/dbraw/zinc/12/58/25/186125825.db2.gz YNVONPIQVUHLGF-HNNXBMFYSA-N 1 2 324.396 1.068 20 70 DDIDLO C[N@@H+](CC(C)(CO)CO)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000159543325 186125826 /nfs/dbraw/zinc/12/58/26/186125826.db2.gz YNVONPIQVUHLGF-HNNXBMFYSA-N 1 2 324.396 1.068 20 70 DDIDLO [NH3+]C1(CNC(=O)c2ccc(N3CCCC3)nn2)CCCCC1 ZINC000159717879 186137242 /nfs/dbraw/zinc/13/72/42/186137242.db2.gz JUZMTIMRYZUKQC-UHFFFAOYSA-N 1 2 303.410 1.468 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000159892479 408440849 /nfs/dbraw/zinc/44/08/49/408440849.db2.gz ISGFIURHSKRABE-UHFFFAOYSA-N 1 2 310.419 1.814 20 70 DDIDLO FC(F)(F)c1ccnc(N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000160416188 408482230 /nfs/dbraw/zinc/48/22/30/408482230.db2.gz WGIJSNBOVNTGEY-NSHDSACASA-N 1 2 316.327 1.796 20 70 DDIDLO Cc1cccc2[nH]c(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)nc21 ZINC000160523611 408491010 /nfs/dbraw/zinc/49/10/10/408491010.db2.gz UINQJCSRNNVOOQ-LBPRGKRZSA-N 1 2 309.373 1.947 20 70 DDIDLO Cc1cccc2nc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[nH]c21 ZINC000160523611 408491016 /nfs/dbraw/zinc/49/10/16/408491016.db2.gz UINQJCSRNNVOOQ-LBPRGKRZSA-N 1 2 309.373 1.947 20 70 DDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1nccs1 ZINC000161162511 408566516 /nfs/dbraw/zinc/56/65/16/408566516.db2.gz LEGGTCYCQPFQQB-UHFFFAOYSA-N 1 2 317.418 1.294 20 70 DDIDLO O=C(N[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161465559 408605342 /nfs/dbraw/zinc/60/53/42/408605342.db2.gz FMPDFWYMLXPVSO-CABCVRRESA-N 1 2 310.401 1.841 20 70 DDIDLO CC(C)(C)c1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)[nH]n1 ZINC000160429002 518995076 /nfs/dbraw/zinc/99/50/76/518995076.db2.gz MCRKAPHFLXXUEF-GFCCVEGCSA-N 1 2 306.410 1.300 20 70 DDIDLO CC(C)(C)c1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)[nH]n1 ZINC000160429002 518995067 /nfs/dbraw/zinc/99/50/67/518995067.db2.gz MCRKAPHFLXXUEF-GFCCVEGCSA-N 1 2 306.410 1.300 20 70 DDIDLO CO[C@@H]1CCC[C@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000159764213 290762145 /nfs/dbraw/zinc/76/21/45/290762145.db2.gz FSPJTFBIXUEYGI-ZIAGYGMSSA-N 1 2 302.378 1.744 20 70 DDIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000160319847 290770094 /nfs/dbraw/zinc/77/00/94/290770094.db2.gz BXUPVRHAVXOFNY-GFCCVEGCSA-N 1 2 300.399 1.881 20 70 DDIDLO CCCOC(=O)[C@@H](C)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000159713103 186137047 /nfs/dbraw/zinc/13/70/47/186137047.db2.gz LXHOYJOLEGNJLV-CYBMUJFWSA-N 1 2 309.410 1.751 20 70 DDIDLO CC(C)c1cc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)n[nH]1 ZINC000160245554 197394831 /nfs/dbraw/zinc/39/48/31/197394831.db2.gz NDLKCCOXYPMRCC-UHFFFAOYSA-N 1 2 322.453 1.964 20 70 DDIDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@](C)(O)C2)c[nH+]1 ZINC000160221394 197393606 /nfs/dbraw/zinc/39/36/06/197393606.db2.gz GKJCLFWNHNMOGJ-QGZVFWFLSA-N 1 2 320.437 1.984 20 70 DDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NCc1ccccc1 ZINC000159844689 197367786 /nfs/dbraw/zinc/36/77/86/197367786.db2.gz MXOCLCSWJNZHDM-CQSZACIVSA-N 1 2 308.447 1.757 20 70 DDIDLO COc1ccsc1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000159786394 197364125 /nfs/dbraw/zinc/36/41/25/197364125.db2.gz NFDJBLKHBLAGEX-UHFFFAOYSA-N 1 2 312.372 1.739 20 70 DDIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCCO)c(OC)c2)[nH]1 ZINC000160375388 162148105 /nfs/dbraw/zinc/14/81/05/162148105.db2.gz ARFJQODCJVNZEL-LLVKDONJSA-N 1 2 320.393 1.598 20 70 DDIDLO Cc1cccc2[nH]c(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)nc21 ZINC000160523497 408492310 /nfs/dbraw/zinc/49/23/10/408492310.db2.gz UINQJCSRNNVOOQ-GFCCVEGCSA-N 1 2 309.373 1.947 20 70 DDIDLO Cc1cccc2nc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[nH]c21 ZINC000160523497 408492316 /nfs/dbraw/zinc/49/23/16/408492316.db2.gz UINQJCSRNNVOOQ-GFCCVEGCSA-N 1 2 309.373 1.947 20 70 DDIDLO CCN(Cc1c[nH+]c2c(C)cccn12)[C@H]1CCS(=O)(=O)C1 ZINC000160567620 408498352 /nfs/dbraw/zinc/49/83/52/408498352.db2.gz JCNCPLROOJVNON-ZDUSSCGKSA-N 1 2 307.419 1.652 20 70 DDIDLO CCn1ccnc1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000160724655 408517872 /nfs/dbraw/zinc/51/78/72/408517872.db2.gz BRKSUEUPSUPDLC-UHFFFAOYSA-N 1 2 319.453 1.033 20 70 DDIDLO CCOC(=O)C[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000160726565 408517962 /nfs/dbraw/zinc/51/79/62/408517962.db2.gz REAOYUXDSXBGNT-NSHDSACASA-N 1 2 310.419 1.564 20 70 DDIDLO CCOC(=O)C[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000160726565 408517965 /nfs/dbraw/zinc/51/79/65/408517965.db2.gz REAOYUXDSXBGNT-NSHDSACASA-N 1 2 310.419 1.564 20 70 DDIDLO COc1cccc(Cl)c1CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000160787011 408524442 /nfs/dbraw/zinc/52/44/42/408524442.db2.gz YTICXTVRMILQJV-GFCCVEGCSA-N 1 2 323.824 1.007 20 70 DDIDLO COc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1OC(F)F ZINC000160341703 408472509 /nfs/dbraw/zinc/47/25/09/408472509.db2.gz PLJVCVYLVWYJSU-JTQLQIEISA-N 1 2 300.305 1.746 20 70 DDIDLO COc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1OC(F)F ZINC000160341703 408472514 /nfs/dbraw/zinc/47/25/14/408472514.db2.gz PLJVCVYLVWYJSU-JTQLQIEISA-N 1 2 300.305 1.746 20 70 DDIDLO C[C@H](NC(=O)N(C)Cc1cccn1C)[C@H](C)[NH+]1CCOCC1 ZINC000161114621 408562037 /nfs/dbraw/zinc/56/20/37/408562037.db2.gz JNPBAHVJDIGGCV-KBPBESRZSA-N 1 2 308.426 1.276 20 70 DDIDLO O=C(CC1CCCC1)NCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161120856 408562168 /nfs/dbraw/zinc/56/21/68/408562168.db2.gz PWVBVEZWURVUIN-CQSZACIVSA-N 1 2 318.421 1.258 20 70 DDIDLO CCOc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000160959857 408544348 /nfs/dbraw/zinc/54/43/48/408544348.db2.gz GSCCIHZUGFNTQX-QGZVFWFLSA-N 1 2 318.417 1.909 20 70 DDIDLO CCc1ncsc1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000160958674 197453229 /nfs/dbraw/zinc/45/32/29/197453229.db2.gz CUKNESHKAMNRJQ-JTQLQIEISA-N 1 2 324.475 1.955 20 70 DDIDLO CCNC(=O)C[N@H+](CC)Cc1cc(OC)c(OC)cc1OC ZINC000160128032 197387773 /nfs/dbraw/zinc/38/77/73/197387773.db2.gz LUUQIKAWORHROF-UHFFFAOYSA-N 1 2 310.394 1.670 20 70 DDIDLO CCNC(=O)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1OC ZINC000160128032 197387774 /nfs/dbraw/zinc/38/77/74/197387774.db2.gz LUUQIKAWORHROF-UHFFFAOYSA-N 1 2 310.394 1.670 20 70 DDIDLO CC[N@H+](Cc1c(C)nc2ccccn21)[C@H](C)CS(C)(=O)=O ZINC000160386092 285092149 /nfs/dbraw/zinc/09/21/49/285092149.db2.gz ODRUVUNDXBMSPZ-GFCCVEGCSA-N 1 2 309.435 1.898 20 70 DDIDLO CC[N@@H+](Cc1c(C)nc2ccccn21)[C@H](C)CS(C)(=O)=O ZINC000160386092 285092151 /nfs/dbraw/zinc/09/21/51/285092151.db2.gz ODRUVUNDXBMSPZ-GFCCVEGCSA-N 1 2 309.435 1.898 20 70 DDIDLO CCN(Cc1c(C)[nH+]c2ccccn21)[C@H](C)CS(C)(=O)=O ZINC000160386092 285092154 /nfs/dbraw/zinc/09/21/54/285092154.db2.gz ODRUVUNDXBMSPZ-GFCCVEGCSA-N 1 2 309.435 1.898 20 70 DDIDLO Cc1sc2[nH]c(C[N@@H+]3CC[C@@H](O)[C@H](C)C3)nc(=O)c2c1C ZINC000159429759 408408255 /nfs/dbraw/zinc/40/82/55/408408255.db2.gz CRQLBTKCZOXSSK-LDYMZIIASA-N 1 2 307.419 1.804 20 70 DDIDLO Cc1sc2[nH]c(C[N@H+]3CC[C@@H](O)[C@H](C)C3)nc(=O)c2c1C ZINC000159429759 408408259 /nfs/dbraw/zinc/40/82/59/408408259.db2.gz CRQLBTKCZOXSSK-LDYMZIIASA-N 1 2 307.419 1.804 20 70 DDIDLO O=C(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)N1CCOCC1 ZINC000159615433 408421874 /nfs/dbraw/zinc/42/18/74/408421874.db2.gz DGNAHADXWZQNHC-SFHVURJKSA-N 1 2 316.401 1.019 20 70 DDIDLO O=C(C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)N1CCOCC1 ZINC000159615433 408421882 /nfs/dbraw/zinc/42/18/82/408421882.db2.gz DGNAHADXWZQNHC-SFHVURJKSA-N 1 2 316.401 1.019 20 70 DDIDLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159642802 408422801 /nfs/dbraw/zinc/42/28/01/408422801.db2.gz JHTUWNSHUVRJEB-GJZGRUSLSA-N 1 2 315.421 1.872 20 70 DDIDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159642802 408422804 /nfs/dbraw/zinc/42/28/04/408422804.db2.gz JHTUWNSHUVRJEB-GJZGRUSLSA-N 1 2 315.421 1.872 20 70 DDIDLO CC1CC[NH+](CCNC(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000160462825 408487714 /nfs/dbraw/zinc/48/77/14/408487714.db2.gz XKBCWFVQDSLRCG-UHFFFAOYSA-N 1 2 304.456 1.048 20 70 DDIDLO Cn1c(=O)cccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000160565546 408497628 /nfs/dbraw/zinc/49/76/28/408497628.db2.gz JYQBVQFCOYYIHQ-UHFFFAOYSA-N 1 2 312.304 1.962 20 70 DDIDLO C[C@]1(c2ccccc2)CN(C(=O)NCCn2cc[nH+]c2)CCO1 ZINC000160195086 408463626 /nfs/dbraw/zinc/46/36/26/408463626.db2.gz HULCXPSIZKVZCM-QGZVFWFLSA-N 1 2 314.389 1.840 20 70 DDIDLO CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1nccs1 ZINC000161080990 408556780 /nfs/dbraw/zinc/55/67/80/408556780.db2.gz DIHWHINICVQZDZ-RYUDHWBXSA-N 1 2 305.407 1.723 20 70 DDIDLO CC1CCN(C(=O)CN2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000161156087 408566838 /nfs/dbraw/zinc/56/68/38/408566838.db2.gz IYHOLRWOHFWEPL-UHFFFAOYSA-N 1 2 316.449 1.458 20 70 DDIDLO CC1CCN(C(=O)C[NH+]2CCN(Cc3ccncc3)CC2)CC1 ZINC000161156087 408566845 /nfs/dbraw/zinc/56/68/45/408566845.db2.gz IYHOLRWOHFWEPL-UHFFFAOYSA-N 1 2 316.449 1.458 20 70 DDIDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2nncn2C)CC1 ZINC000160788122 290777018 /nfs/dbraw/zinc/77/70/18/290777018.db2.gz VYMPDAPUGNTSGO-UHFFFAOYSA-N 1 2 313.405 1.518 20 70 DDIDLO Cc1noc([C@H]2COCCN2Cc2c(C)[nH+]c3ccccn32)n1 ZINC000161153965 290781970 /nfs/dbraw/zinc/78/19/70/290781970.db2.gz BTKMNWZFRRVUBL-CQSZACIVSA-N 1 2 313.361 1.908 20 70 DDIDLO CCCOC(=O)[C@H](C)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000159713199 186136772 /nfs/dbraw/zinc/13/67/72/186136772.db2.gz LXHOYJOLEGNJLV-ZDUSSCGKSA-N 1 2 309.410 1.751 20 70 DDIDLO CCC[C@H](CCc1ccccc1)NC(=O)CN1CC[NH2+]CC1=O ZINC000160939528 354241478 /nfs/dbraw/zinc/24/14/78/354241478.db2.gz JMCRULBAYFFPES-MRXNPFEDSA-N 1 2 317.433 1.336 20 70 DDIDLO O=C(CSCC[NH+]1CCOCC1)NCc1cccs1 ZINC000160005033 197379589 /nfs/dbraw/zinc/37/95/89/197379589.db2.gz NUOQMRIBCHZDEG-UHFFFAOYSA-N 1 2 300.449 1.430 20 70 DDIDLO O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159564329 162148248 /nfs/dbraw/zinc/14/82/48/162148248.db2.gz QORSBJZZXUGJST-CQSZACIVSA-N 1 2 322.372 1.724 20 70 DDIDLO CC[N@@H+]1CCO[C@@H](C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000160419236 408481662 /nfs/dbraw/zinc/48/16/62/408481662.db2.gz PAWSOMMJKHERET-CYBMUJFWSA-N 1 2 302.378 1.208 20 70 DDIDLO CC[N@H+]1CCO[C@@H](C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000160419236 408481667 /nfs/dbraw/zinc/48/16/67/408481667.db2.gz PAWSOMMJKHERET-CYBMUJFWSA-N 1 2 302.378 1.208 20 70 DDIDLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@@H](O)Cc1ccccc1 ZINC000160962437 408545755 /nfs/dbraw/zinc/54/57/55/408545755.db2.gz BPXSYSQWXDLEEE-HIFRSBDPSA-N 1 2 302.378 1.174 20 70 DDIDLO CCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161106643 408561538 /nfs/dbraw/zinc/56/15/38/408561538.db2.gz AUBDMXJYZOXACV-LBPRGKRZSA-N 1 2 314.407 1.200 20 70 DDIDLO CCC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161106643 408561542 /nfs/dbraw/zinc/56/15/42/408561542.db2.gz AUBDMXJYZOXACV-LBPRGKRZSA-N 1 2 314.407 1.200 20 70 DDIDLO Cc1sc2[nH]c(C[NH+]3CCC(C)(O)CC3)nc(=O)c2c1C ZINC000160864679 408532795 /nfs/dbraw/zinc/53/27/95/408532795.db2.gz IKVGGTFVKFBWOY-UHFFFAOYSA-N 1 2 307.419 1.948 20 70 DDIDLO CCn1cc[nH+]c1CN1CCN(C(=O)CC(F)(F)F)CC1 ZINC000160872677 408533519 /nfs/dbraw/zinc/53/35/19/408533519.db2.gz TYWWOYYBHXYKGG-UHFFFAOYSA-N 1 2 304.316 1.500 20 70 DDIDLO CC[C@H](Cc1ccccc1)N(CC)C(=O)CN1CC[NH2+]CC1=O ZINC000161437695 408603234 /nfs/dbraw/zinc/60/32/34/408603234.db2.gz WKHCHAGHFCEOFK-MRXNPFEDSA-N 1 2 317.433 1.288 20 70 DDIDLO CCc1ccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000160767784 290776246 /nfs/dbraw/zinc/77/62/46/290776246.db2.gz VOQZCOLDTANHEO-UHFFFAOYSA-N 1 2 312.417 1.941 20 70 DDIDLO O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@H]1CCn2cc[nH+]c2C1 ZINC000160155239 284333616 /nfs/dbraw/zinc/33/36/16/284333616.db2.gz ZLMIRFBXOZWJTN-JTQLQIEISA-N 1 2 