smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNc1cc(CNC(=O)NC[C@H](O)C(CC)CC)cc[nH+]1 ZINC000952992505 792855043 /nfs/dbraw/zinc/85/50/43/792855043.db2.gz GWMDRKUJLNVMJN-AWEZNQCLSA-N 1 2 308.426 2.110 50 0 DEAALO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1nc(-c2ccncc2)no1 ZINC000952982705 792859907 /nfs/dbraw/zinc/85/99/07/792859907.db2.gz RDBQMPKTFHLWTA-LBPRGKRZSA-N 1 2 324.388 2.443 50 0 DEAALO CO[C@H]1COC[C@@H]1Nc1cc(Sc2cccs2)[nH+]c(N)n1 ZINC001529102133 1070857490 /nfs/dbraw/zinc/85/74/90/1070857490.db2.gz XUORQYCUOVHOLR-IUCAKERBSA-N 1 2 324.431 2.097 50 0 DEAALO CN(CCC[NH+]1CCOCC1)c1nnc(-c2ccccc2)s1 ZINC000823743492 1090696530 /nfs/dbraw/zinc/69/65/30/1090696530.db2.gz BORTZOGFPQNHGI-UHFFFAOYSA-N 1 2 318.446 2.364 50 0 DEAALO CN(Cc1[nH+]ccn1C)c1ncnc2c1Cc1ccccc1OC2 ZINC000095526240 185378014 /nfs/dbraw/zinc/37/80/14/185378014.db2.gz FXKRHDZFNYRAHL-UHFFFAOYSA-N 1 2 321.384 2.330 50 0 DEAALO Cc1cccc(C(N)=O)c1NCc1[nH+]ccn1CC(F)(F)F ZINC000079062245 185151838 /nfs/dbraw/zinc/15/18/38/185151838.db2.gz CMFCVUOHBNNGNW-UHFFFAOYSA-N 1 2 312.295 2.465 50 0 DEAALO Cc1c[nH]c(CN(C)C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)[nH+]1 ZINC000095390858 185351483 /nfs/dbraw/zinc/35/14/83/185351483.db2.gz YBVCDOTVHHNYFK-UHFFFAOYSA-N 1 2 311.345 2.086 50 0 DEAALO OCCC[NH+]1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000095396209 185353053 /nfs/dbraw/zinc/35/30/53/185353053.db2.gz VBNJZBJKIZYTIQ-CQSZACIVSA-N 1 2 302.340 2.290 50 0 DEAALO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000097010895 185396919 /nfs/dbraw/zinc/39/69/19/185396919.db2.gz RFRGHZMVFVASJQ-AWEZNQCLSA-N 1 2 311.385 2.306 50 0 DEAALO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ncnn1C ZINC000097012391 185397049 /nfs/dbraw/zinc/39/70/49/185397049.db2.gz PVVBELQJAUNMCJ-STQMWFEESA-N 1 2 323.441 2.083 50 0 DEAALO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ncnn1C ZINC000097012391 185397050 /nfs/dbraw/zinc/39/70/50/185397050.db2.gz PVVBELQJAUNMCJ-STQMWFEESA-N 1 2 323.441 2.083 50 0 DEAALO Cc1nc(C)c(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)s1 ZINC000097032561 185399424 /nfs/dbraw/zinc/39/94/24/185399424.db2.gz YOQPKVYGWWBMLK-AWEZNQCLSA-N 1 2 301.415 2.172 50 0 DEAALO Cc1nc(C)c(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)s1 ZINC000097032561 185399425 /nfs/dbraw/zinc/39/94/25/185399425.db2.gz YOQPKVYGWWBMLK-AWEZNQCLSA-N 1 2 301.415 2.172 50 0 DEAALO CCc1[nH]c(C)c(-c2nccn2Cc2cn3c(n2)SCC3)[nH+]1 ZINC000071752816 191024239 /nfs/dbraw/zinc/02/42/39/191024239.db2.gz AERIYBFRXFCWQN-UHFFFAOYSA-N 1 2 314.418 2.495 50 0 DEAALO CC(C)(C)c1nc(C(=O)N[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000072282642 191102824 /nfs/dbraw/zinc/10/28/24/191102824.db2.gz MDGXVXATHKSYRT-JTQLQIEISA-N 1 2 304.419 2.382 50 0 DEAALO CCO[C@@H](C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000253397586 186305971 /nfs/dbraw/zinc/30/59/71/186305971.db2.gz FGYLEKJJBZTFRB-UONOGXRCSA-N 1 2 305.422 2.350 50 0 DEAALO C[NH+](C)c1ccc(N[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000004317719 181097101 /nfs/dbraw/zinc/09/71/01/181097101.db2.gz HXRNDGTURHLRLR-MRXNPFEDSA-N 1 2 309.369 2.497 50 0 DEAALO Cc1cccn2cc(CCNc3cc(Cl)nc(N)n3)[nH+]c12 ZINC000075091864 355067507 /nfs/dbraw/zinc/06/75/07/355067507.db2.gz COUSXMRKTLAJPN-UHFFFAOYSA-N 1 2 302.769 2.323 50 0 DEAALO O=C(NCc1[nH+]ccn1Cc1ccccc1)[C@H]1CCC[C@@H](O)C1 ZINC000170087270 355986045 /nfs/dbraw/zinc/98/60/45/355986045.db2.gz IJEAYUGGSUAQOF-JKSUJKDBSA-N 1 2 313.401 2.099 50 0 DEAALO CC(C)c1nnc2ccc(NC(=O)CCc3c[nH+]cn3C)cn21 ZINC000194085265 356234169 /nfs/dbraw/zinc/23/41/69/356234169.db2.gz OQMZVTKNXFLMJP-UHFFFAOYSA-N 1 2 312.377 2.158 50 0 DEAALO O=C([C@H](O)c1ccccc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000390827951 356710567 /nfs/dbraw/zinc/71/05/67/356710567.db2.gz MJEWALSOVYSXKS-QGZVFWFLSA-N 1 2 312.369 2.185 50 0 DEAALO CC(C)n1ccnc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000584896298 357329574 /nfs/dbraw/zinc/32/95/74/357329574.db2.gz OARIYEDLBADRBN-CYBMUJFWSA-N 1 2 316.409 2.276 50 0 DEAALO Cc1cc(S(=O)(=O)N2CC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000585135127 357336054 /nfs/dbraw/zinc/33/60/54/357336054.db2.gz YQPXPVFRVFRGOS-NSHDSACASA-N 1 2 309.366 2.035 50 0 DEAALO CCc1noc(C)c1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180603660 199183251 /nfs/dbraw/zinc/18/32/51/199183251.db2.gz OLFKZBNBYLFTEQ-LBPRGKRZSA-N 1 2 303.366 2.438 50 0 DEAALO CC[N@H+](CC(=O)NC(C)C)CC(=O)NC1CCCCCCC1 ZINC000005938672 181298705 /nfs/dbraw/zinc/29/87/05/181298705.db2.gz REMWHJVJYSWFMS-UHFFFAOYSA-N 1 2 311.470 2.062 50 0 DEAALO CC[N@@H+](CC(=O)NC(C)C)CC(=O)NC1CCCCCCC1 ZINC000005938672 181298706 /nfs/dbraw/zinc/29/87/06/181298706.db2.gz REMWHJVJYSWFMS-UHFFFAOYSA-N 1 2 311.470 2.062 50 0 DEAALO CCc1n[nH]c2c1C[N@H+]([C@@H](CC)C(=O)NC1CCCC1)CC2 ZINC000670454659 540936394 /nfs/dbraw/zinc/93/63/94/540936394.db2.gz XDFFLVKTARHVIG-INIZCTEOSA-N 1 2 304.438 2.168 50 0 DEAALO CCc1n[nH]c2c1C[N@@H+]([C@@H](CC)C(=O)NC1CCCC1)CC2 ZINC000670454659 540936397 /nfs/dbraw/zinc/93/63/97/540936397.db2.gz