312.329 1.415 20 70 DDIDLO COCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000160988596 197454802 /nfs/dbraw/zinc/45/48/02/197454802.db2.gz UAANKKKAXPEIFD-KRWDZBQOSA-N 1 2 318.417 1.656 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160594989 197424948 /nfs/dbraw/zinc/42/49/48/197424948.db2.gz NNTTVPCLNOARNN-MRVWCRGKSA-N 1 2 324.371 1.905 20 70 DDIDLO CCOC(=O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000159524945 408414618 /nfs/dbraw/zinc/41/46/18/408414618.db2.gz KJIVIKXIBXLZAJ-UHFFFAOYSA-N 1 2 305.378 1.604 20 70 DDIDLO O=C1[C@H]([N@@H+]2CCC3(C2)OCCO3)CCCN1c1ccccc1 ZINC000160694291 408512846 /nfs/dbraw/zinc/51/28/46/408512846.db2.gz AYADIHHXCUXQJW-OAHLLOKOSA-N 1 2 302.374 1.631 20 70 DDIDLO O=C1[C@H]([N@H+]2CCC3(C2)OCCO3)CCCN1c1ccccc1 ZINC000160694291 408512851 /nfs/dbraw/zinc/51/28/51/408512851.db2.gz AYADIHHXCUXQJW-OAHLLOKOSA-N 1 2 302.374 1.631 20 70 DDIDLO COc1cccc2c1CC[C@@H]2NC(=O)NCCn1cc[nH+]c1 ZINC000160281555 408468818 /nfs/dbraw/zinc/46/88/18/408468818.db2.gz UDMIBTJEHQVMLW-AWEZNQCLSA-N 1 2 300.362 1.878 20 70 DDIDLO O=C(N[C@H]1CCc2ncnn2C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000161069705 408556320 /nfs/dbraw/zinc/55/63/20/408556320.db2.gz NEOJLKCVVNHHBB-RYUDHWBXSA-N 1 2 315.381 1.253 20 70 DDIDLO O=C(/C=C/C1CCOCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161316357 408586267 /nfs/dbraw/zinc/58/62/67/408586267.db2.gz SHCCXUCELFDMPH-RGDDUWESSA-N 1 2 301.390 1.759 20 70 DDIDLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)[C@H](O)Cc1ccccc1 ZINC000160955531 408541724 /nfs/dbraw/zinc/54/17/24/408541724.db2.gz ALBMESAVNNNHPY-GOEBONIOSA-N 1 2 316.405 1.565 20 70 DDIDLO C[C@@H](NC(=O)N(C)Cc1cccn1C)[C@H](C)[NH+]1CCOCC1 ZINC000161114705 525150980 /nfs/dbraw/zinc/15/09/80/525150980.db2.gz JNPBAHVJDIGGCV-KGLIPLIRSA-N 1 2 308.426 1.276 20 70 DDIDLO CCn1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000160361018 536088646 /nfs/dbraw/zinc/08/86/46/536088646.db2.gz KJPOLEIOYUCOLH-LBPRGKRZSA-N 1 2 300.366 1.698 20 70 DDIDLO CC(C)CCn1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000160100982 197385294 /nfs/dbraw/zinc/38/52/94/197385294.db2.gz UHJBPRFJIUASFZ-CYBMUJFWSA-N 1 2 309.414 1.381 20 70 DDIDLO CC(C)CCn1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000160100982 197385296 /nfs/dbraw/zinc/38/52/96/197385296.db2.gz UHJBPRFJIUASFZ-CYBMUJFWSA-N 1 2 309.414 1.381 20 70 DDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NCc1cccs1 ZINC000159873610 197370014 /nfs/dbraw/zinc/37/00/14/197370014.db2.gz WAAVWQOVXZYKHA-GFCCVEGCSA-N 1 2 314.476 1.818 20 70 DDIDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(N)nc(N(C)C)n2)c1 ZINC000159848905 197368324 /nfs/dbraw/zinc/36/83/24/197368324.db2.gz GYOQIFXGWNNGKF-UHFFFAOYSA-N 1 2 315.425 1.218 20 70 DDIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(N)nc(N(C)C)n2)c1 ZINC000159848905 197368326 /nfs/dbraw/zinc/36/83/26/197368326.db2.gz GYOQIFXGWNNGKF-UHFFFAOYSA-N 1 2 315.425 1.218 20 70 DDIDLO C[N@@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C[C@H]1CCC[C@@H]1O ZINC000159545765 408416374 /nfs/dbraw/zinc/41/63/74/408416374.db2.gz ILOUAXGGXLEYOZ-YPMHNXCESA-N 1 2 323.418 1.101 20 70 DDIDLO C[N@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C[C@H]1CCC[C@@H]1O ZINC000159545765 408416377 /nfs/dbraw/zinc/41/63/77/408416377.db2.gz ILOUAXGGXLEYOZ-YPMHNXCESA-N 1 2 323.418 1.101 20 70 DDIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CC)CC2)s1 ZINC000159584703 408419088 /nfs/dbraw/zinc/41/90/88/408419088.db2.gz PIQFDGCBQJGOND-UHFFFAOYSA-N 1 2 302.465 1.778 20 70 DDIDLO CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000160501910 408489558 /nfs/dbraw/zinc/48/95/58/408489558.db2.gz HSAAQEJYWMBTQS-JTQLQIEISA-N 1 2 314.817 1.086 20 70 DDIDLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160678447 408512966 /nfs/dbraw/zinc/51/29/66/408512966.db2.gz CFWFORMJTJNBOS-NSHDSACASA-N 1 2 302.334 1.641 20 70 DDIDLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC2(C1)OCCO2 ZINC000160678447 408512969 /nfs/dbraw/zinc/51/29/69/408512969.db2.gz CFWFORMJTJNBOS-NSHDSACASA-N 1 2 302.334 1.641 20 70 DDIDLO CCS(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160355933 408476438 /nfs/dbraw/zinc/47/64/38/408476438.db2.gz JKPFWPMBRFLZEG-UHFFFAOYSA-N 1 2 311.451 1.090 20 70 DDIDLO CC(C)[C@H](C)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161177321 408568600 /nfs/dbraw/zinc/56/86/00/408568600.db2.gz HWZGQQWPOHXLSZ-HNNXBMFYSA-N 1 2 304.438 1.360 20 70 DDIDLO Cn1cccc1C(=O)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000160147280 539219466 /nfs/dbraw/zinc/21/94/66/539219466.db2.gz PZMRQMMJKSOFDM-UHFFFAOYSA-N 1 2 309.373 1.864 20 70 DDIDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159678795 186135067 /nfs/dbraw/zinc/13/50/67/186135067.db2.gz XSEGSZYEDILXQL-ZBFHGGJFSA-N 1 2 304.390 1.921 20 70 DDIDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159678795 186135068 /nfs/dbraw/zinc/13/50/68/186135068.db2.gz XSEGSZYEDILXQL-ZBFHGGJFSA-N 1 2 304.390 1.921 20 70 DDIDLO CN(Cc1[nH+]ccn1C)C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000159814255 197366362 /nfs/dbraw/zinc/36/63/62/197366362.db2.gz CZJJWUMWBYTWJW-UHFFFAOYSA-N 1 2 308.382 1.436 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1c(C)oc2ccccc21 ZINC000159814104 197366367 /nfs/dbraw/zinc/36/63/67/197366367.db2.gz NSTMUSJGQTYCGB-CQSZACIVSA-N 1 2 316.357 1.605 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1c(C)oc2ccccc21 ZINC000159814104 197366369 /nfs/dbraw/zinc/36/63/69/197366369.db2.gz NSTMUSJGQTYCGB-CQSZACIVSA-N 1 2 316.357 1.605 20 70 DDIDLO CC[N@H+](CC(=O)NCc1ccc(OC)cc1)Cc1cnn(C)c1 ZINC000161078692 408557329 /nfs/dbraw/zinc/55/73/29/408557329.db2.gz GXQIJABTFRXSLG-UHFFFAOYSA-N 1 2 316.405 1.567 20 70 DDIDLO CC[N@@H+](CC(=O)NCc1ccc(OC)cc1)Cc1cnn(C)c1 ZINC000161078692 408557332 /nfs/dbraw/zinc/55/73/32/408557332.db2.gz GXQIJABTFRXSLG-UHFFFAOYSA-N 1 2 316.405 1.567 20 70 DDIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000161105965 408561482 /nfs/dbraw/zinc/56/14/82/408561482.db2.gz PJNGUNATXWOQQG-CYBMUJFWSA-N 1 2 318.421 1.029 20 70 DDIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000161105965 408561487 /nfs/dbraw/zinc/56/14/87/408561487.db2.gz PJNGUNATXWOQQG-CYBMUJFWSA-N 1 2 318.421 1.029 20 70 DDIDLO CN1CC[C@@H]([NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000161276291 408581830 /nfs/dbraw/zinc/58/18/30/408581830.db2.gz PFILHDUKHAVJAV-HZPDHXFCSA-N 1 2 315.417 1.561 20 70 DDIDLO CCN(Cc1c[nH+]c2cc(C)ccn12)[C@@H]1CCS(=O)(=O)C1 ZINC000160553605 290773792 /nfs/dbraw/zinc/77/37/92/290773792.db2.gz ULCXSUZRPFHFNI-CYBMUJFWSA-N 1 2 307.419 1.652 20 70 DDIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159866469 197369636 /nfs/dbraw/zinc/36/96/36/197369636.db2.gz LFEBSSPPPBSUSP-UHFFFAOYSA-N 1 2 315.348 1.472 20 70 DDIDLO Cc1cnn(Cc2cc(C(=O)N(C)Cc3[nH+]ccn3C)no2)c1 ZINC000159801229 197365564 /nfs/dbraw/zinc/36/55/64/197365564.db2.gz HXTRJQKPWKUFTE-UHFFFAOYSA-N 1 2 314.349 1.234 20 70 DDIDLO Cc1cc(NC(=O)[C@@H]2CCCO2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000160507862 291959698 /nfs/dbraw/zinc/95/96/98/291959698.db2.gz SQGYILMGUZLKGN-LBPRGKRZSA-N 1 2 301.350 1.705 20 70 DDIDLO C[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[NH+]1CCN(C)CC1 ZINC000159579265 408420005 /nfs/dbraw/zinc/42/00/05/408420005.db2.gz WZSUMXDETZSOSD-AWEZNQCLSA-N 1 2 314.433 1.463 20 70 DDIDLO O=C(NC[C@H](O)c1cccc(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160747985 408519549 /nfs/dbraw/zinc/51/95/49/408519549.db2.gz BTFUJHQODABNAB-JSGCOSHPSA-N 1 2 303.337 1.434 20 70 DDIDLO C[C@H](CNS(=O)(=O)CC1CCCCC1)C[NH+]1CCOCC1 ZINC000160379288 408475174 /nfs/dbraw/zinc/47/51/74/408475174.db2.gz OZBFHLQPAUFCHH-CQSZACIVSA-N 1 2 318.483 1.454 20 70 DDIDLO CCCn1[nH]cc/c1=N\C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161028548 408552111 /nfs/dbraw/zinc/55/21/11/408552111.db2.gz UQMUQEMZCKGZMB-KCSFTRPASA-N 1 2 320.437 1.281 20 70 DDIDLO CCCn1[nH]cc/c1=N\C(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161028548 408552114 /nfs/dbraw/zinc/55/21/14/408552114.db2.gz UQMUQEMZCKGZMB-KCSFTRPASA-N 1 2 320.437 1.281 20 70 DDIDLO CCCn1[nH]cc/c1=N\C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161028404 408552505 /nfs/dbraw/zinc/55/25/05/408552505.db2.gz UQMUQEMZCKGZMB-YRRFLZGXSA-N 1 2 320.437 1.281 20 70 DDIDLO CCCn1[nH]cc/c1=N\C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161028404 408552511 /nfs/dbraw/zinc/55/25/11/408552511.db2.gz UQMUQEMZCKGZMB-YRRFLZGXSA-N 1 2 320.437 1.281 20 70 DDIDLO CCC(=O)N1CC[C@H](C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000161142544 408564363 /nfs/dbraw/zinc/56/43/63/408564363.db2.gz XXJBITLKEYRMCA-STQMWFEESA-N 1 2 304.394 1.722 20 70 DDIDLO CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161159303 408565666 /nfs/dbraw/zinc/56/56/66/408565666.db2.gz JNVLVEOWROTUCQ-QWHCGFSZSA-N 1 2 316.323 1.949 20 70 DDIDLO CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161159303 408565671 /nfs/dbraw/zinc/56/56/71/408565671.db2.gz JNVLVEOWROTUCQ-QWHCGFSZSA-N 1 2 316.323 1.949 20 70 DDIDLO COC(=O)c1sccc1NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161224468 408577655 /nfs/dbraw/zinc/57/76/55/408577655.db2.gz MJRBWXFKMDBLCS-UHFFFAOYSA-N 1 2 312.391 1.320 20 70 DDIDLO CN1CC[C@H]([NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)C1=O ZINC000161275918 408582587 /nfs/dbraw/zinc/58/25/87/408582587.db2.gz PFILHDUKHAVJAV-HOTGVXAUSA-N 1 2 315.417 1.561 20 70 DDIDLO CC[N@H+](Cc1ccccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000160530531 279239947 /nfs/dbraw/zinc/23/99/47/279239947.db2.gz RCKFNMIQHVPWHT-CYBMUJFWSA-N 1 2 311.403 1.482 20 70 DDIDLO CC[N@@H+](Cc1ccccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000160530531 279239949 /nfs/dbraw/zinc/23/99/49/279239949.db2.gz RCKFNMIQHVPWHT-CYBMUJFWSA-N 1 2 311.403 1.482 20 70 DDIDLO C[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H]1n1cc[nH+]c1 ZINC000160807821 484069893 /nfs/dbraw/zinc/06/98/93/484069893.db2.gz UETSJLGDTLTYGL-DOMZBBRYSA-N 1 2 324.388 1.888 20 70 DDIDLO CS(=O)(=O)CCCCN1CC[NH+](Cc2cccs2)CC1 ZINC000161237686 539220970 /nfs/dbraw/zinc/22/09/70/539220970.db2.gz LHWDCBAYGZCSOQ-UHFFFAOYSA-N 1 2 316.492 1.691 20 70 DDIDLO C[C@H](C[NH+]1CCCCC1)NC(=O)CS(=O)(=O)C(C)(C)C ZINC000160266765 290769178 /nfs/dbraw/zinc/76/91/78/290769178.db2.gz MBCWBUMGMRWKAN-GFCCVEGCSA-N 1 2 304.456 1.190 20 70 DDIDLO Cn1cnnc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160695394 290775310 /nfs/dbraw/zinc/77/53/10/290775310.db2.gz HQKOYBCMPUFMIW-UHFFFAOYSA-N 1 2 305.813 1.786 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000159840871 197368210 /nfs/dbraw/zinc/36/82/10/197368210.db2.gz XZXQWJXMZVKEOT-AWEZNQCLSA-N 1 2 301.346 1.031 20 70 DDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000159840871 197368211 /nfs/dbraw/zinc/36/82/11/197368211.db2.gz XZXQWJXMZVKEOT-AWEZNQCLSA-N 1 2 301.346 1.031 20 70 DDIDLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1[nH+]ccn1C ZINC000160727353 408517844 /nfs/dbraw/zinc/51/78/44/408517844.db2.gz KRIKUSSCKVKSSH-SNVBAGLBSA-N 1 2 306.391 1.019 20 70 DDIDLO COCCC1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000161027086 408551906 /nfs/dbraw/zinc/55/19/06/408551906.db2.gz OLKNYILIXABAKK-CQSZACIVSA-N 1 2 306.410 1.874 20 70 DDIDLO C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161191130 408571375 /nfs/dbraw/zinc/57/13/75/408571375.db2.gz JWUBZTJUMJPPOI-GFCCVEGCSA-N 1 2 321.402 1.040 20 70 DDIDLO CCCN(CCC)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161210517 408574906 /nfs/dbraw/zinc/57/49/06/408574906.db2.gz RAVYOSYWEOBRDS-UHFFFAOYSA-N 1 2 318.465 1.848 20 70 DDIDLO CCCN(CCC)C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161210517 408574911 /nfs/dbraw/zinc/57/49/11/408574911.db2.gz RAVYOSYWEOBRDS-UHFFFAOYSA-N 1 2 318.465 1.848 20 70 DDIDLO Cc1ccc(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161338007 408589597 /nfs/dbraw/zinc/58/95/97/408589597.db2.gz VIFZFMGLELAQRJ-HNNXBMFYSA-N 