XDFFLVKTARHVIG-INIZCTEOSA-N 1 2 304.438 2.168 50 0 DEAALO CCc1[nH]nc2c1C[N@H+]([C@@H](CC)C(=O)NC1CCCC1)CC2 ZINC000670454659 540936399 /nfs/dbraw/zinc/93/63/99/540936399.db2.gz XDFFLVKTARHVIG-INIZCTEOSA-N 1 2 304.438 2.168 50 0 DEAALO CCc1[nH]nc2c1C[N@@H+]([C@@H](CC)C(=O)NC1CCCC1)CC2 ZINC000670454659 540936402 /nfs/dbraw/zinc/93/64/02/540936402.db2.gz XDFFLVKTARHVIG-INIZCTEOSA-N 1 2 304.438 2.168 50 0 DEAALO CC(C)Cn1c[nH+]cc1CNS(=O)(=O)c1ccccc1F ZINC000670469730 540938222 /nfs/dbraw/zinc/93/82/22/540938222.db2.gz MEFRECMJLVAMJS-UHFFFAOYSA-N 1 2 311.382 2.157 50 0 DEAALO Cn1ncc2c1nc(N[C@@H](c1ccccc1)[C@H]1CCCO1)[nH+]c2N ZINC000195255735 201368365 /nfs/dbraw/zinc/36/83/65/201368365.db2.gz UUTDCBUUHPVODS-KGLIPLIRSA-N 1 2 324.388 2.278 50 0 DEAALO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(CSC(F)F)o1 ZINC000092042358 193145147 /nfs/dbraw/zinc/14/51/47/193145147.db2.gz AKNMGDYRJLAUHC-JOYOIKCWSA-N 1 2 307.362 2.317 50 0 DEAALO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(CSC(F)F)o1 ZINC000092042358 193145148 /nfs/dbraw/zinc/14/51/48/193145148.db2.gz AKNMGDYRJLAUHC-JOYOIKCWSA-N 1 2 307.362 2.317 50 0 DEAALO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000016916188 182064138 /nfs/dbraw/zinc/06/41/38/182064138.db2.gz JDDZNQCOWWCOBQ-UHFFFAOYSA-N 1 2 303.387 2.392 50 0 DEAALO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000016916188 182064142 /nfs/dbraw/zinc/06/41/42/182064142.db2.gz JDDZNQCOWWCOBQ-UHFFFAOYSA-N 1 2 303.387 2.392 50 0 DEAALO O=C(NCC[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000019848291 182156422 /nfs/dbraw/zinc/15/64/22/182156422.db2.gz LQMUIUYYANJRRA-UHFFFAOYSA-N 1 2 303.189 2.055 50 0 DEAALO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCOCC1 ZINC000019877765 182159830 /nfs/dbraw/zinc/15/98/30/182159830.db2.gz JVFKQRBGWLOUTP-LLVKDONJSA-N 1 2 306.189 2.065 50 0 DEAALO Cc1cccc(OCCn2c3ccccc3n(CCO)c2=[NH2+])c1 ZINC000019973659 182172178 /nfs/dbraw/zinc/17/21/78/182172178.db2.gz AYJOBKQHPAPHDY-UHFFFAOYSA-N 1 2 311.385 2.302 50 0 DEAALO Cc1nc2c3ccccc3oc2c(NCC[NH+]2CCOCC2)n1 ZINC000020461094 182220792 /nfs/dbraw/zinc/22/07/92/182220792.db2.gz KSLIZUOIYFMWMN-UHFFFAOYSA-N 1 2 312.373 2.429 50 0 DEAALO CCN(C(C)=O)c1nc(CSc2nc(N)cc(C)[nH+]2)cs1 ZINC000024841150 182393221 /nfs/dbraw/zinc/39/32/21/182393221.db2.gz VRUHQXZDNCTLIM-UHFFFAOYSA-N 1 2 323.447 2.489 50 0 DEAALO Cc1ccc(C(N)=O)c(NCc2nc(Cc3ccccc3)no2)[nH+]1 ZINC000032503423 182645193 /nfs/dbraw/zinc/64/51/93/182645193.db2.gz HMIUHBFWMRWOSX-UHFFFAOYSA-N 1 2 323.356 2.075 50 0 DEAALO C[N@@H+]1CCc2nc(NC(=O)Cc3cccc(F)c3)sc2C1 ZINC000040460701 183070238 /nfs/dbraw/zinc/07/02/38/183070238.db2.gz WRDVOKMTRAUSBU-UHFFFAOYSA-N 1 2 305.378 2.451 50 0 DEAALO C[N@H+]1CCc2nc(NC(=O)Cc3cccc(F)c3)sc2C1 ZINC000040460701 183070240 /nfs/dbraw/zinc/07/02/40/183070240.db2.gz WRDVOKMTRAUSBU-UHFFFAOYSA-N 1 2 305.378 2.451 50 0 DEAALO COc1ccc(C2=CC[N@H+](Cc3nnnn3C3CC3)CC2)cc1 ZINC000040540713 183097470 /nfs/dbraw/zinc/09/74/70/183097470.db2.gz SCUSCJNPRJVKPA-UHFFFAOYSA-N 1 2 311.389 2.306 50 0 DEAALO COc1ccc(C2=CC[N@@H+](Cc3nnnn3C3CC3)CC2)cc1 ZINC000040540713 183097473 /nfs/dbraw/zinc/09/74/73/183097473.db2.gz SCUSCJNPRJVKPA-UHFFFAOYSA-N 1 2 311.389 2.306 50 0 DEAALO Cc1ccc(C(=O)CCC(=O)N[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000042535614 183281962 /nfs/dbraw/zinc/28/19/62/183281962.db2.gz DBLCODPKRRKYKH-NSHDSACASA-N 1 2 305.403 2.421 50 0 DEAALO COc1ccc([C@@H]2CCCN2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000043311975 183354205 /nfs/dbraw/zinc/35/42/05/183354205.db2.gz IHKAUTYGDCTCKT-INIZCTEOSA-N 1 2 314.389 2.438 50 0 DEAALO NC(=O)c1cnc(NCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000048272521 183635594 /nfs/dbraw/zinc/63/55/94/183635594.db2.gz JZZIOJDTKMALFP-UHFFFAOYSA-N 1 2 301.737 2.094 50 0 DEAALO c1cncc(-c2noc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)n2)c1 ZINC000106751476 194249964 /nfs/dbraw/zinc/24/99/64/194249964.db2.gz LNWQPJZRYVJBRW-ZIAGYGMSSA-N 1 2 300.362 2.275 50 0 DEAALO c1cncc(-c2noc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)n2)c1 ZINC000106751476 194249966 /nfs/dbraw/zinc/24/99/66/194249966.db2.gz LNWQPJZRYVJBRW-ZIAGYGMSSA-N 1 2 300.362 2.275 50 0 DEAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000056193523 184006804 /nfs/dbraw/zinc/00/68/04/184006804.db2.gz VJFMEYDPRQMDKH-HZPDHXFCSA-N 1 2 313.401 2.379 50 0 DEAALO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057280533 184031939 /nfs/dbraw/zinc/03/19/39/184031939.db2.gz OXJSMONNGSPWNP-OAHLLOKOSA-N 1 2 301.434 2.256 50 0 DEAALO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057280531 184032157 /nfs/dbraw/zinc/03/21/57/184032157.db2.gz OXJSMONNGSPWNP-HNNXBMFYSA-N 1 2 301.434 2.256 50 0 DEAALO O=C([C@H]1CC=CCC1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000056921769 184021714 /nfs/dbraw/zinc/02/17/14/184021714.db2.gz GGELKNPDINMQBW-GJZGRUSLSA-N 1 2 320.458 2.282 50 0 DEAALO O=C([C@@H]1CC=CCC1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000056921771 184021724 /nfs/dbraw/zinc/02/17/24/184021724.db2.gz GGELKNPDINMQBW-CABCVRRESA-N 1 2 320.458 2.282 50 0 DEAALO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2nccs2)CC1 ZINC000057463427 184038925 /nfs/dbraw/zinc/03/89/25/184038925.db2.gz RFAXSDPFLVYOKP-ZDUSSCGKSA-N 1 2 316.430 2.292 50 0 DEAALO COC(=O)c1ccc(CN(C)C(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000057781197 184052776 /nfs/dbraw/zinc/05/27/76/184052776.db2.gz BVNAKTGHRNQTBA-UHFFFAOYSA-N 1 2 323.352 2.393 50 0 DEAALO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000057878861 184060614 /nfs/dbraw/zinc/06/06/14/184060614.db2.gz SKSMXIRAIHKYSW-LBPRGKRZSA-N 1 2 318.446 2.484 50 0 DEAALO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000057878861 184060616 /nfs/dbraw/zinc/06/06/16/184060616.db2.gz SKSMXIRAIHKYSW-LBPRGKRZSA-N 1 2 318.446 2.484 50 0 DEAALO O=C(c1cc(F)ccc1F)C1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000058229701 184091297 /nfs/dbraw/zinc/09/12/97/184091297.db2.gz MUWHJIGDKHDDNM-CQSZACIVSA-N 1 2 309.312 2.175 50 0 DEAALO C[C@H](c1ccccn1)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058392931 184112020 /nfs/dbraw/zinc/11/20/20/184112020.db2.gz OLNVCCWXQYBGQU-CYBMUJFWSA-N 1 2 307.357 2.496 50 0 DEAALO CCCn1cc[nH+]c1[C@@H]1CC(=O)Nc2cc(O)c(OC)cc21 ZINC000065405438 184337847 /nfs/dbraw/zinc/33/78/47/184337847.db2.gz KJNJODOELYJNIS-LLVKDONJSA-N 1 2 301.346 2.481 50 0 DEAALO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000065537878 184363422 /nfs/dbraw/zinc/36/34/22/184363422.db2.gz HUNBIWVNQVOLJP-AWEZNQCLSA-N 1 2 303.337 2.321 50 0 DEAALO NC(=O)[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000065537878 184363423 /nfs/dbraw/zinc/36/34/23/184363423.db2.gz HUNBIWVNQVOLJP-AWEZNQCLSA-N 1 2 303.337 2.321 50 0 DEAALO Cc1cccn2cc(CC(=O)Nc3ccc(NC(N)=O)cc3)[nH+]c12 ZINC000065607531 184371938 /nfs/dbraw/zinc/37/19/38/184371938.db2.gz ZKOLZCXPMKPQKE-UHFFFAOYSA-N 1 2 323.356 2.315 50 0 DEAALO CC[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCO1 ZINC000065612220 184373792 /nfs/dbraw/zinc/37/37/92/184373792.db2.gz PWZAEJAGKUPYHD-OAHLLOKOSA-N 1 2 318.421 2.002 50 0 DEAALO Cc1c2cccc(F)c2oc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000071871071 184878910 /nfs/dbraw/zinc/87/89/10/184878910.db2.gz OXWHSUBBKWGDCH-NSHDSACASA-N 1 2 320.364 2.019 50 0 DEAALO COC(=O)C1CC[NH+](Cc2cn(C[C@H](C)CC(C)C)nn2)CC1 ZINC000685943695 542768884 /nfs/dbraw/zinc/76/88/84/542768884.db2.gz LDZSCQFFHVTQCE-CQSZACIVSA-N 1 2 322.453 2.345 50 0 DEAALO COc1ccc(CC(=O)N2CCc3[nH]c[nH+]c3C23CCC3)cc1 ZINC000685943087 542769057 /nfs/dbraw/zinc/76/90/57/542769057.db2.gz CTWFVXONSALXGU-UHFFFAOYSA-N 1 2 311.385 2.425 50 0 DEAALO CC(C)C[C@@H](C)Cn1cc(C[N@H+](CC(N)=O)C2CCCC2)nn1 ZINC000685943571 542769091 /nfs/dbraw/zinc/76/90/91/542769091.db2.gz DUXVACQOHGCMHP-CQSZACIVSA-N 1 2 321.469 2.190 50 0 DEAALO CC(C)C[C@@H](C)Cn1cc(C[N@@H+](CC(N)=O)C2CCCC2)nn1 ZINC000685943571 542769094 /nfs/dbraw/zinc/76/90/94/542769094.db2.gz DUXVACQOHGCMHP-CQSZACIVSA-N 1 2 321.469 2.190 50 0 DEAALO COc1ccccc1/C=C/C[NH+]1CCN(c2ncccn2)CC1 ZINC000023282079 134657702 /nfs/dbraw/zinc/65/77/02/134657702.db2.gz LMVKAACKDHFCAP-QPJJXVBHSA-N 1 2 310.401 2.321 50 0 DEAALO Cc1cc(N)nc(S[C@H](C)C(=O)NCCc2ccccc2)[nH+]1 ZINC000007177426 401737402 /nfs/dbraw/zinc/73/74/02/401737402.db2.gz JSJLTGSLLFYCOA-GFCCVEGCSA-N 1 2 316.430 2.207 50 0 DEAALO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1nccs1 ZINC000071876690 401691165 /nfs/dbraw/zinc/69/11/65/401691165.db2.gz FJAKGJHBLSINPG-GFCCVEGCSA-N 1 2 319.434 2.269 50 0 DEAALO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1nccs1 ZINC000071876690 401691167 /nfs/dbraw/zinc/69/11/67/401691167.db2.gz FJAKGJHBLSINPG-GFCCVEGCSA-N 1 2 319.434 2.269 50 0 DEAALO CCCCc1nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)no1 ZINC000071880477 401691755 /nfs/dbraw/zinc/69/17/55/401691755.db2.gz FXJGRAGWKIWKPW-CABCVRRESA-N 1 2 320.437 2.388 50 0 DEAALO CCCCc1nc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)no1 ZINC000071880477 401691757 /nfs/dbraw/zinc/69/17/57/401691757.db2.gz FXJGRAGWKIWKPW-CABCVRRESA-N 1 2 320.437 2.388 50 0 DEAALO Cc1cccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000071908158 401695836 /nfs/dbraw/zinc/69/58/36/401695836.db2.gz HLCZURBMOCQYTG-OAHLLOKOSA-N 1 2 310.401 2.304 50 0 DEAALO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000002650586 401716629 /nfs/dbraw/zinc/71/66/29/401716629.db2.gz OIXAWEDXZJXISR-OAHLLOKOSA-N 1 2 310.401 2.231 50 0 DEAALO O=C(NC1CCCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000013324472 401798817 /nfs/dbraw/zinc/79/88/17/401798817.db2.gz ZRWRNJVWDJXQQP-UHFFFAOYSA-N 1 2 302.422 2.242 50 0 DEAALO NNc1nc(Nc2ccc(F)cc2)nc(N2CCCCC2)[nH+]1 ZINC000008573160 401753833 /nfs/dbraw/zinc/75/38/33/401753833.db2.gz IHIKQMOBGBVZLN-UHFFFAOYSA-N 1 2 303.345 2.030 50 0 DEAALO COc1ccccc1NC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000008734191 401755642 /nfs/dbraw/zinc/75/56/42/401755642.db2.gz FAUNWBAIYAOGQN-UHFFFAOYSA-N 1 2 304.375 2.107 50 0 DEAALO Cc1ccc(CNC(=O)CSc2nc(N)cc(C)[nH+]2)cc1 ZINC000008750603 401756375 /nfs/dbraw/zinc/75/63/75/401756375.db2.gz ODRJVJRQUQIBCE-UHFFFAOYSA-N 1 2 302.403 2.084 50 0 DEAALO