1 2 309.369 1.968 20 70 DDIDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC(C)(C)O1 ZINC000159669302 288248620 /nfs/dbraw/zinc/24/86/20/288248620.db2.gz DGLRUAOYLIDEQW-TZMCWYRMSA-N 1 2 306.410 1.415 20 70 DDIDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC(C)(C)O1 ZINC000159669302 288248621 /nfs/dbraw/zinc/24/86/21/288248621.db2.gz DGLRUAOYLIDEQW-TZMCWYRMSA-N 1 2 306.410 1.415 20 70 DDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N1CCCCCC1 ZINC000159920341 290764310 /nfs/dbraw/zinc/76/43/10/290764310.db2.gz AAMWIWZTBLUGEA-CQSZACIVSA-N 1 2 300.468 1.843 20 70 DDIDLO CCCCS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159468908 408410715 /nfs/dbraw/zinc/41/07/15/408410715.db2.gz QHJIDMKVJBUPKN-UHFFFAOYSA-N 1 2 306.472 1.407 20 70 DDIDLO COc1c(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c(C)nn1C ZINC000159741610 408430963 /nfs/dbraw/zinc/43/09/63/408430963.db2.gz KWVIRGZKNVKUIS-ZDUSSCGKSA-N 1 2 306.341 1.192 20 70 DDIDLO C[C@@H]1CCC[N@H+](CCNC(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000160499574 408488139 /nfs/dbraw/zinc/48/81/39/408488139.db2.gz QZJHHJKMOFJALJ-GFCCVEGCSA-N 1 2 304.456 1.048 20 70 DDIDLO C[C@@H]1CCC[N@@H+](CCNC(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000160499574 408488144 /nfs/dbraw/zinc/48/81/44/408488144.db2.gz QZJHHJKMOFJALJ-GFCCVEGCSA-N 1 2 304.456 1.048 20 70 DDIDLO CCOCCO[C@H]1CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000160777018 408521446 /nfs/dbraw/zinc/52/14/46/408521446.db2.gz ZNKHCPVPJZCOPI-ZDUSSCGKSA-N 1 2 323.441 1.693 20 70 DDIDLO CCOCCO[C@H]1CCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000160777018 408521453 /nfs/dbraw/zinc/52/14/53/408521453.db2.gz ZNKHCPVPJZCOPI-ZDUSSCGKSA-N 1 2 323.441 1.693 20 70 DDIDLO O=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)NC1CCCCC1 ZINC000160990792 408547159 /nfs/dbraw/zinc/54/71/59/408547159.db2.gz DKUODULTCXNIEB-GFCCVEGCSA-N 1 2 304.394 1.011 20 70 DDIDLO CC[N@@H+]1CCC[C@H](NC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000160988135 408547354 /nfs/dbraw/zinc/54/73/54/408547354.db2.gz ZLZNDZZTYPQQBX-NSHDSACASA-N 1 2 316.448 1.366 20 70 DDIDLO CC[N@H+]1CCC[C@H](NC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000160988135 408547359 /nfs/dbraw/zinc/54/73/59/408547359.db2.gz ZLZNDZZTYPQQBX-NSHDSACASA-N 1 2 316.448 1.366 20 70 DDIDLO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161030411 408552427 /nfs/dbraw/zinc/55/24/27/408552427.db2.gz BBGHGVDKWXKBSM-ZFWWWQNUSA-N 1 2 304.394 1.086 20 70 DDIDLO CCC[N@H+](Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000161085949 408559408 /nfs/dbraw/zinc/55/94/08/408559408.db2.gz CERHZCVYRONZRR-ZDUSSCGKSA-N 1 2 311.403 1.814 20 70 DDIDLO CCC[N@@H+](Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000161085949 408559411 /nfs/dbraw/zinc/55/94/11/408559411.db2.gz CERHZCVYRONZRR-ZDUSSCGKSA-N 1 2 311.403 1.814 20 70 DDIDLO CCCCCCNC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161228984 408575780 /nfs/dbraw/zinc/57/57/80/408575780.db2.gz SQVORWCDVMFLGY-UHFFFAOYSA-N 1 2 318.465 1.896 20 70 DDIDLO COCc1ccc([C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC000161237146 408576660 /nfs/dbraw/zinc/57/66/60/408576660.db2.gz HQROITQYIRBMFU-UKRRQHHQSA-N 1 2 308.378 1.420 20 70 DDIDLO COCc1ccc([C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC000161237146 408576661 /nfs/dbraw/zinc/57/66/61/408576661.db2.gz HQROITQYIRBMFU-UKRRQHHQSA-N 1 2 308.378 1.420 20 70 DDIDLO C[C@]1(O)CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000160904931 408538283 /nfs/dbraw/zinc/53/82/83/408538283.db2.gz VPYJHQNEXZVKBM-KRWDZBQOSA-N 1 2 314.389 1.929 20 70 DDIDLO CN(Cc1ccccc1)C(=O)CSCC[NH+]1CCOCC1 ZINC000159850224 197369440 /nfs/dbraw/zinc/36/94/40/197369440.db2.gz CKAVLGRUUKLGDZ-UHFFFAOYSA-N 1 2 308.447 1.710 20 70 DDIDLO O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160066826 408453803 /nfs/dbraw/zinc/45/38/03/408453803.db2.gz XTOAJCLWPAKNOK-JTQLQIEISA-N 1 2 309.333 1.264 20 70 DDIDLO O=C(Cn1cc[nH+]c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000160068847 408455046 /nfs/dbraw/zinc/45/50/46/408455046.db2.gz OEKWDBDAEDHVRS-UHFFFAOYSA-N 1 2 324.388 1.104 20 70 DDIDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000159481694 408411846 /nfs/dbraw/zinc/41/18/46/408411846.db2.gz ZSHXIXAHTKNIQE-BBRMVZONSA-N 1 2 305.397 1.735 20 70 DDIDLO C[C@@H](c1cccc(F)c1)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000159481694 408411848 /nfs/dbraw/zinc/41/18/48/408411848.db2.gz ZSHXIXAHTKNIQE-BBRMVZONSA-N 1 2 305.397 1.735 20 70 DDIDLO CC1CCC(NC(=O)CSCC[NH+]2CCOCC2)CC1 ZINC000159880144 408441099 /nfs/dbraw/zinc/44/10/99/408441099.db2.gz BPOBTSNEUGRIIJ-UHFFFAOYSA-N 1 2 300.468 1.747 20 70 DDIDLO CCOC(=O)N[C@@H]1CCC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000160865155 408531838 /nfs/dbraw/zinc/53/18/38/408531838.db2.gz GKDNSFYVRHIINK-CYBMUJFWSA-N 1 2 320.455 1.410 20 70 DDIDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000160865155 408531847 /nfs/dbraw/zinc/53/18/47/408531847.db2.gz GKDNSFYVRHIINK-CYBMUJFWSA-N 1 2 320.455 1.410 20 70 DDIDLO CS[C@H]1CCCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000161126854 408564040 /nfs/dbraw/zinc/56/40/40/408564040.db2.gz YBWYFUHBBIKNIG-ZDUSSCGKSA-N 1 2 301.456 1.246 20 70 DDIDLO COC[C@@H](O)CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000161243499 408576426 /nfs/dbraw/zinc/57/64/26/408576426.db2.gz ZKWQMIDMKRPZPF-ZDUSSCGKSA-N 1 2 303.362 1.308 20 70 DDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc2nncn2c1 ZINC000161391228 408598432 /nfs/dbraw/zinc/59/84/32/408598432.db2.gz WTBREQWYLSUKKA-ZDUSSCGKSA-N 1 2 308.345 1.133 20 70 DDIDLO C[C@@H](CNC(=O)NCc1nc(C2CC2)cs1)[NH+]1CCOCC1 ZINC000159891796 197371510 /nfs/dbraw/zinc/37/15/10/197371510.db2.gz SWQYVYCVEZPLIY-NSHDSACASA-N 1 2 324.450 1.540 20 70 DDIDLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159642941 408423158 /nfs/dbraw/zinc/42/31/58/408423158.db2.gz JHTUWNSHUVRJEB-CABCVRRESA-N 1 2 315.421 1.872 20 70 DDIDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159642941 408423164 /nfs/dbraw/zinc/42/31/64/408423164.db2.gz JHTUWNSHUVRJEB-CABCVRRESA-N 1 2 315.421 1.872 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@H](O)C3)c2c1 ZINC000160468298 408487681 /nfs/dbraw/zinc/48/76/81/408487681.db2.gz KEQQDFURVWODAN-LBPRGKRZSA-N 1 2 316.357 1.594 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@H](O)C3)c2c1 ZINC000160468298 408487684 /nfs/dbraw/zinc/48/76/84/408487684.db2.gz KEQQDFURVWODAN-LBPRGKRZSA-N 1 2 316.357 1.594 20 70 DDIDLO C[C@@H](CNS(=O)(=O)c1ccccc1F)C[NH+]1CCOCC1 ZINC000160399020 408478088 /nfs/dbraw/zinc/47/80/88/408478088.db2.gz XXBVAAUVEHEVMZ-LBPRGKRZSA-N 1 2 316.398 1.072 20 70 DDIDLO Cc1nc2ccccn2c1C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000160402187 408478599 /nfs/dbraw/zinc/47/85/99/408478599.db2.gz AQMGILPMYDBHLN-CHWSQXEVSA-N 1 2 309.435 1.896 20 70 DDIDLO Cc1nc2ccccn2c1C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000160402187 408478602 /nfs/dbraw/zinc/47/86/02/408478602.db2.gz AQMGILPMYDBHLN-CHWSQXEVSA-N 1 2 309.435 1.896 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)[C@@H]3CCOC3)c2c1 ZINC000161006262 408549131 /nfs/dbraw/zinc/54/91/31/408549131.db2.gz CMDJAPISYVRZLM-GFCCVEGCSA-N 1 2 316.357 1.858 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)[C@@H]3CCOC3)c2c1 ZINC000161006262 408549137 /nfs/dbraw/zinc/54/91/37/408549137.db2.gz CMDJAPISYVRZLM-GFCCVEGCSA-N 1 2 316.357 1.858 20 70 DDIDLO CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1nccs1 ZINC000161081103 408557009 /nfs/dbraw/zinc/55/70/09/408557009.db2.gz DIHWHINICVQZDZ-NEPJUHHUSA-N 1 2 305.407 1.723 20 70 DDIDLO CC(C)OCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161242315 408576225 /nfs/dbraw/zinc/57/62/25/408576225.db2.gz LYQGCNCTKCIHJW-UHFFFAOYSA-N 1 2 306.410 1.334 20 70 DDIDLO COCc1nc2n(n1)C[C@@H](Nc1cc[nH+]c(C(C)C)n1)CC2 ZINC000161380637 408597643 /nfs/dbraw/zinc/59/76/43/408597643.db2.gz OZCJDRNKGHTRPS-NSHDSACASA-N 1 2 302.382 1.765 20 70 DDIDLO O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161465672 408604178 /nfs/dbraw/zinc/60/41/78/408604178.db2.gz FMPDFWYMLXPVSO-HUUCEWRRSA-N 1 2 310.401 1.841 20 70 DDIDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000160867263 197445446 /nfs/dbraw/zinc/44/54/46/197445446.db2.gz KNRDNERAQBWDBZ-IAGOWNOFSA-N 1 2 318.417 1.745 20 70 DDIDLO CN(CC1CCOCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160229211 197393621 /nfs/dbraw/zinc/39/36/21/197393621.db2.gz DCIIWNPFRXVETI-OAHLLOKOSA-N 1 2 318.421 1.728 20 70 DDIDLO C[C@@H]1C[C@@H](C)CN(C(=O)CSCC[NH+]2CCOCC2)C1 ZINC000160011742 408449738 /nfs/dbraw/zinc/44/97/38/408449738.db2.gz BZPPHEVOYPRZHW-ZIAGYGMSSA-N 1 2 300.468 1.556 20 70 DDIDLO Cc1sc2[nH]c(C[N@@H+]3CC[C@H](O)[C@H](C)C3)nc(=O)c2c1C ZINC000159429624 408408624 /nfs/dbraw/zinc/40/86/24/408408624.db2.gz CRQLBTKCZOXSSK-KCJUWKMLSA-N 1 2 307.419 1.804 20 70 DDIDLO Cc1sc2[nH]c(C[N@H+]3CC[C@H](O)[C@H](C)C3)nc(=O)c2c1C ZINC000159429624 408408627 /nfs/dbraw/zinc/40/86/27/408408627.db2.gz CRQLBTKCZOXSSK-KCJUWKMLSA-N 1 2 307.419 1.804 20 70 DDIDLO C[C@H]1OCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@@H]1C ZINC000159598449 408418387 /nfs/dbraw/zinc/41/83/87/408418387.db2.gz SCGXFZAPUICSTA-CHWSQXEVSA-N 1 2 315.377 1.586 20 70 DDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)C[C@@H]21 ZINC000159704669 408428531 /nfs/dbraw/zinc/42/85/31/408428531.db2.gz ITYJPUGVSONEPG-JKSUJKDBSA-N 1 2 312.373 1.232 20 70 DDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)C[C@@H]21 ZINC000159704669 408428533 /nfs/dbraw/zinc/42/85/33/408428533.db2.gz ITYJPUGVSONEPG-JKSUJKDBSA-N 1 2 312.373 1.232 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCc1nc(C2CC2)no1 ZINC000159908402 408444378 /nfs/dbraw/zinc/44/43/78/408444378.db2.gz QPFAJGOAMLQAFX-LBPRGKRZSA-N 1 2 322.409 1.107 20 70 DDIDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@H]1c1cccs1 ZINC000160602744 408503514 /nfs/dbraw/zinc/50/35/14/408503514.db2.gz LTIPEBULFNPHGE-ZDUSSCGKSA-N 1 2 322.430 1.860 20 70 DDIDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCC[C@H]1c1cccs1 ZINC000160602744 408503519 /nfs/dbraw/zinc/50/35/19/408503519.db2.gz LTIPEBULFNPHGE-ZDUSSCGKSA-N 1 2 322.430 1.860 20 70 DDIDLO Cc1cccc(C)c1CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000160602266 408503564 /nfs/dbraw/zinc/50/35/64/408503564.db2.gz PDRMUTQWZCITIJ-MRXNPFEDSA-N 1 2 319.449 1.866 20 70 DDIDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc[nH]n3)CC2)c1 ZINC000161046928 408554910 /nfs/dbraw/zinc/55/49/10/408554910.db2.gz SOVFXFDMLDRFTL-UHFFFAOYSA-N 1 2 316.405 1.745 20 70 DDIDLO COCCC1(C(=O)N2CCC[N@H+](Cc3cscn3)CC2)CC1 ZINC000161498215 408610111 /nfs/dbraw/zinc/61/01/11/408610111.db2.gz ZOFHDSWJGOSYIB-UHFFFAOYSA-N 1 2 323.462 1.994 20 70 DDIDLO COCCC1(C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC1 ZINC000161498215 408610116 /nfs/dbraw/zinc/61/01/16/408610116.db2.gz ZOFHDSWJGOSYIB-UHFFFAOYSA-N 1 2 323.462 1.994 20 70 DDIDLO COCCN(Cc1ccc(C)o1)C(=O)NCCn1cc[nH+]c1 ZINC000160264850 197396905 /nfs/dbraw/zinc/39/69/05/197396905.db2.gz FDVHZVWMRQGTCY-UHFFFAOYSA-N 1 2 306.366 1.643 20 70 DDIDLO CN(C(=O)CSCC[NH+]1CCOCC1)c1nccs1 ZINC000159854586 197368741 /nfs/dbraw/zinc/36/87/41/197368741.db2.gz VKRHRBHEXBTCJM-UHFFFAOYSA-N 1 2 301.437 1.171 20 70 DDIDLO C[C@@]1(O)CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000160433394 162148097 /nfs/dbraw/zinc/14/80/97/162148097.db2.gz DXRWXWKTGLEOAL-QGZVFWFLSA-N 1 2 318.421 1.607 20 70 DDIDLO CCCCn1ncc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1C ZINC000159903404 408443778 /nfs/dbraw/zinc/44/37/78/408443778.db2.gz YBQYGIQDIKJVGB-UHFFFAOYSA-N 1 2 322.453 1.832 20 70 DDIDLO CC[C@@](C)(NC(=O)NCC[NH+]1CCOCC1)c1nccs1 ZINC000160794259 408525042 /nfs/dbraw/zinc/52/50/42/408525042.db2.gz JLCIBABSGUTSRE-CQSZACIVSA-N 1 2 312.439 1.400 20 70 DDIDLO Cc1c([C@@H](C)[NH2+]CC(=O)NC(C)C)nnn1-c1ccc(F)cc1 ZINC000160963716 408545206 /nfs/dbraw/zinc/54/52/06/408545206.db2.gz DJZNHZHBSARFOO-LLVKDONJSA-N 1 2 319.384 1.890 20 70 DDIDLO Cc1ccc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)nc1 ZINC000161032413 408552590 /nfs/dbraw/zinc/55/25/90/408552590.db2.gz OXEUORFHEKZYGS-UHFFFAOYSA-N 1 2 316.449 1.520 20 70 DDIDLO Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)nc1 ZINC000161032413 408552597 /nfs/dbraw/zinc/55/25/97/408552597.db2.gz OXEUORFHEKZYGS-UHFFFAOYSA-N 1 2 316.449 1.520 20 70 DDIDLO CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1nccs1 ZINC000161080719 408557095 /nfs/dbraw/zinc/55/70/95/408557095.db2.gz DIHWHINICVQZDZ-NWDGAFQWSA-N 1 2 305.407 1.723 20 70 DDIDLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161106350 408562161 /nfs/dbraw/zinc/56/21/61/408562161.db2.gz PKHNPKODYNLTGV-ZIAGYGMSSA-N 1 2 318.421 1.209 20 70 DDIDLO COC[C@@H](O)CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000161216905 408574527 /nfs/dbraw/zinc/57/45/27/408574527.db2.gz YASALFBGODPTGC-AWEZNQCLSA-N 1 2 318.377 1.606 20 70 DDIDLO CC(C)CNC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161223357 408577101 /nfs/dbraw/zinc/57/71/01/408577101.db2.gz ARJNEDDAGURZHY-HNNXBMFYSA-N 1 2 304.438 1.360 20 70 DDIDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161223357 408577105 /nfs/dbraw/zinc/57/71/05/408577105.db2.gz ARJNEDDAGURZHY-HNNXBMFYSA-N 1 2 304.438 1.360 20 70 DDIDLO CC[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(F)cc1 ZINC000161315510 408585982 /nfs/dbraw/zinc/58/59/82/408585982.db2.gz JEDKQKIHLXTZTH-HZPDHXFCSA-N 1 2 305.397 1.435 20 70 DDIDLO COCc1nc2n(n1)C[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)CC2 ZINC000161375706 408594819 /nfs/dbraw/zinc/59/48/19/408594819.db2.gz JFUSWJIFJPUTRF-NSHDSACASA-N 1 2 316.409 1.939 20 70 DDIDLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ncn1 ZINC000161496441 408607053 /nfs/dbraw/zinc/60/70/53/408607053.db2.gz DJQVOADXJCXRTJ-UHFFFAOYSA-N 1 2 307.357 1.960 20 70 DDIDLO Cc1nccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1Cl ZINC000159699510 539218922 /nfs/dbraw/zinc/21/89/22/539218922.db2.gz YIIBAKCSAUHDKE-JTQLQIEISA-N 1 2 312.801 1.886 20 70 DDIDLO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1 ZINC000159717219 186137188 /nfs/dbraw/zinc/13/71/88/186137188.db2.gz DZONGNFVVMZWHH-DOTOQJQBSA-N 1 2 305.422 1.846 20 70 DDIDLO c1ccc(-n2nnnc2CSCC[NH+]2CCOCC2)cc1 ZINC000159758176 186139683 /nfs/dbraw/zinc/13/96/83/186139683.db2.gz KMIYZZQNZIEPGG-UHFFFAOYSA-N 1 2 305.407 1.228 20 70 DDIDLO c1cn(C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)nn1 ZINC000160226321 197394048 /nfs/dbraw/zinc/39/40/48/197394048.db2.gz HSZRHWJKCQQAQS-UHFFFAOYSA-N 1 2 313.409 1.900 20 70 DDIDLO c1cn(C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)nn1 ZINC000160226321 197394050 /nfs/dbraw/zinc/39/40/50/197394050.db2.gz HSZRHWJKCQQAQS-UHFFFAOYSA-N 1 2 313.409 1.900 20 70 DDIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)Nc1ccon1 ZINC000160151519 408459973 /nfs/dbraw/zinc/45/99/73/408459973.db2.gz ACWSIOXIQPGATR-UHFFFAOYSA-N 1 2 313.317 1.088 20 70 DDIDLO C[C@@H]1OCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000159778680 408433255 /nfs/dbraw/zinc/43/32/55/408433255.db2.gz OGTISDPSDIWGEX-STQMWFEESA-N 1 2 306.410 1.581 20 70 DDIDLO COC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000159894161 408444223 /nfs/dbraw/zinc/44/42/23/408444223.db2.gz JVTGRUVCUGKALY-JTQLQIEISA-N 1 2 311.407 1.207 20 70 DDIDLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1[nH+]ccn1C ZINC000160727480 408517493 /nfs/dbraw/zinc/51/74/93/408517493.db2.gz KRIKUSSCKVKSSH-JTQLQIEISA-N 1 2 306.391 1.019 20 70 DDIDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cnn(C)c1 ZINC000161081827 408557267 /nfs/dbraw/zinc/55/72/67/408557267.db2.gz ZIEAGTZUGROKTC-UHFFFAOYSA-N 1 2 316.361 1.609 20 70 DDIDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cnn(C)c1 ZINC000161081827 408557271 /nfs/dbraw/zinc/55/72/71/408557271.db2.gz ZIEAGTZUGROKTC-UHFFFAOYSA-N 1 2 316.361 1.609 20 70 DDIDLO Cc1ocnc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161118363 408560962 /nfs/dbraw/zinc/56/09/62/408560962.db2.gz NHEPIGFEFMIDMG-UHFFFAOYSA-N 1 2 315.377 1.405 20 70 DDIDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000160865722 408532187 /nfs/dbraw/zinc/53/21/87/408532187.db2.gz ZLHJLHUXSAAIBO-LBPRGKRZSA-N 1 2 308.382 1.455 20 70 DDIDLO C[C@@]1(O)CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000160905046 408537749 /nfs/dbraw/zinc/53/77/49/408537749.db2.gz VPYJHQNEXZVKBM-QGZVFWFLSA-N 1 2 314.389 1.929 20 70 DDIDLO CC1(O)CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000161231295 278472814 /nfs/dbraw/zinc/47/28/14/278472814.db2.gz ROXINDIVYGEBQY-UHFFFAOYSA-N 1 2 306.431 1.972 20 70 DDIDLO [NH3+][C@H]1CCC[C@H](NC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000161378275 484074503 /nfs/dbraw/zinc/07/45/03/484074503.db2.gz VEHXLCOCJZOLHQ-RYUDHWBXSA-N 1 2 300.362 1.578 20 70 DDIDLO CCOC(=O)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000160355531 520880384 /nfs/dbraw/zinc/88/03/84/520880384.db2.gz CESSKXRXRBNRLV-LBPRGKRZSA-N 1 2 301.346 1.944 20 70 DDIDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000216735285 539264548 /nfs/dbraw/zinc/26/45/48/539264548.db2.gz IPUMZCZTDZNFCP-LLVKDONJSA-N 1 2 302.827 1.973 20 70 DDIDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000216735285 539264549 /nfs/dbraw/zinc/26/45/49/539264549.db2.gz IPUMZCZTDZNFCP-LLVKDONJSA-N 1 2 302.827 1.973 20 70 DDIDLO CC[C@@H](C)NC(=O)[C@@H](SCC[NH+]1CCOCC1)C(C)C ZINC000159866562 290764110 /nfs/dbraw/zinc/76/41/10/290764110.db2.gz MNTBYNQOGCPQIY-KGLIPLIRSA-N 1 2 302.484 1.991 20 70 DDIDLO Cn1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1ccccc1 ZINC000161187918 290782231 /nfs/dbraw/zinc/78/22/31/290782231.db2.gz UXYWXVJKMYLMNP-UHFFFAOYSA-N 1 2 307.375 1.364 20 70 DDIDLO O=C(NCc1ccn(-c2ccccc2)n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160162362 354238026 /nfs/dbraw/zinc/23/80/26/354238026.db2.gz XWGWWXPVETUVBQ-CQSZACIVSA-N 1 2 321.384 1.948 20 70 DDIDLO C[C@]1(O)CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000160261324 197396868 /nfs/dbraw/zinc/39/68/68/197396868.db2.gz VYLGSSYOFKHMFD-INIZCTEOSA-N 1 2 315.377 1.324 20 70 DDIDLO CCC(=O)N1CC[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000159494444 197357630 /nfs/dbraw/zinc/35/76/30/197357630.db2.gz GXTVCCKFZKEUSP-JTQLQIEISA-N 1 2 322.434 1.328 20 70 DDIDLO CCC(=O)N1CC[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000159494444 197357632 /nfs/dbraw/zinc/35/76/32/197357632.db2.gz GXTVCCKFZKEUSP-JTQLQIEISA-N 1 2 322.434 1.328 20 70 DDIDLO CCOC(=O)C[N@@H+]1CCCN(c2nc(C)nc(OC)c2C)CC1 ZINC000159405988 408404806 /nfs/dbraw/zinc/40/48/06/408404806.db2.gz JFIHGJQQJODNRR-UHFFFAOYSA-N 1 2 322.409 1.177 20 70 DDIDLO CCOC(=O)C[N@H+]1CCCN(c2nc(C)nc(OC)c2C)CC1 ZINC000159405988 408404809 /nfs/dbraw/zinc/40/48/09/408404809.db2.gz JFIHGJQQJODNRR-UHFFFAOYSA-N 1 2 322.409 1.177 20 70 DDIDLO CCC(CC)[C@H](C(=O)Nc1c[nH]c(=O)c(C)c1)[NH+]1CCOCC1 ZINC000159379864 408405870 /nfs/dbraw/zinc/40/58/70/408405870.db2.gz XCEIKGNAVLXZHT-OAHLLOKOSA-N 1 2 321.421 1.759 20 70 DDIDLO CC1(C)C[C@@H](Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCO1 ZINC000160581509 408499983 /nfs/dbraw/zinc/49/99/83/408499983.db2.gz RBNKPPKQDPHFEC-QWHCGFSZSA-N 1 2 306.410 1.807 20 70 DDIDLO CC1(C)C[C@@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCO1 ZINC000160581509 408499987 /nfs/dbraw/zinc/49/99/87/408499987.db2.gz RBNKPPKQDPHFEC-QWHCGFSZSA-N 1 2 306.410 1.807 20 70 DDIDLO CS[C@@H](C)CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000160869684 408531368 /nfs/dbraw/zinc/53/13/68/408531368.db2.gz IXKDSRXBHQQDRR-JSGCOSHPSA-N 1 2 318.508 1.452 20 70 DDIDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)Cc1c(F)cccc1F ZINC000160610383 408503753 /nfs/dbraw/zinc/50/37/53/408503753.db2.gz SPETTYAQWRUOGW-UHFFFAOYSA-N 1 2 315.345 1.660 20 70 DDIDLO CC(C)N(C[C@H](C)O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160733019 408517623 /nfs/dbraw/zinc/51/76/23/408517623.db2.gz MGFKCJYNJLDFMF-ZDUSSCGKSA-N 1 2 308.426 1.563 20 70 DDIDLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CC(=O)c2cccs2)C1 ZINC000160995584 408548339 /nfs/dbraw/zinc/54/83/39/408548339.db2.gz GZCFMPGBGJXWQV-AAEUAGOBSA-N 1 2 310.419 1.546 20 70 DDIDLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CC(=O)c2cccs2)C1 ZINC000160995584 408548341 /nfs/dbraw/zinc/54/83/41/408548341.db2.gz GZCFMPGBGJXWQV-AAEUAGOBSA-N 1 2 310.419 1.546 20 70 DDIDLO CCCc1nc(C)c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000217201924 163330688 /nfs/dbraw/zinc/33/06/88/163330688.db2.gz QPNJCMHSKZIJHL-CYBMUJFWSA-N 1 2 323.462 1.997 20 70 DDIDLO CCCc1nc(C)c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000217201924 163330690 /nfs/dbraw/zinc/33/06/90/163330690.db2.gz QPNJCMHSKZIJHL-CYBMUJFWSA-N 1 2 323.462 1.997 20 70 DDIDLO CCCc1nc(C)c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000217201931 163331974 /nfs/dbraw/zinc/33/19/74/163331974.db2.gz QPNJCMHSKZIJHL-ZDUSSCGKSA-N 1 2 323.462 1.997 20 70 DDIDLO CCCc1nc(C)c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000217201931 163331975 /nfs/dbraw/zinc/33/19/75/163331975.db2.gz QPNJCMHSKZIJHL-ZDUSSCGKSA-N 1 2 323.462 1.997 20 70 DDIDLO CC(C)(C)C(=O)Cn1cc(C(=O)Nc2cc[nH+]cc2O)nn1 ZINC000160755442 290776306 /nfs/dbraw/zinc/77/63/06/290776306.db2.gz CJXLMAHPCNGTAD-UHFFFAOYSA-N 1 2 303.322 1.246 20 70 DDIDLO C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1F)[NH+]1CCN(C)CC1 ZINC000160157076 354237261 /nfs/dbraw/zinc/23/72/61/354237261.db2.gz SQNISPVJIBGAKF-LSDHHAIUSA-N 1 2 321.440 1.756 20 70 DDIDLO Cc1ccc(C(=O)N2CCN(CCn3cc[nH+]c3)CC2)cc1F ZINC000159762118 197362293 /nfs/dbraw/zinc/36/22/93/197362293.db2.gz FKBHNOPAWOFZIT-UHFFFAOYSA-N 1 2 316.380 1.789 20 70 DDIDLO Cc1ccc(C(=O)N2CC[NH+](CCn3ccnc3)CC2)cc1F ZINC000159762118 197362295 /nfs/dbraw/zinc/36/22/95/197362295.db2.gz FKBHNOPAWOFZIT-UHFFFAOYSA-N 1 2 316.380 1.789 20 70 DDIDLO C[C@H](CNC(=O)NC[C@@]1(C)CCCS1)[NH+]1CCOCC1 ZINC000160229088 197394166 /nfs/dbraw/zinc/39/41/66/197394166.db2.gz XFJYSIDKSHGBLB-TZMCWYRMSA-N 1 2 301.456 1.292 20 70 DDIDLO COC(=O)[C@H]1C[C@@H](OC)CN1Cc1c(C)[nH+]c2ccccn21 ZINC000160466164 162149985 /nfs/dbraw/zinc/14/99/85/162149985.db2.gz YXCVYISWTSNDIW-CHWSQXEVSA-N 1 2 303.362 1.405 20 70 DDIDLO COc1cc(NCc2c[nH+]cn2C)ccc1NS(C)(=O)=O ZINC000159918937 408444856 /nfs/dbraw/zinc/44/48/56/408444856.db2.gz KTLZMAQKIZTQHG-UHFFFAOYSA-N 1 2 310.379 1.412 20 70 DDIDLO CO[C@H]1CCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160679742 408513640 /nfs/dbraw/zinc/51/36/40/408513640.db2.gz LAMAVWNBLHZTCP-GJZGRUSLSA-N 1 2 318.421 1.917 20 70 DDIDLO COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160333290 408471496 /nfs/dbraw/zinc/47/14/96/408471496.db2.gz RJQPDVOSPLSMQQ-LLVKDONJSA-N 1 2 300.305 1.746 20 70 DDIDLO COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160333290 408471498 /nfs/dbraw/zinc/47/14/98/408471498.db2.gz RJQPDVOSPLSMQQ-LLVKDONJSA-N 1 2 300.305 1.746 20 70 DDIDLO C[C@@H](CS(C)(=O)=O)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000160402866 524832416 /nfs/dbraw/zinc/83/24/16/524832416.db2.gz OKLIMAFXTVTCTH-LBPRGKRZSA-N 1 2 307.419 1.732 20 70 DDIDLO CCc1nc([C@@H](C)NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000160182918 197391528 /nfs/dbraw/zinc/39/15/28/197391528.db2.gz DNAXOYMHNYHWRG-KGYLQXTDSA-N 1 2 324.450 1.491 20 70 DDIDLO CCc1nc([C@@H](C)NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000160182918 197391530 /nfs/dbraw/zinc/39/15/30/197391530.db2.gz DNAXOYMHNYHWRG-KGYLQXTDSA-N 1 2 324.450 1.491 20 70 DDIDLO CC(=O)N1CCC(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)CC1 ZINC000159366163 197348836 /nfs/dbraw/zinc/34/88/36/197348836.db2.gz XWVTWVMOVOTELK-UHFFFAOYSA-N 1 2 320.441 1.731 20 70 DDIDLO CC(=O)N1CCC(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000159366163 197348840 /nfs/dbraw/zinc/34/88/40/197348840.db2.gz XWVTWVMOVOTELK-UHFFFAOYSA-N 1 