O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553004 401762494 /nfs/dbraw/zinc/76/24/94/401762494.db2.gz GMGAFEOGHGLLSU-CYBMUJFWSA-N 1 2 313.357 2.201 50 0 DEAALO OC[C@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000012593573 401788883 /nfs/dbraw/zinc/78/88/83/401788883.db2.gz MYYCQGKWGHWRPZ-CQSZACIVSA-N 1 2 305.353 2.146 50 0 DEAALO OC[C@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000012593573 401788886 /nfs/dbraw/zinc/78/88/86/401788886.db2.gz MYYCQGKWGHWRPZ-CQSZACIVSA-N 1 2 305.353 2.146 50 0 DEAALO COc1ccc(Cl)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000024060379 401829017 /nfs/dbraw/zinc/82/90/17/401829017.db2.gz GIIQQKLIXHQBBA-UHFFFAOYSA-N 1 2 318.808 2.461 50 0 DEAALO c1ccc2c(c1)ncnc2NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000025005618 401830097 /nfs/dbraw/zinc/83/00/97/401830097.db2.gz KTZIOTUOQDUEFX-UHFFFAOYSA-N 1 2 321.384 2.474 50 0 DEAALO Cc1cn2nc(NC[C@@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)sc2n1 ZINC000025501357 401835046 /nfs/dbraw/zinc/83/50/46/401835046.db2.gz UIHCCCKHTLOENX-UTUOFQBUSA-N 1 2 309.439 2.009 50 0 DEAALO Cc1cn2nc(NC[C@@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)sc2n1 ZINC000025501357 401835049 /nfs/dbraw/zinc/83/50/49/401835049.db2.gz UIHCCCKHTLOENX-UTUOFQBUSA-N 1 2 309.439 2.009 50 0 DEAALO Cc1cc(C[NH+]2CCN(c3cnc4ccccc4n3)CC2)on1 ZINC000026137815 401839110 /nfs/dbraw/zinc/83/91/10/401839110.db2.gz BDSVDICYFRMBKR-UHFFFAOYSA-N 1 2 309.373 2.248 50 0 DEAALO COc1ccccc1CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000028092858 401850166 /nfs/dbraw/zinc/85/01/66/401850166.db2.gz RYJFEZLHSABUQW-UHFFFAOYSA-N 1 2 308.341 2.457 50 0 DEAALO C[C@@H]1C[N@@H+]([C@@H](CNc2ncccn2)c2cccs2)CCO1 ZINC000078802975 401866646 /nfs/dbraw/zinc/86/66/46/401866646.db2.gz TWUAYEZQLWXYTK-OLZOCXBDSA-N 1 2 304.419 2.412 50 0 DEAALO C[C@@H]1C[N@H+]([C@@H](CNc2ncccn2)c2cccs2)CCO1 ZINC000078802975 401866649 /nfs/dbraw/zinc/86/66/49/401866649.db2.gz TWUAYEZQLWXYTK-OLZOCXBDSA-N 1 2 304.419 2.412 50 0 DEAALO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000034668546 401893353 /nfs/dbraw/zinc/89/33/53/401893353.db2.gz FJZVFWVHJNOEFM-OAHLLOKOSA-N 1 2 319.449 2.074 50 0 DEAALO Cc1cccc(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000036078824 401902028 /nfs/dbraw/zinc/90/20/28/401902028.db2.gz WYKNMQZOBVLMRQ-HNNXBMFYSA-N 1 2 322.430 2.310 50 0 DEAALO COC(=O)c1cccc(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000045015462 401953014 /nfs/dbraw/zinc/95/30/14/401953014.db2.gz NCIXNCYNTMZYGY-UHFFFAOYSA-N 1 2 309.325 2.051 50 0 DEAALO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCOc2ccccc21 ZINC000045571952 401958680 /nfs/dbraw/zinc/95/86/80/401958680.db2.gz MRMKOIZLUWJGCF-CQSZACIVSA-N 1 2 312.373 2.317 50 0 DEAALO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2)no1 ZINC000089718197 401959634 /nfs/dbraw/zinc/95/96/34/401959634.db2.gz XYFCUNPTOIGKHM-HOTGVXAUSA-N 1 2 317.389 2.093 50 0 DEAALO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)COCc2ccccc2)no1 ZINC000089718197 401959636 /nfs/dbraw/zinc/95/96/36/401959636.db2.gz XYFCUNPTOIGKHM-HOTGVXAUSA-N 1 2 317.389 2.093 50 0 DEAALO Cn1cc[nH+]c1CN(C(=O)c1cnc2ccccc2n1)C1CC1 ZINC000047237805 401980155 /nfs/dbraw/zinc/98/01/55/401980155.db2.gz IFAWPPRUXOUDFV-UHFFFAOYSA-N 1 2 307.357 2.168 50 0 DEAALO CC(C)Sc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000048210117 401995540 /nfs/dbraw/zinc/99/55/40/401995540.db2.gz 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/nfs/dbraw/zinc/04/41/85/402044185.db2.gz ONRBMPMXXHKNBG-LLVKDONJSA-N 1 2 310.385 2.273 50 0 DEAALO Cc1cc(NC(=O)NC2(C(=O)NCC3CC3)CCCC2)cc[nH+]1 ZINC000096008008 402046176 /nfs/dbraw/zinc/04/61/76/402046176.db2.gz DMQBOFWHBFTJJM-UHFFFAOYSA-N 1 2 316.405 2.351 50 0 DEAALO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803731 402046690 /nfs/dbraw/zinc/04/66/90/402046690.db2.gz HDALTMDMFYXEBK-ZYHUDNBSSA-N 1 2 318.450 2.479 50 0 DEAALO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803731 402046691 /nfs/dbraw/zinc/04/66/91/402046691.db2.gz HDALTMDMFYXEBK-ZYHUDNBSSA-N 1 2 318.450 2.479 50 0 DEAALO Cc1ccc([C@H](C)[N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)s1 ZINC000052830705 402047517 /nfs/dbraw/zinc/04/75/17/402047517.db2.gz KXUZGFMAEYMWFC-JTQLQIEISA-N 1 2 317.418 2.220 50 0 DEAALO Cc1ccc([C@H](C)[N@@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)s1 ZINC000052830705 402047520 /nfs/dbraw/zinc/04/75/20/402047520.db2.gz KXUZGFMAEYMWFC-JTQLQIEISA-N 1 2 317.418 2.220 50 0 DEAALO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2nccs2)CC1 ZINC000054635262 402069923 /nfs/dbraw/zinc/06/99/23/402069923.db2.gz OYNCVMPZHKAGEW-AWEZNQCLSA-N 1 2 322.478 2.056 50 0 DEAALO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCc1c[nH+]c[nH]1 ZINC000096223448 402071899 /nfs/dbraw/zinc/07/18/99/402071899.db2.gz RZNYMANYWXDNKL-UHFFFAOYSA-N 1 2 323.400 2.244 50 0 DEAALO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCc1c[nH]c[nH+]1 ZINC000096223448 402071900 /nfs/dbraw/zinc/07/19/00/402071900.db2.gz RZNYMANYWXDNKL-UHFFFAOYSA-N 1 2 323.400 2.244 50 0 DEAALO CCc1ccc(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)o1 ZINC000096426967 402084015 /nfs/dbraw/zinc/08/40/15/402084015.db2.gz IIAFWVVVKODTCB-NSHDSACASA-N 1 2 307.419 2.091 50 0 DEAALO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCS1 ZINC000096432292 402085939 /nfs/dbraw/zinc/08/59/39/402085939.db2.gz TVKQZUZBJMDZFC-AWEZNQCLSA-N 1 2 316.430 2.481 50 0 DEAALO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)n1C ZINC000055816505 402086405 /nfs/dbraw/zinc/08/64/05/402086405.db2.gz MHZVUEUHNCWSHC-UHFFFAOYSA-N 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ZINC000067446643 402160041 /nfs/dbraw/zinc/16/00/41/402160041.db2.gz CCGBLINJLBVQFD-UHFFFAOYSA-N 1 2 320.356 2.324 50 0 DEAALO Cc1nnc(C(=O)NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)o1 ZINC000067605825 402164740 /nfs/dbraw/zinc/16/47/40/402164740.db2.gz ZBKYYMAYTFFTTI-UHFFFAOYSA-N 1 2 313.361 2.234 50 0 DEAALO Cn1cc[nH+]c1CN(C(=O)c1ccccc1-c1nc[nH]n1)C1CC1 ZINC000067605531 402164899 /nfs/dbraw/zinc/16/48/99/402164899.db2.gz CLQHBCOVFIFLPN-UHFFFAOYSA-N 1 2 322.372 2.010 50 0 DEAALO CCCn1ccnc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000067805926 402173748 /nfs/dbraw/zinc/17/37/48/402173748.db2.gz JIRDNLVFGDJAOX-UHFFFAOYSA-N 1 2 304.438 2.128 50 0 DEAALO Cn1cc[nH+]c1CCNC(=O)CCSc1ccccc1F ZINC000069349193 402218970 /nfs/dbraw/zinc/21/89/70/402218970.db2.gz OXWWMDBZBVIJNC-UHFFFAOYSA-N 1 2 307.394 2.400 50 0 DEAALO COc1cccc(C[N@@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 ZINC000069378929 402220997 /nfs/dbraw/zinc/22/09/97/402220997.db2.gz AQBBZTXULYLSPX-GOSISDBHSA-N 1 2 315.417 2.410 50 0 DEAALO 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COC(=O)c1oc(C[NH+]2CCN(c3nccs3)CC2)cc1C ZINC000032825219 401884509 /nfs/dbraw/zinc/88/45/09/401884509.db2.gz MMRCDGLVSTYVQE-UHFFFAOYSA-N 1 2 321.402 2.153 50 0 DEAALO Cn1cc[nH+]c1CN(Cn1nc2ccccn2c1=S)C1CC1 ZINC000032932621 401886721 /nfs/dbraw/zinc/88/67/21/401886721.db2.gz ACHGTSXMXFXZEC-UHFFFAOYSA-N 1 2 314.418 2.221 50 0 DEAALO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034685323 401893268 /nfs/dbraw/zinc/89/32/68/401893268.db2.gz QDQNNGBCHMWHIM-CYBMUJFWSA-N 1 2 309.841 2.377 50 0 DEAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000035802352 401900785 /nfs/dbraw/zinc/90/07/85/401900785.db2.gz QGFQCWYILXOFFF-UHFFFAOYSA-N 1 2 302.827 2.056 50 0 DEAALO CO[C@@]1(C)C[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C1(C)C ZINC000084668201 401908342 /nfs/dbraw/zinc/90/83/42/401908342.db2.gz ZLFPBQVZSZSEPN-YOEHRIQHSA-N 1 2 320.437 2.433 50 0 DEAALO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCOc2ccccc21 ZINC000044946416 401952027 /nfs/dbraw/zinc/95/20/27/401952027.db2.gz DFMSFBIFLXGSDY-CQSZACIVSA-N 1 2 300.362 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/nfs/dbraw/zinc/99/64/51/401996451.db2.gz KWHREMVMEREYKY-ZDUSSCGKSA-N 1 2 303.337 2.321 50 0 DEAALO COc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000044896672 401950136 /nfs/dbraw/zinc/95/01/36/401950136.db2.gz HYYWVRBIIITOSG-UHFFFAOYSA-N 1 2 308.341 2.206 50 0 DEAALO O=C([C@@H]1CCOC1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095353107 402026472 /nfs/dbraw/zinc/02/64/72/402026472.db2.gz NRVXDRMXHFJNIA-OAHLLOKOSA-N 1 2 303.406 2.036 50 0 DEAALO CCn1ccnc1CN(C)C(=O)[C@H](c1ccccc1F)[NH+](C)C ZINC000095357949 402027768 /nfs/dbraw/zinc/02/77/68/402027768.db2.gz OMGFPQZSYGRYRP-INIZCTEOSA-N 1 2 318.396 2.303 50 0 DEAALO O=C([O-])CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095366906 402028222 /nfs/dbraw/zinc/02/82/22/402028222.db2.gz DFJDPDWKAMRZJC-GFCCVEGCSA-N 1 2 320.418 2.042 50 0 DEAALO O=C([O-])CC[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095366906 402028224 /nfs/dbraw/zinc/02/82/24/402028224.db2.gz DFJDPDWKAMRZJC-GFCCVEGCSA-N 1 2 320.418 2.042 50 0 DEAALO Cn1nc(-c2cccs2)cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000095370507 402028989 /nfs/dbraw/zinc/02/89/89/402028989.db2.gz AIUBTAJENKLOPP-UHFFFAOYSA-N 1 2 313.386 2.070 50 0 DEAALO Cn1nc(-c2cccs2)cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000095370507 402028992 /nfs/dbraw/zinc/02/89/92/402028992.db2.gz AIUBTAJENKLOPP-UHFFFAOYSA-N 1 2 313.386 2.070 50 0 DEAALO CCC[C@@H](NC(=O)Cn1c(CC)[nH+]c2ccccc21)C(=O)OC ZINC000095983826 402041957 /nfs/dbraw/zinc/04/19/57/402041957.db2.gz IEZVNHYJVBPWIQ-CYBMUJFWSA-N 1 2 317.389 2.057 50 0 DEAALO O=C(C[N@@H+]1CCc2sccc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052432749 402042405 /nfs/dbraw/zinc/04/24/05/402042405.db2.gz ZCXPFHRXHQSPAR-GJZGRUSLSA-N 1 2 320.458 2.276 50 0 DEAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052432749 402042406 /nfs/dbraw/zinc/04/24/06/402042406.db2.gz ZCXPFHRXHQSPAR-GJZGRUSLSA-N 1 2 320.458 2.276 50 0 DEAALO Cc1nn(C)c(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000096412394 402079684 /nfs/dbraw/zinc/07/96/84/402079684.db2.gz 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CCCCn1cc[nH+]c1-c1cccc(NC(=O)CNC(C)=O)c1 ZINC000089955515 185271739 /nfs/dbraw/zinc/27/17/39/185271739.db2.gz RDALMKYWFJMZOG-UHFFFAOYSA-N 1 2 314.389 2.425 50 0 DEAALO