2 320.441 1.731 20 70 DDIDLO C[C@@]1(O)CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000160452803 162149818 /nfs/dbraw/zinc/14/98/18/162149818.db2.gz SGJAELCYMAUSPQ-MRXNPFEDSA-N 1 2 306.410 1.318 20 70 DDIDLO O=C(NC[C@@H](O)c1ccsc1)C1([NH+]2CCOCC2)CCCC1 ZINC000159536874 408417542 /nfs/dbraw/zinc/41/75/42/408417542.db2.gz ATFCBAJBSYRWDA-CQSZACIVSA-N 1 2 324.446 1.543 20 70 DDIDLO CC(C)(C)c1nsc(NC[C@@](C)(O)C[NH+]2CCOCC2)n1 ZINC000159638655 408422905 /nfs/dbraw/zinc/42/29/05/408422905.db2.gz YEGGVOJVWXRZHU-CQSZACIVSA-N 1 2 314.455 1.331 20 70 DDIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc(C(N)=O)nn1 ZINC000159705745 408426527 /nfs/dbraw/zinc/42/65/27/408426527.db2.gz NSYFJZNJXKAVLF-UHFFFAOYSA-N 1 2 322.372 1.457 20 70 DDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)C[C@@H]21 ZINC000159704547 408428465 /nfs/dbraw/zinc/42/84/65/408428465.db2.gz ITYJPUGVSONEPG-HOTGVXAUSA-N 1 2 312.373 1.232 20 70 DDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccccc4)n[nH]3)C[C@@H]21 ZINC000159704547 408428470 /nfs/dbraw/zinc/42/84/70/408428470.db2.gz ITYJPUGVSONEPG-HOTGVXAUSA-N 1 2 312.373 1.232 20 70 DDIDLO Cc1cccc2[nH]c(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)nc21 ZINC000160447245 408483722 /nfs/dbraw/zinc/48/37/22/408483722.db2.gz NDGBDYCOTAPDPM-LBPRGKRZSA-N 1 2 309.373 1.947 20 70 DDIDLO Cc1cccc2nc(CNC(=O)[C@H](C)N3CC[NH+](C)CC3)[nH]c21 ZINC000160494802 408488410 /nfs/dbraw/zinc/48/84/10/408488410.db2.gz FKCFHHCGZAYRJX-ZDUSSCGKSA-N 1 2 315.421 1.123 20 70 DDIDLO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160496142 408488643 /nfs/dbraw/zinc/48/86/43/408488643.db2.gz JBYGYZPSYOLDQD-GFCCVEGCSA-N 1 2 304.456 1.190 20 70 DDIDLO C[C@@H]1CCCC[N@H+]1CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160496142 408488650 /nfs/dbraw/zinc/48/86/50/408488650.db2.gz JBYGYZPSYOLDQD-GFCCVEGCSA-N 1 2 304.456 1.190 20 70 DDIDLO CC(C)CCn1ccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000160742639 408519232 /nfs/dbraw/zinc/51/92/32/408519232.db2.gz UEGQJIAHCFUNSJ-AWEZNQCLSA-N 1 2 323.441 1.771 20 70 DDIDLO COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000160901427 408536511 /nfs/dbraw/zinc/53/65/11/408536511.db2.gz JELIBJAJACWZCA-UHFFFAOYSA-N 1 2 310.306 1.808 20 70 DDIDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@@H]1c1cccs1 ZINC000160602857 526731944 /nfs/dbraw/zinc/73/19/44/526731944.db2.gz LTIPEBULFNPHGE-CYBMUJFWSA-N 1 2 322.430 1.860 20 70 DDIDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCC[C@@H]1c1cccs1 ZINC000160602857 526731947 /nfs/dbraw/zinc/73/19/47/526731947.db2.gz LTIPEBULFNPHGE-CYBMUJFWSA-N 1 2 322.430 1.860 20 70 DDIDLO C[C@@H](CCO)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159719432 186137552 /nfs/dbraw/zinc/13/75/52/186137552.db2.gz BYDUOLJZHKZBQO-YCPHGPKFSA-N 1 2 305.422 1.577 20 70 DDIDLO C[C@@H](CCO)NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000159719432 186137553 /nfs/dbraw/zinc/13/75/53/186137553.db2.gz BYDUOLJZHKZBQO-YCPHGPKFSA-N 1 2 305.422 1.577 20 70 DDIDLO CSCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160299677 197398442 /nfs/dbraw/zinc/39/84/42/197398442.db2.gz NXZRHWCDCRVLMS-UHFFFAOYSA-N 1 2 308.451 1.662 20 70 DDIDLO CC(C)OC(=O)CCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000160120013 197387394 /nfs/dbraw/zinc/38/73/94/197387394.db2.gz RAZHVHJURATPBO-UHFFFAOYSA-N 1 2 322.409 1.961 20 70 DDIDLO CC(C)c1nc(N2CCC[C@H](n3cncn3)C2)nc(N(C)C)[nH+]1 ZINC000159520059 197360337 /nfs/dbraw/zinc/36/03/37/197360337.db2.gz IOSXNWOZVWBEKN-LBPRGKRZSA-N 1 2 316.413 1.494 20 70 DDIDLO CC(C)c1nc(N(C)C)nc(N2CCC[C@H](n3cncn3)C2)[nH+]1 ZINC000159520059 197360338 /nfs/dbraw/zinc/36/03/38/197360338.db2.gz IOSXNWOZVWBEKN-LBPRGKRZSA-N 1 2 316.413 1.494 20 70 DDIDLO Cc1nc2ccccn2c1C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000160402039 408478686 /nfs/dbraw/zinc/47/86/86/408478686.db2.gz AQMGILPMYDBHLN-QWHCGFSZSA-N 1 2 309.435 1.896 20 70 DDIDLO Cc1nc2ccccn2c1C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000160402039 408478688 /nfs/dbraw/zinc/47/86/88/408478688.db2.gz AQMGILPMYDBHLN-QWHCGFSZSA-N 1 2 309.435 1.896 20 70 DDIDLO CS(=O)(=O)CCCC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000161304320 539221222 /nfs/dbraw/zinc/22/12/22/539221222.db2.gz VKRMQPDBXMHDPH-UHFFFAOYSA-N 1 2 311.451 1.024 20 70 DDIDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCCCO1 ZINC000159894313 197371718 /nfs/dbraw/zinc/37/17/18/197371718.db2.gz VBEDFAZFKAAMDR-IRXDYDNUSA-N 1 2 318.417 1.573 20 70 DDIDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCCCO1 ZINC000159894313 197371719 /nfs/dbraw/zinc/37/17/19/197371719.db2.gz VBEDFAZFKAAMDR-IRXDYDNUSA-N 1 2 318.417 1.573 20 70 DDIDLO COc1ccc(C(C)(C)C(=O)NCCn2cc[nH+]c2)cc1OC ZINC000159789109 197364498 /nfs/dbraw/zinc/36/44/98/197364498.db2.gz WLGXCOPHCDTMKS-UHFFFAOYSA-N 1 2 317.389 1.994 20 70 DDIDLO O=C1OCC[C@H]1CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159510755 197359474 /nfs/dbraw/zinc/35/94/74/197359474.db2.gz NGQFOEDJJSEENU-HZSPNIEDSA-N 1 2 309.362 1.357 20 70 DDIDLO O=C1OCC[C@H]1CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159510755 197359476 /nfs/dbraw/zinc/35/94/76/197359476.db2.gz NGQFOEDJJSEENU-HZSPNIEDSA-N 1 2 309.362 1.357 20 70 DDIDLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000218101359 407512494 /nfs/dbraw/zinc/51/24/94/407512494.db2.gz AFUCXUOXSQRGIT-CYBMUJFWSA-N 1 2 309.435 1.912 20 70 DDIDLO Cc1cccc(OCCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000160434510 162148068 /nfs/dbraw/zinc/14/80/68/162148068.db2.gz OQABLUXWESSOPW-QGZVFWFLSA-N 1 2 318.417 1.743 20 70 DDIDLO Cc1cccc(OCCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000160434510 162148070 /nfs/dbraw/zinc/14/80/70/162148070.db2.gz OQABLUXWESSOPW-QGZVFWFLSA-N 1 2 318.417 1.743 20 70 DDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4cccs4)n[nH]3)C[C@@H]21 ZINC000159697844 408426599 /nfs/dbraw/zinc/42/65/99/408426599.db2.gz YLKFSGLVXPTYEM-STQMWFEESA-N 1 2 318.402 1.293 20 70 DDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4cccs4)n[nH]3)C[C@@H]21 ZINC000159697844 408426607 /nfs/dbraw/zinc/42/66/07/408426607.db2.gz YLKFSGLVXPTYEM-STQMWFEESA-N 1 2 318.402 1.293 20 70 DDIDLO CC(C)CN(CC(N)=O)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159715348 408426827 /nfs/dbraw/zinc/42/68/27/408426827.db2.gz SBYFVAFFAMQOTI-UHFFFAOYSA-N 1 2 300.362 1.456 20 70 DDIDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000160865872 408531718 /nfs/dbraw/zinc/53/17/18/408531718.db2.gz ZLHJLHUXSAAIBO-GFCCVEGCSA-N 1 2 308.382 1.455 20 70 DDIDLO COC(C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1)OC ZINC000160760573 408522356 /nfs/dbraw/zinc/52/23/56/408522356.db2.gz LMHNZRAOIPRVHE-UHFFFAOYSA-N 1 2 320.433 1.772 20 70 DDIDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1CCCCO1 ZINC000160338080 408474204 /nfs/dbraw/zinc/47/42/04/408474204.db2.gz XZINEXCHLSLNJI-SJORKVTESA-N 1 2 318.417 1.745 20 70 DDIDLO Cc1cccc(C)c1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000161246225 408579604 /nfs/dbraw/zinc/57/96/04/408579604.db2.gz DVJMXNCRKCCIGX-UHFFFAOYSA-N 1 2 319.405 1.033 20 70 DDIDLO C[N@H+](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)Cc1ccccc1 ZINC000161351510 408591758 /nfs/dbraw/zinc/59/17/58/408591758.db2.gz FMQAEUDSLUADNM-QGZVFWFLSA-N 1 2 324.428 1.909 20 70 DDIDLO C[N@@H+](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)Cc1ccccc1 ZINC000161351510 408591763 /nfs/dbraw/zinc/59/17/63/408591763.db2.gz FMQAEUDSLUADNM-QGZVFWFLSA-N 1 2 324.428 1.909 20 70 DDIDLO Cc1cc(C[C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)n[nH]1 ZINC000161412189 408599151 /nfs/dbraw/zinc/59/91/51/408599151.db2.gz OIEJVGLJYNCPQU-CYBMUJFWSA-N 1 2 300.406 1.897 20 70 DDIDLO CC[C@@H](O)CCNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000160956606 408541574 /nfs/dbraw/zinc/54/15/74/408541574.db2.gz ZJFVAKHQJJKPST-CQSZACIVSA-N 1 2 308.426 1.888 20 70 DDIDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161017311 277273932 /nfs/dbraw/zinc/27/39/32/277273932.db2.gz HUOTUBLWZIIGPT-CQSZACIVSA-N 1 2 320.437 1.530 20 70 DDIDLO CO[C@@H]1CCC[C@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160739703 523656889 /nfs/dbraw/zinc/65/68/89/523656889.db2.gz AMHDHXYIXNIREF-ZIAGYGMSSA-N 1 2 306.410 1.629 20 70 DDIDLO C[C@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H]1n1cc[nH+]c1 ZINC000160807947 524273879 /nfs/dbraw/zinc/27/38/79/524273879.db2.gz UETSJLGDTLTYGL-WFASDCNBSA-N 1 2 324.388 1.888 20 70 DDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc2c(s1)CCC2 ZINC000160395627 526621516 /nfs/dbraw/zinc/62/15/16/526621516.db2.gz LPMPDGHXCHNCSB-ZDUSSCGKSA-N 1 2 306.431 1.830 20 70 DDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc2c(s1)CCC2 ZINC000160395627 526621522 /nfs/dbraw/zinc/62/15/22/526621522.db2.gz LPMPDGHXCHNCSB-ZDUSSCGKSA-N 1 2 306.431 1.830 20 70 DDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000159763463 290762028 /nfs/dbraw/zinc/76/20/28/290762028.db2.gz CKQQSLUJXPNLMS-QLFBSQMISA-N 1 2 314.495 1.945 20 70 DDIDLO CCC(C)(C)NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161298760 290783245 /nfs/dbraw/zinc/78/32/45/290783245.db2.gz BHXSQVYZTHEZSX-GFCCVEGCSA-N 1 2 310.360 1.926 20 70 DDIDLO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[C@@H]1O ZINC000159717926 186137352 /nfs/dbraw/zinc/13/73/52/186137352.db2.gz SBTOKQGSHFGAHD-CJNGLKHVSA-N 1 2 316.401 1.766 20 70 DDIDLO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[C@@H]1O ZINC000159717926 186137353 /nfs/dbraw/zinc/13/73/53/186137353.db2.gz SBTOKQGSHFGAHD-CJNGLKHVSA-N 1 2 316.401 1.766 20 70 DDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NC1CCCCC1 ZINC000161152432 197469632 /nfs/dbraw/zinc/46/96/32/197469632.db2.gz RJXZICQYOSBCEH-UHFFFAOYSA-N 1 2 316.449 1.648 20 70 DDIDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCN1c1ccccc1F ZINC000159939565 408446206 /nfs/dbraw/zinc/44/62/06/408446206.db2.gz KCWZHLUEDIQXNR-HNNXBMFYSA-N 1 2 324.421 1.996 20 70 DDIDLO CS(=O)(=O)c1csc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000160487249 408490085 /nfs/dbraw/zinc/49/00/85/408490085.db2.gz ZWIJNUSHTXWGHX-UHFFFAOYSA-N 1 2 316.448 1.367 20 70 DDIDLO CCC(CC)CNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000160588808 408499886 /nfs/dbraw/zinc/49/98/86/408499886.db2.gz HOKRSUVBMOXHBR-INIZCTEOSA-N 1 2 310.486 1.844 20 70 DDIDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000160318886 408470486 /nfs/dbraw/zinc/47/04/86/408470486.db2.gz XYPWNYBLUQCLQU-LLVKDONJSA-N 1 2 300.305 1.746 20 70 DDIDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000160318886 408470491 /nfs/dbraw/zinc/47/04/91/408470491.db2.gz XYPWNYBLUQCLQU-LLVKDONJSA-N 1 2 300.305 1.746 20 70 DDIDLO C[C@H](NC(=O)NCCn1cc[nH+]c1)[C@@H](O)Cc1ccccc1 ZINC000160962320 408545796 /nfs/dbraw/zinc/54/57/96/408545796.db2.gz BPXSYSQWXDLEEE-ZFWWWQNUSA-N 1 2 302.378 1.174 20 70 DDIDLO O=C(Nc1ccc(F)c(F)c1F)N1CC[NH+](CCO)CC1 ZINC000217309162 407502174 /nfs/dbraw/zinc/50/21/74/407502174.db2.gz CRBDTROMNDVQSG-UHFFFAOYSA-N 1 2 303.284 1.246 20 70 DDIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000160075245 408453871 /nfs/dbraw/zinc/45/38/71/408453871.db2.gz MTOSZWAYHKTNAG-ZDUSSCGKSA-N 1 2 309.410 1.397 20 70 DDIDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1cccnc1 ZINC000159460850 408409995 /nfs/dbraw/zinc/40/99/95/408409995.db2.gz SEFBNQPETSWHCD-GFCCVEGCSA-N 1 2 312.373 1.640 20 70 DDIDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1cccnc1 ZINC000159460850 408409999 /nfs/dbraw/zinc/40/99/99/408409999.db2.gz SEFBNQPETSWHCD-GFCCVEGCSA-N 1 2 312.373 1.640 20 70 DDIDLO Cc1c(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cnn1C ZINC000159608085 408420150 /nfs/dbraw/zinc/42/01/50/408420150.db2.gz IDXHSCYCMWTVDT-UHFFFAOYSA-N 1 2 316.409 1.303 20 70 DDIDLO CC[N@H+](CCCNC(=O)[C@@H]1CCNC(=O)C1)c1ccccc1 ZINC000159697568 408428675 /nfs/dbraw/zinc/42/86/75/408428675.db2.gz AVZWWUYCISWYRY-CQSZACIVSA-N 1 2 303.406 1.545 20 70 