CCOCCC(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082107986 192356583 /nfs/dbraw/zinc/35/65/83/192356583.db2.gz HZWULCAXJQGNPY-UHFFFAOYSA-N 1 2 305.422 2.426 50 0 DEAALO CN(C[C@H](O)C1CC1)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000095409062 185356874 /nfs/dbraw/zinc/35/68/74/185356874.db2.gz AIYDUEPFBTWBQK-HNNXBMFYSA-N 1 2 309.373 2.023 50 0 DEAALO Cc1cc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)no1 ZINC000095420856 185360336 /nfs/dbraw/zinc/36/03/36/185360336.db2.gz XKBQAYBGWXUNAA-JTQLQIEISA-N 1 2 312.366 2.376 50 0 DEAALO Cn1ncc2c1nc[nH+]c2NCc1nc(C(F)(F)F)cs1 ZINC000095434868 185364235 /nfs/dbraw/zinc/36/42/35/185364235.db2.gz XLKNXPHWFHTLEX-UHFFFAOYSA-N 1 2 314.296 2.451 50 0 DEAALO Cc1nnc([S@@](=O)Cc2[nH+]ccn2C)n1[C@@H]1CCC[C@H](C)C1 ZINC000095442870 185366710 /nfs/dbraw/zinc/36/67/10/185366710.db2.gz WKYLVZFAGPVXAN-WBLQJCTDSA-N 1 2 321.450 2.379 50 0 DEAALO CCCCOc1cccc(CNC(=O)[C@H]2COCC[N@@H+]2CC)c1 ZINC000095453111 185369525 /nfs/dbraw/zinc/36/95/25/185369525.db2.gz ODGJYYNYRHLTLJ-QGZVFWFLSA-N 1 2 320.433 2.202 50 0 DEAALO CCCCOc1cccc(CNC(=O)[C@H]2COCC[N@H+]2CC)c1 ZINC000095453111 185369526 /nfs/dbraw/zinc/36/95/26/185369526.db2.gz ODGJYYNYRHLTLJ-QGZVFWFLSA-N 1 2 320.433 2.202 50 0 DEAALO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccco3)C2)[nH]n1 ZINC000084110912 539392132 /nfs/dbraw/zinc/39/21/32/539392132.db2.gz ZEKWOIOQEVTELG-UONOGXRCSA-N 1 2 316.405 2.368 50 0 DEAALO Cc1cc([C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)c3ccco3)C2)[nH]n1 ZINC000084110912 539392138 /nfs/dbraw/zinc/39/21/38/539392138.db2.gz ZEKWOIOQEVTELG-UONOGXRCSA-N 1 2 316.405 2.368 50 0 DEAALO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccco3)C2)n[nH]1 ZINC000084110912 539392142 /nfs/dbraw/zinc/39/21/42/539392142.db2.gz ZEKWOIOQEVTELG-UONOGXRCSA-N 1 2 316.405 2.368 50 0 DEAALO Cc1cc([C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)c3ccco3)C2)n[nH]1 ZINC000084110912 539392145 /nfs/dbraw/zinc/39/21/45/539392145.db2.gz ZEKWOIOQEVTELG-UONOGXRCSA-N 1 2 316.405 2.368 50 0 DEAALO CCCCc1noc(CN2CCN(C3=[NH+]C[C@@H](C)S3)CC2)n1 ZINC000084746935 539398020 /nfs/dbraw/zinc/39/80/20/539398020.db2.gz SHHWHLGWVGJHMO-GFCCVEGCSA-N 1 2 323.466 2.021 50 0 DEAALO CO[C@H]1CCCC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000083897685 192390105 /nfs/dbraw/zinc/39/01/05/192390105.db2.gz SWRDJZWYQWGPJH-GJZGRUSLSA-N 1 2 306.410 2.187 50 0 DEAALO CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)[nH]n1 ZINC000071738606 191020151 /nfs/dbraw/zinc/02/01/51/191020151.db2.gz YEJXXHSZYKKTJU-CQSZACIVSA-N 1 2 304.438 2.294 50 0 DEAALO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)[nH]n1 ZINC000071738606 191020154 /nfs/dbraw/zinc/02/01/54/191020154.db2.gz YEJXXHSZYKKTJU-CQSZACIVSA-N 1 2 304.438 2.294 50 0 DEAALO O=C(Nc1cn[nH]c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058228005 304012157 /nfs/dbraw/zinc/01/21/57/304012157.db2.gz NIHREULHSSGMFV-AWEZNQCLSA-N 1 2 302.403 2.138 50 0 DEAALO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000072290819 191108177 /nfs/dbraw/zinc/10/81/77/191108177.db2.gz AZJIGMURZWRUDE-RYUDHWBXSA-N 1 2 305.382 2.270 50 0 DEAALO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000072290819 191108180 /nfs/dbraw/zinc/10/81/80/191108180.db2.gz AZJIGMURZWRUDE-RYUDHWBXSA-N 1 2 305.382 2.270 50 0 DEAALO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ncn(-c3ccccc3)n2)C1 ZINC000225668438 186288189 /nfs/dbraw/zinc/28/81/89/186288189.db2.gz HPFKELBUVXLYJU-GOEBONIOSA-N 1 2 300.406 2.250 50 0 DEAALO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ncn(-c3ccccc3)n2)C1 ZINC000225668438 186288191 /nfs/dbraw/zinc/28/81/91/186288191.db2.gz HPFKELBUVXLYJU-GOEBONIOSA-N 1 2 300.406 2.250 50 0 DEAALO O=C1NCC[N@H+](CCCO[C@@H]2CCCCO2)[C@@H]1c1cccs1 ZINC000253392424 186303190 /nfs/dbraw/zinc/30/31/90/186303190.db2.gz UMSRATOYNCTINE-HUUCEWRRSA-N 1 2 324.446 2.154 50 0 DEAALO O=C1NCC[N@@H+](CCCO[C@@H]2CCCCO2)[C@@H]1c1cccs1 ZINC000253392424 186303192 /nfs/dbraw/zinc/30/31/92/186303192.db2.gz UMSRATOYNCTINE-HUUCEWRRSA-N 1 2 324.446 2.154 50 0 DEAALO CC[NH+](CC)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000072557623 191194016 /nfs/dbraw/zinc/19/40/16/191194016.db2.gz INMFFHDYZRBLGG-LLVKDONJSA-N 1 2 303.175 2.456 50 0 DEAALO Cn1cnn(C[N@@H+]2CCC[C@@H]2COc2ccccc2)c1=S ZINC000078808648 355279459 /nfs/dbraw/zinc/27/94/59/355279459.db2.gz AYZXFVDCWRUEKP-CYBMUJFWSA-N 1 2 304.419 2.452 50 0 DEAALO Cn1cnn(C[N@H+]2CCC[C@@H]2COc2ccccc2)c1=S ZINC000078808648 355279464 /nfs/dbraw/zinc/27/94/64/355279464.db2.gz AYZXFVDCWRUEKP-CYBMUJFWSA-N 1 2 304.419 2.452 50 0 DEAALO CCc1noc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000078890890 355282978 /nfs/dbraw/zinc/28/29/78/355282978.db2.gz FWYZALDPWMCYHB-NSHDSACASA-N 1 2 303.366 2.272 50 0 DEAALO CCc1noc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000078890890 355282981 /nfs/dbraw/zinc/28/29/81/355282981.db2.gz FWYZALDPWMCYHB-NSHDSACASA-N 1 2 303.366 2.272 50 0 DEAALO COc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2noc(C)n2)c1 ZINC000095397647 355696070 /nfs/dbraw/zinc/69/60/70/355696070.db2.gz