DDIDLO CC[N@@H+](CCCNC(=O)[C@@H]1CCNC(=O)C1)c1ccccc1 ZINC000159697568 408428677 /nfs/dbraw/zinc/42/86/77/408428677.db2.gz AVZWWUYCISWYRY-CQSZACIVSA-N 1 2 303.406 1.545 20 70 DDIDLO Cn1c(Cl)c[nH+]c1Cn1cnc2c(cnn2C(C)(C)C)c1=O ZINC000160456855 408484333 /nfs/dbraw/zinc/48/43/33/408484333.db2.gz QGDCPJNMUIXHLT-UHFFFAOYSA-N 1 2 320.784 1.783 20 70 DDIDLO CCN(Cc1c[nH+]c2cc(C)ccn12)[C@H]1CCS(=O)(=O)C1 ZINC000160553706 408494669 /nfs/dbraw/zinc/49/46/69/408494669.db2.gz ULCXSUZRPFHFNI-ZDUSSCGKSA-N 1 2 307.419 1.652 20 70 DDIDLO Cc1cccc2[nH]c(CNC(=O)[C@H](C)[NH+]3CCSCC3)nc21 ZINC000160324491 408471685 /nfs/dbraw/zinc/47/16/85/408471685.db2.gz SGCXQKOFPLYIDO-LBPRGKRZSA-N 1 2 318.446 1.925 20 70 DDIDLO Cc1cccc2nc(CNC(=O)[C@H](C)[NH+]3CCSCC3)[nH]c21 ZINC000160324491 408471690 /nfs/dbraw/zinc/47/16/90/408471690.db2.gz SGCXQKOFPLYIDO-LBPRGKRZSA-N 1 2 318.446 1.925 20 70 DDIDLO CC[N@H+](CC(=O)NCCc1ccccc1C)Cc1cnn(C)c1 ZINC000161096852 408559562 /nfs/dbraw/zinc/55/95/62/408559562.db2.gz DIZDDNLJPAOGHH-UHFFFAOYSA-N 1 2 314.433 1.909 20 70 DDIDLO CC[N@@H+](CC(=O)NCCc1ccccc1C)Cc1cnn(C)c1 ZINC000161096852 408559566 /nfs/dbraw/zinc/55/95/66/408559566.db2.gz DIZDDNLJPAOGHH-UHFFFAOYSA-N 1 2 314.433 1.909 20 70 DDIDLO Cc1cccc(NC(=O)[C@H](C)S(=O)(=O)Cc2[nH+]ccn2C)c1 ZINC000161180913 408569834 /nfs/dbraw/zinc/56/98/34/408569834.db2.gz OYWGPEGOENLKTN-LBPRGKRZSA-N 1 2 321.402 1.671 20 70 DDIDLO Cn1c(C[NH+]2CCC(n3cncn3)CC2)nnc1-c1ccccc1 ZINC000160884625 408534982 /nfs/dbraw/zinc/53/49/82/408534982.db2.gz GHZOCNWAWCNVDP-UHFFFAOYSA-N 1 2 323.404 1.911 20 70 DDIDLO CCC(CC)NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161173582 521588247 /nfs/dbraw/zinc/58/82/47/521588247.db2.gz NHUQUAAVQWBQDK-SNVBAGLBSA-N 1 2 301.412 1.028 20 70 DDIDLO C[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccncc1 ZINC000160760536 539220408 /nfs/dbraw/zinc/22/04/08/539220408.db2.gz CJAGYALDWRIASN-RDJZCZTQSA-N 1 2 317.433 1.898 20 70 DDIDLO Cn1cnnc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000160714664 290775717 /nfs/dbraw/zinc/77/57/17/290775717.db2.gz QGKWEPFANIXMBT-UHFFFAOYSA-N 1 2 313.405 1.344 20 70 DDIDLO O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159365617 408403061 /nfs/dbraw/zinc/40/30/61/408403061.db2.gz ADPYNGNIXGKGLW-ZCFIWIBFSA-N 1 2 317.296 1.955 20 70 DDIDLO C[C@H]1OCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000159779004 408433979 /nfs/dbraw/zinc/43/39/79/408433979.db2.gz OGTISDPSDIWGEX-QWHCGFSZSA-N 1 2 306.410 1.581 20 70 DDIDLO CCC[N@@H+](Cc1nncn1C)C[C@H]1COc2ccccc2O1 ZINC000160779158 408521427 /nfs/dbraw/zinc/52/14/27/408521427.db2.gz XELCIVHUTYVHLL-ZDUSSCGKSA-N 1 2 302.378 1.867 20 70 DDIDLO CCC[N@H+](Cc1nncn1C)C[C@H]1COc2ccccc2O1 ZINC000160779158 408521434 /nfs/dbraw/zinc/52/14/34/408521434.db2.gz XELCIVHUTYVHLL-ZDUSSCGKSA-N 1 2 302.378 1.867 20 70 DDIDLO CC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1cnn(C)c1 ZINC000161128366 408563028 /nfs/dbraw/zinc/56/30/28/408563028.db2.gz QSMHULZASXXWAD-UHFFFAOYSA-N 1 2 322.359 1.837 20 70 DDIDLO CC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1cnn(C)c1 ZINC000161128366 408563032 /nfs/dbraw/zinc/56/30/32/408563032.db2.gz QSMHULZASXXWAD-UHFFFAOYSA-N 1 2 322.359 1.837 20 70 DDIDLO CCCCn1ncc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000160074369 197383284 /nfs/dbraw/zinc/38/32/84/197383284.db2.gz LTBSNQRBHQMFPH-CYBMUJFWSA-N 1 2 309.414 1.444 20 70 DDIDLO CCCCn1ncc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000160074369 197383282 /nfs/dbraw/zinc/38/32/82/197383282.db2.gz LTBSNQRBHQMFPH-CYBMUJFWSA-N 1 2 309.414 1.444 20 70 DDIDLO CC(C)OCCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159365657 197347920 /nfs/dbraw/zinc/34/79/20/197347920.db2.gz CLBIHAGBOKMRMJ-CYBMUJFWSA-N 1 2 313.423 1.005 20 70 DDIDLO C[C@H](Cc1ccccc1F)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160424929 162148899 /nfs/dbraw/zinc/14/88/99/162148899.db2.gz KCEAGOALPHWHDH-CJNGLKHVSA-N 1 2 320.408 1.984 20 70 DDIDLO C[C@H](Cc1ccccc1F)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160424929 162148903 /nfs/dbraw/zinc/14/89/03/162148903.db2.gz KCEAGOALPHWHDH-CJNGLKHVSA-N 1 2 320.408 1.984 20 70 DDIDLO COCCOC[C@H]1CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000160151795 408459694 /nfs/dbraw/zinc/45/96/94/408459694.db2.gz DJIZXAJXAIYPQZ-ZDUSSCGKSA-N 1 2 323.441 1.550 20 70 DDIDLO COCCOC[C@H]1CCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000160151795 408459701 /nfs/dbraw/zinc/45/97/01/408459701.db2.gz DJIZXAJXAIYPQZ-ZDUSSCGKSA-N 1 2 323.441 1.550 20 70 DDIDLO O=C(N[C@H]1CCCSC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160582429 408500180 /nfs/dbraw/zinc/50/01/80/408500180.db2.gz WVKZOWKQFMYYGN-HNNXBMFYSA-N 1 2 320.462 1.804 20 70 DDIDLO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000160696270 408515343 /nfs/dbraw/zinc/51/53/43/408515343.db2.gz YPZYTVMULAJXBQ-ZDUSSCGKSA-N 1 2 300.362 1.923 20 70 DDIDLO Cn1cnnc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000160696270 408515350 /nfs/dbraw/zinc/51/53/50/408515350.db2.gz YPZYTVMULAJXBQ-ZDUSSCGKSA-N 1 2 300.362 1.923 20 70 DDIDLO Cn1cnnc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000160742376 408519025 /nfs/dbraw/zinc/51/90/25/408519025.db2.gz FZCKBYWUWFRXLC-ZDUSSCGKSA-N 1 2 315.425 1.513 20 70 DDIDLO Cn1cnnc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000160742376 408519031 /nfs/dbraw/zinc/51/90/31/408519031.db2.gz FZCKBYWUWFRXLC-ZDUSSCGKSA-N 1 2 315.425 1.513 20 70 DDIDLO CN(C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000160961945 408545769 /nfs/dbraw/zinc/54/57/69/408545769.db2.gz QQVYWDDCEIDUAY-UHFFFAOYSA-N 1 2 324.812 1.821 20 70 DDIDLO CC1CC[NH+](CCNC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000160462389 521014508 /nfs/dbraw/zinc/01/45/08/521014508.db2.gz IZVWFAVURALJIP-UHFFFAOYSA-N 1 2 313.405 1.933 20 70 DDIDLO O=C(NC[C@@H]1CCCCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159651411 526508330 /nfs/dbraw/zinc/50/83/30/526508330.db2.gz VAPLVTKPFMLSHC-INIZCTEOSA-N 1 2 318.421 1.478 20 70 DDIDLO CC(C)NC(=O)c1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000159719948 186137489 /nfs/dbraw/zinc/13/74/89/186137489.db2.gz XGIIVRFCERDWCE-UHFFFAOYSA-N 1 2 317.433 1.991 20 70 DDIDLO CS[C@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000216931868 201505315 /nfs/dbraw/zinc/50/53/15/201505315.db2.gz ASLSUUAHQVVKLX-HIFRSBDPSA-N 1 2 308.447 1.616 20 70 DDIDLO C[C@@]1(O)CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000160219842 197393314 /nfs/dbraw/zinc/39/33/14/197393314.db2.gz ROKXWGJIBPMIHI-QGZVFWFLSA-N 1 2 318.421 1.738 20 70 DDIDLO CC(C)CN(CC(N)=O)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000159711980 408426808 /nfs/dbraw/zinc/42/68/08/408426808.db2.gz NLRROLCLARRGBT-UHFFFAOYSA-N 1 2 314.389 1.515 20 70 DDIDLO C[C@H]1CCC[N@H+](CCNC(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000160499712 408489026 /nfs/dbraw/zinc/48/90/26/408489026.db2.gz QZJHHJKMOFJALJ-LBPRGKRZSA-N 1 2 304.456 1.048 20 70 DDIDLO C[C@H]1CCC[N@@H+](CCNC(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000160499712 408489030 /nfs/dbraw/zinc/48/90/30/408489030.db2.gz QZJHHJKMOFJALJ-LBPRGKRZSA-N 1 2 304.456 1.048 20 70 DDIDLO CCOCCC1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCC1 ZINC000160582418 408499589 /nfs/dbraw/zinc/49/95/89/408499589.db2.gz HPYKWIUEWYNIEF-UHFFFAOYSA-N 1 2 312.454 1.810 20 70 DDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160596427 408503713 /nfs/dbraw/zinc/50/37/13/408503713.db2.gz AQMQMBAXEUNYSM-KYOSRNDESA-N 1 2 324.371 1.905 20 70 DDIDLO CC[C@](C)(O)CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000160698692 408515360 /nfs/dbraw/zinc/51/53/60/408515360.db2.gz KXCXMUOTGJPUJD-ZDUSSCGKSA-N 1 2 312.376 1.734 20 70 DDIDLO COc1cccc(Cl)c1CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000160787129 408524832 /nfs/dbraw/zinc/52/48/32/408524832.db2.gz YTICXTVRMILQJV-LBPRGKRZSA-N 1 2 323.824 1.007 20 70 DDIDLO CCc1cccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)c1 ZINC000161181613 408568683 /nfs/dbraw/zinc/56/86/83/408568683.db2.gz DSYHDRGOELSVDH-UHFFFAOYSA-N 1 2 321.402 1.536 20 70 DDIDLO CNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161209451 408574335 /nfs/dbraw/zinc/57/43/35/408574335.db2.gz WDSJMNLGFIPSOB-VXGBXAGGSA-N 1 2 302.296 1.559 20 70 DDIDLO CNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161209451 408574340 /nfs/dbraw/zinc/57/43/40/408574340.db2.gz WDSJMNLGFIPSOB-VXGBXAGGSA-N 1 2 302.296 1.559 20 70 DDIDLO CO[C@H]1CCC[C@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000160179082 408460740 /nfs/dbraw/zinc/46/07/40/408460740.db2.gz XDSYEXYHBTYAAA-KGLIPLIRSA-N 1 2 315.377 1.634 20 70 DDIDLO COC(=O)CCCc1nc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)no1 ZINC000159498744 408414522 /nfs/dbraw/zinc/41/45/22/408414522.db2.gz XDFYSGTXRSCXNF-NEPJUHHUSA-N 1 2 311.382 1.158 20 70 DDIDLO COC(=O)CCCc1nc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)no1 ZINC000159498744 408414525 /nfs/dbraw/zinc/41/45/25/408414525.db2.gz XDFYSGTXRSCXNF-NEPJUHHUSA-N 1 2 311.382 1.158 20 70 DDIDLO Cn1cnnc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000160742525 408519807 /nfs/dbraw/zinc/51/98/07/408519807.db2.gz FZCKBYWUWFRXLC-CYBMUJFWSA-N 1 2 315.425 1.513 20 70 DDIDLO Cn1cnnc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000160742525 408519813 /nfs/dbraw/zinc/51/98/13/408519813.db2.gz FZCKBYWUWFRXLC-CYBMUJFWSA-N 1 2 315.425 1.513 20 70 DDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000160317445 408471520 /nfs/dbraw/zinc/47/15/20/408471520.db2.gz XWBDQBLPIZMPBP-CQSZACIVSA-N 1 2 304.781 1.975 20 70 DDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000160317445 408471523 /nfs/dbraw/zinc/47/15/23/408471523.db2.gz XWBDQBLPIZMPBP-CQSZACIVSA-N 1 2 304.781 1.975 20 70 DDIDLO O=C(CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)N1CCCCCC1 ZINC000161064782 408556622 /nfs/dbraw/zinc/55/66/22/408556622.db2.gz BHQGRMUHPXFTAF-CQSZACIVSA-N 1 2 318.421 1.354 20 70 DDIDLO Cc1cc(C)cc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)c1 ZINC000161183216 408569589 /nfs/dbraw/zinc/56/95/89/408569589.db2.gz GZCJSTBFPDYXOV-UHFFFAOYSA-N 1 2 321.402 1.590 20 70 DDIDLO O=C(C1=NN(c2ccccc2)CC1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159573713 304614751 /nfs/dbraw/zinc/61/47/51/304614751.db2.gz XNZXCJYKMFNWTE-BETUJISGSA-N 1 2 312.373 1.544 20 70 DDIDLO COC(=O)C1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000160681663 290775314 /nfs/dbraw/zinc/77/53/14/290775314.db2.gz SUPUNMWMBSBSSP-UHFFFAOYSA-N 1 2 314.389 1.867 20 70 DDIDLO C[C@@H](CNC(=O)c1cccc2nc[nH]c21)C[NH+]1CCOCC1 ZINC000159631541 186131959 /nfs/dbraw/zinc/13/19/59/186131959.db2.gz GOUFFPOTZBYEOC-LBPRGKRZSA-N 1 2 302.378 1.261 20 70 DDIDLO O=C(NCc1ccn(-c2ccccc2)n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160162489 354238173 /nfs/dbraw/zinc/23/81/73/354238173.db2.gz XWGWWXPVETUVBQ-AWEZNQCLSA-N 1 2 321.384 1.948 20 70 DDIDLO CCc1nnc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160013626 248313492 /nfs/dbraw/zinc/31/34/92/248313492.db2.gz FPTPSOURRUAZEO-JTQLQIEISA-N 1 2 318.406 1.896 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(F)cc2cccnc21 ZINC000160501637 408490135 /nfs/dbraw/zinc/49/01/35/408490135.db2.gz FTHZUVXLCFKIQI-LBPRGKRZSA-N 1 2 317.364 1.824 20 70 DDIDLO COCC[N@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000160653898 408508408 /nfs/dbraw/zinc/50/84/08/408508408.db2.gz QECTUQPEBIJKSM-UHFFFAOYSA-N 1 2 304.346 1.715 20 70 DDIDLO COCC[N@@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000160653898 408508411 /nfs/dbraw/zinc/50/84/11/408508411.db2.gz QECTUQPEBIJKSM-UHFFFAOYSA-N 1 2 304.346 1.715 20 70 DDIDLO CCC(CC)[C@@H](C(=O)N[C@@H](CO)CC(C)C)[NH+]1CCOCC1 ZINC000160677052 408512485 /nfs/dbraw/zinc/51/24/85/408512485.db2.gz XWELXTNGDFSBIO-CVEARBPZSA-N 1 2 314.470 1.647 20 70 DDIDLO CC(C)c1nc(NCCNS(=O)(=O)c2cccnc2)cc[nH+]1 ZINC000161193825 408572449 /nfs/dbraw/zinc/57/24/49/408572449.db2.gz BWUUAYFBPOUGAS-UHFFFAOYSA-N 1 2 321.406 1.385 20 70 DDIDLO CCc1onc(C)c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161248715 408579345 /nfs/dbraw/zinc/57/93/45/408579345.db2.gz VPPAGYCFZXFGAR-LBPRGKRZSA-N 1 2 300.362 1.949 20 70 DDIDLO Cc1ccc(F)c(OCC(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000161250707 408579929 /nfs/dbraw/zinc/57/99/29/408579929.db2.gz YSAKDXBWQWPGSH-UHFFFAOYSA-N 1 2 310.369 1.304 20 70 DDIDLO CCn1nccc1/C=C/C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161324147 408585968 /nfs/dbraw/zinc/58/59/68/408585968.db2.gz XIPHENHKHRBYIH-UZYOAWRESA-N 1 2 311.389 1.706 20 70 DDIDLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161025806 354241771 /nfs/dbraw/zinc/24/17/71/354241771.db2.gz OCIAJIKQLHVLPX-WDEREUQCSA-N 1 2 316.327 1.198 20 70 DDIDLO CS(=O)(=O)c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000159408669 197351370 /nfs/dbraw/zinc/35/13/70/197351370.db2.gz RXUAXFRKCLRERA-CQSZACIVSA-N 1 2 324.446 1.249 20 70 DDIDLO O=C(Nc1ccc(-n2nccn2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159941038 408445815 /nfs/dbraw/zinc/44/58/15/408445815.db2.gz VVINKRDNHAYTON-GFCCVEGCSA-N 1 2 308.345 1.665 20 70 DDIDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000160112760 408456237 /nfs/dbraw/zinc/45/62/37/408456237.db2.gz OHBJKODYJKLBID-AWEZNQCLSA-N 1 2 317.433 1.812 20 70 DDIDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000160112760 408456243 /nfs/dbraw/zinc/45/62/43/408456243.db2.gz OHBJKODYJKLBID-AWEZNQCLSA-N 1 2 317.433 1.812 20 70 DDIDLO O=C(NCCCn1cc[nH+]c1)Nc1ccn(CC(F)(F)F)n1 ZINC000160662963 408511208 /nfs/dbraw/zinc/51/12/08/408511208.db2.gz HBYJUCGBAAZENO-UHFFFAOYSA-N 1 2 316.287 1.854 20 70 DDIDLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC(=O)c2cccs2)C1 ZINC000160995702 408548113 /nfs/dbraw/zinc/54/81/13/408548113.db2.gz GZCFMPGBGJXWQV-WCQYABFASA-N 1 2 310.419 1.546 20 70 DDIDLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC(=O)c2cccs2)C1 ZINC000160995702 408548117 /nfs/dbraw/zinc/54/81/17/408548117.db2.gz GZCFMPGBGJXWQV-WCQYABFASA-N 1 2 310.419 1.546 20 70 DDIDLO COC(=O)C[C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000160976411 408544141 /nfs/dbraw/zinc/54/41/41/408544141.db2.gz LHWKOGWBNQFGNP-GFCCVEGCSA-N 1 2 301.346 1.688 20 70 DDIDLO C[C@H]1C[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC(C)(C)O1 ZINC000159669439 186133905 /nfs/dbraw/zinc/13/39/05/186133905.db2.gz DGLRUAOYLIDEQW-GXTWGEPZSA-N 1 2 306.410 1.415 20 70 DDIDLO C[C@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC(C)(C)O1 ZINC000159669439 186133906 /nfs/dbraw/zinc/13/39/06/186133906.db2.gz DGLRUAOYLIDEQW-GXTWGEPZSA-N 1 2 306.410 1.415 20 70 DDIDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000160757677 354240915 /nfs/dbraw/zinc/24/09/15/354240915.db2.gz JFGDNKBVXBSSOO-UHFFFAOYSA-N 1 2 316.380 1.907 20 70 DDIDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159631596 408422989 /nfs/dbraw/zinc/42/29/89/408422989.db2.gz DLMQPNCXKRCHLP-LSDHHAIUSA-N 1 2 305.374 1.830 20 70 DDIDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159631596 408422997 /nfs/dbraw/zinc/42/29/97/408422997.db2.gz DLMQPNCXKRCHLP-LSDHHAIUSA-N 1 2 305.374 1.830 20 70 DDIDLO Cc1ccc2[nH+]c(CSCC(=O)NC3(CO)CC3)cn2c1 ZINC000160348564 408472864 /nfs/dbraw/zinc/47/28/64/408472864.db2.gz ZVDNSYZVWOFKQX-UHFFFAOYSA-N 1 2 305.403 1.517 20 70 DDIDLO Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1F ZINC000160995436 408547047 /nfs/dbraw/zinc/54/70/47/408547047.db2.gz RXTMTKQPVZOMFJ-INIZCTEOSA-N 1 2 306.381 1.957 20 70 DDIDLO Cc1ccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)c(C)c1 ZINC000161185041 408570017 /nfs/dbraw/zinc/57/00/17/408570017.db2.gz GWLGAWNESZSYCJ-UHFFFAOYSA-N 1 2 321.402 1.590 20 70 DDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1COc2ccccc21 ZINC000160361768 526550732 /nfs/dbraw/zinc/55/07/32/526550732.db2.gz KEDZAFQXLAXWPZ-HIFRSBDPSA-N 1 2 302.374 1.142 20 70 DDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1COc2ccccc21 ZINC000160361768 526550736 /nfs/dbraw/zinc/55/07/36/526550736.db2.gz KEDZAFQXLAXWPZ-HIFRSBDPSA-N 1 2 302.374 1.142 20 70 DDIDLO CCC[N@H+](Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000161115165 539220930 /nfs/dbraw/zinc/22/09/30/539220930.db2.gz KEOBWABWPJVHHB-AWEZNQCLSA-N 1 2 311.451 1.547 20 70 DDIDLO CCC[N@@H+](Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000161115165 539220932 /nfs/dbraw/zinc/22/09/32/539220932.db2.gz KEOBWABWPJVHHB-AWEZNQCLSA-N 1 2 311.451 1.547 20 70 DDIDLO COc1ccc(C(=O)NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159583939 186129028 /nfs/dbraw/zinc/12/90/28/186129028.db2.gz XZRCAZNSKCTUDF-ZFWWWQNUSA-N 1 2 320.389 1.044 20 70 DDIDLO COc1ccc(C(=O)NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159583939 186129029 /nfs/dbraw/zinc/12/90/29/186129029.db2.gz XZRCAZNSKCTUDF-ZFWWWQNUSA-N 1 2 320.389 1.044 20 70 DDIDLO COC(=O)c1cc(C[N@H+](C)CCCCS(C)(=O)=O)oc1C ZINC000161309335 354242562 /nfs/dbraw/zinc/24/25/62/354242562.db2.gz IIMCSPZASGZOHJ-UHFFFAOYSA-N 1 2 317.407 1.631 20 70 DDIDLO COC(=O)c1cc(C[N@@H+](C)CCCCS(C)(=O)=O)oc1C ZINC000161309335 354242565 /nfs/dbraw/zinc/24/25/65/354242565.db2.gz IIMCSPZASGZOHJ-UHFFFAOYSA-N 1 2 317.407 1.631 20 70 DDIDLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000218101280 407512899 /nfs/dbraw/zinc/51/28/99/407512899.db2.gz AFUCXUOXSQRGIT-ZDUSSCGKSA-N 1 2 309.435 1.912 20 70 DDIDLO COc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1O ZINC000159984633 408449254 /nfs/dbraw/zinc/44/92/54/408449254.db2.gz CXBLYBJEIFMURC-LBPRGKRZSA-N 1 2 301.346 1.476 20 70 DDIDLO CC(C)[C@H](CNC(=O)[C@@H]1CCC(=O)C[C@H]1C)[NH+]1CCOCC1 ZINC000159565559 408417421 /nfs/dbraw/zinc/41/74/21/408417421.db2.gz ASXADNWNFQSOKY-BMFZPTHFSA-N 1 2 310.438 1.465 20 70 DDIDLO CC[N@H+](CCCNC(=O)[C@H]1CCNC(=O)C1)c1ccccc1 ZINC000159697717 408427191 /nfs/dbraw/zinc/42/71/91/408427191.db2.gz AVZWWUYCISWYRY-AWEZNQCLSA-N 1 2 303.406 1.545 20 70 DDIDLO CC[N@@H+](CCCNC(=O)[C@H]1CCNC(=O)C1)c1ccccc1 ZINC000159697717 408427199 /nfs/dbraw/zinc/42/71/99/408427199.db2.gz AVZWWUYCISWYRY-AWEZNQCLSA-N 1 2 303.406 1.545 20 70 DDIDLO CC(C)Oc1cncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000159716461 408428095 /nfs/dbraw/zinc/42/80/95/408428095.db2.gz JOIXCWNIYPGWSM-CABCVRRESA-N 1 2 305.378 1.024 20 70 DDIDLO CC(C)Oc1cncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000159716461 408428101 /nfs/dbraw/zinc/42/81/01/408428101.db2.gz JOIXCWNIYPGWSM-CABCVRRESA-N 1 2 305.378 1.024 20 70 DDIDLO CC[C@](C)(NC(=O)NCC[NH+]1CCOCC1)c1nccs1 ZINC000160794144 408525214 /nfs/dbraw/zinc/52/52/14/408525214.db2.gz JLCIBABSGUTSRE-AWEZNQCLSA-N 1 2 312.439 1.400 20 70 DDIDLO CC(C)NC(=O)c1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000160376021 408475033 /nfs/dbraw/zinc/47/50/33/408475033.db2.gz HDTBTCFCSFBMNS-UHFFFAOYSA-N 1 2 300.362 1.451 20 70 DDIDLO CCC[N@H+](Cc1cccc(OCC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000161096278 408558516 /nfs/dbraw/zinc/55/85/16/408558516.db2.gz JNGGQVZWARCGPP-CQSZACIVSA-N 1 2 312.435 1.879 20 70 DDIDLO CCC[N@@H+](Cc1cccc(OCC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000161096278 408558520 /nfs/dbraw/zinc/55/85/20/408558520.db2.gz JNGGQVZWARCGPP-CQSZACIVSA-N 1 2 312.435 1.879 20 70 DDIDLO Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161194675 408571083 /nfs/dbraw/zinc/57/10/83/408571083.db2.gz IEFLYZJASUELIW-GFCCVEGCSA-N 1 2 321.402 1.671 20 70 DDIDLO CC(C)(C)[C@H](CCO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000161300738 408584683 /nfs/dbraw/zinc/58/46/83/408584683.db2.gz BTFXEFKXPSYURW-ZDUSSCGKSA-N 1 2 304.394 1.931 20 70 DDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CSCCS1 ZINC000161295379 408584823 /nfs/dbraw/zinc/58/48/23/408584823.db2.gz GRHITMVNDFTBCC-RYUDHWBXSA-N 1 2 309.460 1.625 20 70 DDIDLO COc1ccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)nn1 ZINC000159984120 277402395 /nfs/dbraw/zinc/40/23/95/277402395.db2.gz CTBSHVPKHCOZIL-UHFFFAOYSA-N 1 2 315.377 1.541 20 70 DDIDLO CO[C@@](C)(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160426497 523792691 /nfs/dbraw/zinc/79/26/91/523792691.db2.gz LDHHLGOMTWBODU-SJLPKXTDSA-N 1 2 318.417 1.528 20 70 DDIDLO CO[C@@](C)(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160426497 523792694 /nfs/dbraw/zinc/79/26/94/523792694.db2.gz LDHHLGOMTWBODU-SJLPKXTDSA-N 1 2 318.417 1.528 20 70 DDIDLO Cc1nccc(NC(=O)N(C)CC[NH+]2CCOCC2)c1Cl ZINC000159816408 539219248 /nfs/dbraw/zinc/21/92/48/539219248.db2.gz AXNMCPNTYJCPMN-UHFFFAOYSA-N 1 2 312.801 1.839 20 70 DDIDLO C[C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccncc1 ZINC000160760413 539220457 /nfs/dbraw/zinc/22/04/57/539220457.db2.gz CJAGYALDWRIASN-NVXWUHKLSA-N 1 2 317.433 1.898 20 70 DDIDLO CS(=O)(=O)CCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000161084988 539221021 /nfs/dbraw/zinc/22/10/21/539221021.db2.gz FKQNQTHCUFYUGT-UHFFFAOYSA-N 1 2 314.426 1.773 20 70 DDIDLO CN(CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000161386896 539221564 /nfs/dbraw/zinc/22/15/64/539221564.db2.gz HHCHUKIMWFQZLW-OAHLLOKOSA-N 1 2 310.401 1.913 20 70 DDIDLO O=C(N[C@@H]1CCc2ncnn2C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000161069462 295798670 /nfs/dbraw/zinc/79/86/70/295798670.db2.gz NEOJLKCVVNHHBB-NEPJUHHUSA-N 1 2 315.381 1.253 20 70 DDIDLO Cn1c(C[N@H+](CC(N)=O)C2CCCC2)nnc1-c1ccccc1 ZINC000160792776 354240676 /nfs/dbraw/zinc/24/06/76/354240676.db2.gz REYUOXDTQAMRCY-UHFFFAOYSA-N 1 2 313.405 1.712 20 70 DDIDLO Cn1c(C[N@@H+](CC(N)=O)C2CCCC2)nnc1-c1ccccc1 ZINC000160792776 354240681 /nfs/dbraw/zinc/24/06/81/354240681.db2.gz REYUOXDTQAMRCY-UHFFFAOYSA-N 1 2 313.405 1.712 20 70 DDIDLO O=C(CSCC[NH+]1CCOCC1)NCCOc1ccccc1 ZINC000160012784 248312958 /nfs/dbraw/zinc/31/29/58/248312958.db2.gz AVJQMPAEFGPHHL-UHFFFAOYSA-N 1 2 324.446 1.247 20 70 DDIDLO CC(C)CCn1ccc(NC(=O)N2CC[NH+](CCO)CC2)n1 ZINC000159672092 408425670 /nfs/dbraw/zinc/42/56/70/408425670.db2.gz ISPMWVYGALMVPR-UHFFFAOYSA-N 1 2 309.414 1.071 20 70 DDIDLO COCCCOC1CN(c2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000160443638 408485239 /nfs/dbraw/zinc/48/52/39/408485239.db2.gz OLXKHZDRMZGTJI-UHFFFAOYSA-N 1 2 309.414 1.303 20 70 DDIDLO C[C@H]1CCCC[N@@H+]1CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160496267 408489734 /nfs/dbraw/zinc/48/97/34/408489734.db2.gz JBYGYZPSYOLDQD-LBPRGKRZSA-N 1 2 304.456 1.190 20 70 DDIDLO C[C@H]1CCCC[N@H+]1CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160496267 408489740 /nfs/dbraw/zinc/48/97/40/408489740.db2.gz JBYGYZPSYOLDQD-LBPRGKRZSA-N 1 2 304.456 1.190 20 70 DDIDLO O=S1(=O)CC[C@H](N(Cc2c[nH+]c3ccccn23)C2CC2)C1 ZINC000160288879 408466887 /nfs/dbraw/zinc/46/68/87/408466887.db2.gz KXOIRSLJYPKYHS-ZDUSSCGKSA-N 1 2 305.403 1.486 20 70 DDIDLO CN(C)c1ncc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2)cn1 ZINC000161189494 408572080 /nfs/dbraw/zinc/57/20/80/408572080.db2.gz GNAKYSFIIXRAGP-UHFFFAOYSA-N 1 2 317.368 1.752 20 70 DDIDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2)cn1 ZINC000161189494 408572085 /nfs/dbraw/zinc/57/20/85/408572085.db2.gz GNAKYSFIIXRAGP-UHFFFAOYSA-N 1 2 317.368 1.752 20 70 DDIDLO Cc1ccc(C(C)(C)CN(C)C(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000161258320 408579904 /nfs/dbraw/zinc/57/99/04/408579904.db2.gz XRXGVYAWXIXKBE-UHFFFAOYSA-N 1 2 317.433 1.163 20 70 DDIDLO C[C@@H](CNC(=O)c1cc(F)cc2cccnc21)[NH+]1CCOCC1 ZINC000159975285 197377818 /nfs/dbraw/zinc/37/78/18/197377818.db2.gz JZZRXWPMNTUDQW-LBPRGKRZSA-N 1 2 317.364 1.824 20 70 DDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NCc1cccs1 ZINC000159873466 197369951 /nfs/dbraw/zinc/36/99/51/197369951.db2.gz WAAVWQOVXZYKHA-LBPRGKRZSA-N 1 2 314.476 1.818 20 70 DDIDLO CCc1nnc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160013491 248313540 /nfs/dbraw/zinc/31/35/40/248313540.db2.gz FPTPSOURRUAZEO-SNVBAGLBSA-N 1 2 318.406 1.896 20 70 DDIDLO CO[C@H]1CCC[C@@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000160178810 408459340 /nfs/dbraw/zinc/45/93/40/408459340.db2.gz