JMCPWCSQUFUVKG-CABCVRRESA-N 1 2 303.362 2.257 50 0 DEAALO COc1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2noc(C)n2)c1 ZINC000095397647 355696074 /nfs/dbraw/zinc/69/60/74/355696074.db2.gz JMCPWCSQUFUVKG-CABCVRRESA-N 1 2 303.362 2.257 50 0 DEAALO CC(C)NC(=O)[C@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096845241 355701383 /nfs/dbraw/zinc/70/13/83/355701383.db2.gz GHXNQFMNAXJOOG-JEZWAEDTSA-N 1 2 315.461 2.231 50 0 DEAALO CC(C)NC(=O)[C@H](C)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000096845241 355701387 /nfs/dbraw/zinc/70/13/87/355701387.db2.gz GHXNQFMNAXJOOG-JEZWAEDTSA-N 1 2 315.461 2.231 50 0 DEAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1csc(-c2ccco2)n1 ZINC000097197751 355701833 /nfs/dbraw/zinc/70/18/33/355701833.db2.gz SVKNYOHHNSQTAE-JTQLQIEISA-N 1 2 314.370 2.344 50 0 DEAALO O[C@H](C[N@@H+]1CCO[C@H](c2nccs2)C1)c1ccccc1F ZINC000097199883 355702493 /nfs/dbraw/zinc/70/24/93/355702493.db2.gz DKZRQEUJDRXXSI-KGLIPLIRSA-N 1 2 308.378 2.389 50 0 DEAALO O[C@H](C[N@H+]1CCO[C@H](c2nccs2)C1)c1ccccc1F ZINC000097199883 355702497 /nfs/dbraw/zinc/70/24/97/355702497.db2.gz DKZRQEUJDRXXSI-KGLIPLIRSA-N 1 2 308.378 2.389 50 0 DEAALO O=C(c1ccn2cc[nH+]c2c1)N1CCCCC[C@@H]1c1ncon1 ZINC000170088185 355985961 /nfs/dbraw/zinc/98/59/61/355985961.db2.gz OMQQUZOGFNHRLP-CYBMUJFWSA-N 1 2 311.345 2.475 50 0 DEAALO O=C(c1ccn2cc[nH+]c2c1)N1CCCCC[C@H]1c1ncon1 ZINC000170088188 355986026 /nfs/dbraw/zinc/98/60/26/355986026.db2.gz OMQQUZOGFNHRLP-ZDUSSCGKSA-N 1 2 311.345 2.475 50 0 DEAALO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C(=O)O1 ZINC000229830690 356282114 /nfs/dbraw/zinc/28/21/14/356282114.db2.gz AJQWXIXZQVEIPX-KKZNHRDASA-N 1 2 317.311 2.312 50 0 DEAALO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C(=O)O1 ZINC000229830690 356282115 /nfs/dbraw/zinc/28/21/15/356282115.db2.gz AJQWXIXZQVEIPX-KKZNHRDASA-N 1 2 317.311 2.312 50 0 DEAALO COc1ccccc1O[C@@H](C)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC000081098905 192227018 /nfs/dbraw/zinc/22/70/18/192227018.db2.gz QBZAEHACKFRWAP-STQMWFEESA-N 1 2 303.362 2.036 50 0 DEAALO CCO[C@H]1COC[C@@H]1Nc1nccc(-c2ccc(C)[nH+]c2C)n1 ZINC000584901909 357331702 /nfs/dbraw/zinc/33/17/02/357331702.db2.gz KJELGCVDZHHAHD-HOTGVXAUSA-N 1 2 314.389 2.371 50 0 DEAALO COC(=O)[C@@H](c1cccc(O)c1)[N@H+](C)CCc1ccncc1 ZINC000585141738 357338966 /nfs/dbraw/zinc/33/89/66/357338966.db2.gz ZPELMRWVKPGOSS-MRXNPFEDSA-N 1 2 300.358 2.176 50 0 DEAALO COC(=O)[C@@H](c1cccc(O)c1)[N@@H+](C)CCc1ccncc1 ZINC000585141738 357338967 /nfs/dbraw/zinc/33/89/67/357338967.db2.gz ZPELMRWVKPGOSS-MRXNPFEDSA-N 1 2 300.358 2.176 50 0 DEAALO CCc1[nH+]c2ccccc2n1CCc1ncnn1C[C@H](O)CC ZINC000670448940 540935067 /nfs/dbraw/zinc/93/50/67/540935067.db2.gz MAWYITUBVOCGBY-CYBMUJFWSA-N 1 2 313.405 2.204 50 0 DEAALO CC[C@@H](NC(=O)c1cc(C)n2nc(C)cc2n1)c1[nH]cc(C)[nH+]1 ZINC000670455128 540936536 /nfs/dbraw/zinc/93/65/36/540936536.db2.gz NHPSRDBCOCOVQD-GFCCVEGCSA-N 1 2 312.377 2.259 50 0 DEAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1cn2ccsc2n1 ZINC000091695103 193093227 /nfs/dbraw/zinc/09/32/27/193093227.db2.gz GORHKFCWSTYRTG-UHFFFAOYSA-N 1 2 303.391 2.182 50 0 DEAALO O=C(c1ncc[nH]1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091757040 193102784 /nfs/dbraw/zinc/10/27/84/193102784.db2.gz UXDAVFWCUAUBMN-UHFFFAOYSA-N 1 2 313.405 2.426 50 0 DEAALO CCCn1cc(C(=O)N(C)CCCc2[nH+]ccn2C)c(C)n1 ZINC000091997431 193138757 /nfs/dbraw/zinc/13/87/57/193138757.db2.gz VVIAZRJDRKQUOB-UHFFFAOYSA-N 1 2 303.410 2.040 50 0 DEAALO O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000253423071 202882824 /nfs/dbraw/zinc/88/28/24/202882824.db2.gz VASJCLHKGGTNHP-ZDUSSCGKSA-N 1 2 309.329 2.437 50 0 DEAALO COc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000015880115 182023629 /nfs/dbraw/zinc/02/36/29/182023629.db2.gz DEJMRRDRLOPNLI-UHFFFAOYSA-N 1 2 303.387 2.392 50 0 DEAALO COc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000015880115 182023630 /nfs/dbraw/zinc/02/36/30/182023630.db2.gz DEJMRRDRLOPNLI-UHFFFAOYSA-N 1 2 303.387 2.392 50 0 DEAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)NC(=O)NC(C)(C)C ZINC000017046871 182070594 /nfs/dbraw/zinc/07/05/94/182070594.db2.gz RWFVOHFDHVHZQQ-JTQLQIEISA-N 1 2 320.418 2.439 50 0 DEAALO O=C(OCC[NH+]1CCOCC1)C1(c2ccccc2)CCCC1 ZINC000019913790 182164278 /nfs/dbraw/zinc/16/42/78/182164278.db2.gz NGEHFCUVRJMSFA-UHFFFAOYSA-N 1 2 303.402 2.374 50 0 DEAALO CCOc1cc(C=O)ccc1OCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020639195 182240480 /nfs/dbraw/zinc/24/04/80/182240480.db2.gz WDCMHGVOFUXPFR-KBPBESRZSA-N 1 2 307.390 2.386 50 0 DEAALO O=C(c1cccs1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000020896927 182252291 /nfs/dbraw/zinc/25/22/91/182252291.db2.gz BFMDHMYDQLFGRX-UHFFFAOYSA-N 1 2 301.415 2.144 50 0 DEAALO Cc1nc(CC(=O)NCCc2cn3ccccc3[nH+]2)cs1 ZINC000023319068 182357610 /nfs/dbraw/zinc/35/76/10/182357610.db2.gz QIOSMDNNYFVTHY-UHFFFAOYSA-N 1 2 300.387 2.001 50 0 DEAALO COc1ccc2cc(C[N@H+](C)CCS(C)(=O)=O)ccc2c1 ZINC000040465931 183072727 /nfs/dbraw/zinc/07/27/27/183072727.db2.gz