XDSYEXYHBTYAAA-KBPBESRZSA-N 1 2 315.377 1.634 20 70 DDIDLO COC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000159383487 408404243 /nfs/dbraw/zinc/40/42/43/408404243.db2.gz ZZEYHUFQYGJFDW-SNVBAGLBSA-N 1 2 311.769 1.559 20 70 DDIDLO COC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000159383487 408404247 /nfs/dbraw/zinc/40/42/47/408404247.db2.gz ZZEYHUFQYGJFDW-SNVBAGLBSA-N 1 2 311.769 1.559 20 70 DDIDLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160678567 408513394 /nfs/dbraw/zinc/51/33/94/408513394.db2.gz CFWFORMJTJNBOS-LLVKDONJSA-N 1 2 302.334 1.641 20 70 DDIDLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC2(C1)OCCO2 ZINC000160678567 408513400 /nfs/dbraw/zinc/51/34/00/408513400.db2.gz CFWFORMJTJNBOS-LLVKDONJSA-N 1 2 302.334 1.641 20 70 DDIDLO CO[C@H]1CCC[C@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160739819 408519775 /nfs/dbraw/zinc/51/97/75/408519775.db2.gz AMHDHXYIXNIREF-KGLIPLIRSA-N 1 2 306.410 1.629 20 70 DDIDLO O=C(NCc1ccccc1-n1cccn1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160847050 408529276 /nfs/dbraw/zinc/52/92/76/408529276.db2.gz PBOSMQNZDXVZSD-AWEZNQCLSA-N 1 2 321.384 1.948 20 70 DDIDLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCn2ccnc2C1 ZINC000161431319 408601648 /nfs/dbraw/zinc/60/16/48/408601648.db2.gz YLSAYTMNCXLPIB-AWEZNQCLSA-N 1 2 313.405 1.849 20 70 DDIDLO CC(C)N(C(=O)C[NH+]1CCN(Cc2ccncc2)CC1)C(C)C ZINC000161165822 408565521 /nfs/dbraw/zinc/56/55/21/408565521.db2.gz JLYZTNQBLWYYDA-UHFFFAOYSA-N 1 2 318.465 1.845 20 70 DDIDLO CC(C)N(C(=O)CN1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000161165822 408565526 /nfs/dbraw/zinc/56/55/26/408565526.db2.gz JLYZTNQBLWYYDA-UHFFFAOYSA-N 1 2 318.465 1.845 20 70 DDIDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161188415 408572425 /nfs/dbraw/zinc/57/24/25/408572425.db2.gz WKKULMARWSGTEQ-INIZCTEOSA-N 1 2 316.449 1.600 20 70 DDIDLO C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161188415 408572428 /nfs/dbraw/zinc/57/24/28/408572428.db2.gz WKKULMARWSGTEQ-INIZCTEOSA-N 1 2 316.449 1.600 20 70 DDIDLO CC(C)(C)[C@H](CCO)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000161220273 408573961 /nfs/dbraw/zinc/57/39/61/408573961.db2.gz FSCMOGANFIQDJJ-ZDUSSCGKSA-N 1 2 315.458 1.194 20 70 DDIDLO CC[C@H](O)CCNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000160956481 408541814 /nfs/dbraw/zinc/54/18/14/408541814.db2.gz ZJFVAKHQJJKPST-AWEZNQCLSA-N 1 2 308.426 1.888 20 70 DDIDLO COCC[NH+]1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000161456726 408604223 /nfs/dbraw/zinc/60/42/23/408604223.db2.gz FVYGARFUZHENBP-UHFFFAOYSA-N 1 2 313.401 1.947 20 70 DDIDLO Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001164631197 719256286 /nfs/dbraw/zinc/25/62/86/719256286.db2.gz CFDCAUJDJJRXAN-GHMZBOCLSA-N 1 2 301.387 1.577 20 70 DDIDLO Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001164631197 719256292 /nfs/dbraw/zinc/25/62/92/719256292.db2.gz CFDCAUJDJJRXAN-GHMZBOCLSA-N 1 2 301.387 1.577 20 70 DDIDLO Cc1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)c2cccnc12 ZINC000160954534 539220638 /nfs/dbraw/zinc/22/06/38/539220638.db2.gz STJAVFVMNRJDLZ-UHFFFAOYSA-N 1 2 302.359 1.745 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000159840728 197368554 /nfs/dbraw/zinc/36/85/54/197368554.db2.gz XZXQWJXMZVKEOT-CQSZACIVSA-N 1 2 301.346 1.031 20 70 DDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000159840728 197368555 /nfs/dbraw/zinc/36/85/55/197368555.db2.gz XZXQWJXMZVKEOT-CQSZACIVSA-N 1 2 301.346 1.031 20 70 DDIDLO CCCCN(CC)C(=O)C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000159411368 408405845 /nfs/dbraw/zinc/40/58/45/408405845.db2.gz RFLAZTALANRHEO-UHFFFAOYSA-N 1 2 322.453 1.749 20 70 DDIDLO O=C(NCc1cscn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159840988 408438272 /nfs/dbraw/zinc/43/82/72/408438272.db2.gz SQMZJAKLMJWYRI-UHFFFAOYSA-N 1 2 317.418 1.566 20 70 DDIDLO CCc1nn(C)c(CC)c1C[N@@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000160589329 408500447 /nfs/dbraw/zinc/50/04/47/408500447.db2.gz ZTNWALWRNNIUIC-LBPRGKRZSA-N 1 2 313.467 1.554 20 70 DDIDLO CCc1nn(C)c(CC)c1C[N@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000160589329 408500452 /nfs/dbraw/zinc/50/04/52/408500452.db2.gz ZTNWALWRNNIUIC-LBPRGKRZSA-N 1 2 313.467 1.554 20 70 DDIDLO CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(C)(C)c1ccccc1 ZINC000160763705 408521321 /nfs/dbraw/zinc/52/13/21/408521321.db2.gz SBANDARDOBUZIX-OAHLLOKOSA-N 1 2 317.433 1.291 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)[C@H]3CCOC3)c2c1 ZINC000161006403 408549784 /nfs/dbraw/zinc/54/97/84/408549784.db2.gz CMDJAPISYVRZLM-LBPRGKRZSA-N 1 2 316.357 1.858 20 70 DDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)[C@H]3CCOC3)c2c1 ZINC000161006403 408549787 /nfs/dbraw/zinc/54/97/87/408549787.db2.gz CMDJAPISYVRZLM-LBPRGKRZSA-N 1 2 316.357 1.858 20 70 DDIDLO O=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Nc1ccc(F)cc1 ZINC000161040559 408555010 /nfs/dbraw/zinc/55/50/10/408555010.db2.gz SUAGHZRWHDYGJS-LLVKDONJSA-N 1 2 316.336 1.340 20 70 DDIDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(=O)n2ccsc2n1 ZINC000161074295 408557155 /nfs/dbraw/zinc/55/71/55/408557155.db2.gz OLFRFHJAGQEQOB-UHFFFAOYSA-N 1 2 303.391 1.512 20 70 DDIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(=O)n2ccsc2n1 ZINC000161074295 408557157 /nfs/dbraw/zinc/55/71/57/408557157.db2.gz OLFRFHJAGQEQOB-UHFFFAOYSA-N 1 2 303.391 1.512 20 70 DDIDLO Cc1ccccc1N1CC[NH+](CCCCS(C)(=O)=O)CC1 ZINC000161211024 539220926 /nfs/dbraw/zinc/22/09/26/539220926.db2.gz WRHSTNCYFNFFPU-UHFFFAOYSA-N 1 2 310.463 1.942 20 70 DDIDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159589053 186128764 /nfs/dbraw/zinc/12/87/64/186128764.db2.gz MMEJVPCYEWDEKB-UHFFFAOYSA-N 1 2 314.813 1.510 20 70 DDIDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159589053 186128765 /nfs/dbraw/zinc/12/87/65/186128765.db2.gz MMEJVPCYEWDEKB-UHFFFAOYSA-N 1 2 314.813 1.510 20 70 DDIDLO CCc1nnc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)[nH]1 ZINC000160283575 197397265 /nfs/dbraw/zinc/39/72/65/197397265.db2.gz ZUPBWAFEMWIWRW-HNNXBMFYSA-N 1 2 315.421 1.530 20 70 DDIDLO Cc1cccc(C)c1CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000159899196 197371618 /nfs/dbraw/zinc/37/16/18/197371618.db2.gz YAMYPCAAEMBFJJ-INIZCTEOSA-N 1 2 319.449 1.866 20 70 DDIDLO COCCOC[C@@H]1CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000160151925 408459198 /nfs/dbraw/zinc/45/91/98/408459198.db2.gz DJIZXAJXAIYPQZ-CYBMUJFWSA-N 1 2 323.441 1.550 20 70 DDIDLO COCCOC[C@@H]1CCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)C1 ZINC000160151925 408459204 /nfs/dbraw/zinc/45/92/04/408459204.db2.gz DJIZXAJXAIYPQZ-CYBMUJFWSA-N 1 2 323.441 1.550 20 70 DDIDLO COC(=O)c1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)oc1C ZINC000159666863 408426017 /nfs/dbraw/zinc/42/60/17/408426017.db2.gz HNCMKMXMIHJLRF-LLVKDONJSA-N 1 2 317.345 1.450 20 70 DDIDLO NC(=O)c1cnc(N2CCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000160426737 408482671 /nfs/dbraw/zinc/48/26/71/408482671.db2.gz LSFOWMIMICDNSY-GFCCVEGCSA-N 1 2 324.812 1.135 20 70 DDIDLO CCCCN(CC)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161211631 408574423 /nfs/dbraw/zinc/57/44/23/408574423.db2.gz MJENOFANZQMMJV-UHFFFAOYSA-N 1 2 318.465 1.848 20 70 DDIDLO CCCCN(CC)C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161211631 408574425 /nfs/dbraw/zinc/57/44/25/408574425.db2.gz MJENOFANZQMMJV-UHFFFAOYSA-N 1 2 318.465 1.848 20 70 DDIDLO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000161378352 484074595 /nfs/dbraw/zinc/07/45/95/484074595.db2.gz VEHXLCOCJZOLHQ-VXGBXAGGSA-N 1 2 300.362 1.578 20 70 DDIDLO COc1cc[nH+]cc1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000160451487 408484961 /nfs/dbraw/zinc/48/49/61/408484961.db2.gz UNKUOBNQIYKRRD-UHFFFAOYSA-N 1 2 312.372 1.808 20 70 DDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160595081 408502867 /nfs/dbraw/zinc/50/28/67/408502867.db2.gz NNTTVPCLNOARNN-YUTCNCBUSA-N 1 2 324.371 1.905 20 70 DDIDLO Clc1snnc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161232582 408577282 /nfs/dbraw/zinc/57/72/82/408577282.db2.gz ULSDGPHOJWAKIE-UHFFFAOYSA-N 1 2 309.826 1.904 20 70 DDIDLO CC1=C(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCO1 ZINC000160935540 408541750 /nfs/dbraw/zinc/54/17/50/408541750.db2.gz PEMVEHCOUJKNEO-UHFFFAOYSA-N 1 2 301.390 1.810 20 70 DDIDLO COc1cccc(S(=O)(=O)CC[N@@H+]2CCCSCC2)c1 ZINC000161479948 408607315 /nfs/dbraw/zinc/60/73/15/408607315.db2.gz MTHCWRZYGLRFJD-UHFFFAOYSA-N 1 2 315.460 1.908 20 70 DDIDLO COc1cccc(S(=O)(=O)CC[N@H+]2CCCSCC2)c1 ZINC000161479948 408607318 /nfs/dbraw/zinc/60/73/18/408607318.db2.gz MTHCWRZYGLRFJD-UHFFFAOYSA-N 1 2 315.460 1.908 20 70 DDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4cccs4)n[nH]3)C[C@@H]21 ZINC000159697979 523942071 /nfs/dbraw/zinc/94/20/71/523942071.db2.gz YLKFSGLVXPTYEM-QWHCGFSZSA-N 1 2 318.402 1.293 20 70 DDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4cccs4)n[nH]3)C[C@@H]21 ZINC000159697979 523942077 /nfs/dbraw/zinc/94/20/77/523942077.db2.gz YLKFSGLVXPTYEM-QWHCGFSZSA-N 1 2 318.402 1.293 20 70 DDIDLO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)cc2c1OCO2 ZINC000159719015 186137259 /nfs/dbraw/zinc/13/72/59/186137259.db2.gz QIORVDHNXKTTRG-UHFFFAOYSA-N 1 2 306.362 1.511 20 70 DDIDLO COCC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000159728398 186138138 /nfs/dbraw/zinc/13/81/38/186138138.db2.gz ATHOPYIQZLVIJQ-UHFFFAOYSA-N 1 2 320.433 1.808 20 70 DDIDLO Nc1nc(CSCC[NH+]2CCOCC2)nc2ccccc12 ZINC000159973726 197377461 /nfs/dbraw/zinc/37/74/61/197377461.db2.gz GTCJLMOSLTVJQU-UHFFFAOYSA-N 1 2 304.419 1.777 20 70 DDIDLO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)NC1CC1 ZINC000159386918 197349545 /nfs/dbraw/zinc/34/95/45/197349545.db2.gz PRFMLOSKUMSLGB-LBPRGKRZSA-N 1 2 319.405 1.623 20 70 DDIDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)NC1CC1 ZINC000159386918 197349547 /nfs/dbraw/zinc/34/95/47/197349547.db2.gz PRFMLOSKUMSLGB-LBPRGKRZSA-N 1 2 319.405 1.623 20 70 DDIDLO COC(=O)C1([N@H+](C)CC(=O)NC(C2CC2)C2CC2)CCCC1 ZINC000159460273 408410641 /nfs/dbraw/zinc/41/06/41/408410641.db2.gz KQCJVPOJKUULLT-UHFFFAOYSA-N 1 2 308.422 1.709 20 70 DDIDLO COC(=O)C1([N@@H+](C)CC(=O)NC(C2CC2)C2CC2)CCCC1 ZINC000159460273 408410646 /nfs/dbraw/zinc/41/06/46/408410646.db2.gz KQCJVPOJKUULLT-UHFFFAOYSA-N 1 2 308.422 1.709 20 70 DDIDLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000159702715 408428325 /nfs/dbraw/zinc/42/83/25/408428325.db2.gz YYSUCGOGYYFCNL-HNNXBMFYSA-N 1 2 307.442 1.293 20 70 DDIDLO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000159702715 408428329 /nfs/dbraw/zinc/42/83/29/408428329.db2.gz YYSUCGOGYYFCNL-HNNXBMFYSA-N 1 2 307.442 1.293 20 70 DDIDLO COc1ccc([C@H](CO)N(C)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000160530165 408491601 /nfs/dbraw/zinc/49/16/01/408491601.db2.gz IMISEOQHZJOYMF-HNNXBMFYSA-N 1 2 318.377 1.267 20 70 DDIDLO COc1ccc([C@H](CCO)NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000160544311 408494131 /nfs/dbraw/zinc/49/41/31/408494131.db2.gz NJWFFHBWWASKSL-HNNXBMFYSA-N 1 2 318.377 1.315 20 70 DDIDLO CC[C@@]1(C)C[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000161000356 408549113 /nfs/dbraw/zinc/54/91/13/408549113.db2.gz XMNVKIVGPIQBFQ-YOEHRIQHSA-N 1 2 303.406 1.971 20 70 DDIDLO CNC(=O)COc1ccc([NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161172541 408568092 /nfs/dbraw/zinc/56/80/92/408568092.db2.gz KHSYHJOENSYLIB-UHFFFAOYSA-N 1 2 319.405 1.671 20 70 DDIDLO Cc1ccc(C)c(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)c1 ZINC000161180643 408568900 /nfs/dbraw/zinc/56/89/00/408568900.db2.gz FREHJYWZUIMDMS-UHFFFAOYSA-N 1 2 321.402 1.590 20 70 DDIDLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCn2ccnc2C1 ZINC000161431209 408602174 /nfs/dbraw/zinc/60/21/74/408602174.db2.gz YLSAYTMNCXLPIB-CQSZACIVSA-N 1 2 313.405 1.849 20 70 DDIDLO