SMVRGZLDVYIBEQ-UHFFFAOYSA-N 1 2 307.415 2.325 50 0 DEAALO COc1ccc2cc(C[N@@H+](C)CCS(C)(=O)=O)ccc2c1 ZINC000040465931 183072728 /nfs/dbraw/zinc/07/27/28/183072728.db2.gz SMVRGZLDVYIBEQ-UHFFFAOYSA-N 1 2 307.415 2.325 50 0 DEAALO CC(C)c1noc(C[NH+](C[C@@H]2CCCO2)C[C@@H]2CCCO2)n1 ZINC000040540240 183097243 /nfs/dbraw/zinc/09/72/43/183097243.db2.gz VTHZPFVDZFCMEE-KBPBESRZSA-N 1 2 309.410 2.353 50 0 DEAALO CC(C)c1noc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)n1 ZINC000040540241 183097270 /nfs/dbraw/zinc/09/72/70/183097270.db2.gz VTHZPFVDZFCMEE-OKILXGFUSA-N 1 2 309.410 2.353 50 0 DEAALO CC(C)c1noc(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)n1 ZINC000040540241 183097273 /nfs/dbraw/zinc/09/72/73/183097273.db2.gz VTHZPFVDZFCMEE-OKILXGFUSA-N 1 2 309.410 2.353 50 0 DEAALO CCn1cc[nH+]c1CNc1nccc(-c2c(C)nn(C)c2C)n1 ZINC000048233996 183630044 /nfs/dbraw/zinc/63/00/44/183630044.db2.gz SJYBPBSULCXLPC-UHFFFAOYSA-N 1 2 311.393 2.322 50 0 DEAALO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)c3cccnc3)CCO2)n1 ZINC000106666066 194241948 /nfs/dbraw/zinc/24/19/48/194241948.db2.gz LGPTZOVMOJHXOE-NVXWUHKLSA-N 1 2 300.406 2.357 50 0 DEAALO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H](C)c3cccnc3)CCO2)n1 ZINC000106666066 194241950 /nfs/dbraw/zinc/24/19/50/194241950.db2.gz LGPTZOVMOJHXOE-NVXWUHKLSA-N 1 2 300.406 2.357 50 0 DEAALO O=C(c1ccoc1)N1CC[NH+](Cn2cnc3ccccc32)CC1 ZINC000057087347 184026792 /nfs/dbraw/zinc/02/67/92/184026792.db2.gz DZQKAZDRNZTXIC-UHFFFAOYSA-N 1 2 310.357 2.045 50 0 DEAALO O=C(Nc1nccs1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000058244773 184093782 /nfs/dbraw/zinc/09/37/82/184093782.db2.gz XXGUSHPKMUNEGU-UHFFFAOYSA-N 1 2 318.402 2.198 50 0 DEAALO CO[C@@H](CNC(=O)c1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000058356712 184108537 /nfs/dbraw/zinc/10/85/37/184108537.db2.gz HKDNZQPJUQXYJP-INIZCTEOSA-N 1 2 322.368 2.385 50 0 DEAALO CCO[C@H](CC)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058393895 184112658 /nfs/dbraw/zinc/11/26/58/184112658.db2.gz WYATVWNNUGCQBE-OAHLLOKOSA-N 1 2 305.353 2.443 50 0 DEAALO 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ONMZEBDPRNQOBC-UHFFFAOYSA-N 1 2 315.396 2.370 50 0 DEAALO CC[C@](C)([NH2+]Cc1c(F)cccc1Br)C(N)=O ZINC000093199726 193215743 /nfs/dbraw/zinc/21/57/43/193215743.db2.gz MAIVSISGXQMKPG-LBPRGKRZSA-N 1 2 303.175 2.332 50 0 DEAALO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1Cl ZINC000016648936 182055889 /nfs/dbraw/zinc/05/58/89/182055889.db2.gz YTSOQXWGPBKCKI-UHFFFAOYSA-N 1 2 313.810 2.214 50 0 DEAALO COc1ccccc1C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000019773837 182146197 /nfs/dbraw/zinc/14/61/97/182146197.db2.gz VSXWYYGXHLALRA-UHFFFAOYSA-N 1 2 311.385 2.048 50 0 DEAALO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C)cc2Br)C[NH2+]1 ZINC000019735786 182140349 /nfs/dbraw/zinc/14/03/49/182140349.db2.gz FDURUGIATVZQHK-KOLCDFICSA-N 1 2 314.179 2.040 50 0 DEAALO CCOC(=O)N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000019851067 182157637 /nfs/dbraw/zinc/15/76/37/182157637.db2.gz VFBWFDKKLOJBBS-AWEZNQCLSA-N 1 2 312.797 2.148 50 0 DEAALO Cn1cccc1C[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000020064291 182184117 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ZINC000022383527 182319998 /nfs/dbraw/zinc/31/99/98/182319998.db2.gz HTLNPVMSZHRXEI-LBPRGKRZSA-N 1 2 303.362 2.092 50 0 DEAALO CCc1ccc(C[N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000040555877 183101569 /nfs/dbraw/zinc/10/15/69/183101569.db2.gz QRTNYOBFULYKAQ-UHFFFAOYSA-N 1 2 311.389 2.263 50 0 DEAALO CCc1ccc(C[N@@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000040555877 183101572 /nfs/dbraw/zinc/10/15/72/183101572.db2.gz QRTNYOBFULYKAQ-UHFFFAOYSA-N 1 2 311.389 2.263 50 0 DEAALO O=C(NCCn1cc[nH+]c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000043310616 183354173 /nfs/dbraw/zinc/35/41/73/183354173.db2.gz ACAFBQHOUOYDJA-UHFFFAOYSA-N 1 2 312.373 2.088 50 0 DEAALO CN(C)c1ccc(NC(=O)NCCCNc2cccc[nH+]2)cn1 ZINC000048235414 183630607 /nfs/dbraw/zinc/63/06/07/183630607.db2.gz JIFUKEXUWFTYRT-UHFFFAOYSA-N 1 2 314.393 2.166 50 0 DEAALO Cc1ccc2nc(C[NH+]3CCC(c4ccn[nH]4)CC3)cc(=O)n2c1 ZINC000058265966 184096619 /nfs/dbraw/zinc/09/66/19/184096619.db2.gz BBHVJTSCEDAWMH-UHFFFAOYSA-N 1 2 323.400 2.106 50 0 DEAALO CCCc1c[nH+]c(C)nc1NCc1cccnc1-n1cncn1 ZINC000065435418 184344942 /nfs/dbraw/zinc/34/49/42/184344942.db2.gz BSRWAIHBZCIMGR-UHFFFAOYSA-N 1 2 309.377 2.325 50 0 DEAALO O=C(NCCNc1cccc[nH+]1)N1CCc2sccc2C1 ZINC000065439454 184345714 /nfs/dbraw/zinc/34/57/14/184345714.db2.gz PEGLQXZPQIFZIC-UHFFFAOYSA-N 1 2 302.403 2.323 50 0 DEAALO Cc1cccn2cc(CC(=O)N[C@H]3CCCc4c3cnn4C)[nH+]c12 ZINC000065604682 184371446 /nfs/dbraw/zinc/37/14/46/184371446.db2.gz ZQBRODNQBPRCAQ-HNNXBMFYSA-N 1 2 323.400 2.113 50 0 DEAALO CC[C@H](CNC(=O)CN1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000065496487 184354870 /nfs/dbraw/zinc/35/48/70/184354870.db2.gz DYBDJNGGPPKRJM-OAHLLOKOSA-N 1 2 312.417 2.009 50 0 DEAALO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000547481276 285588418 /nfs/dbraw/zinc/58/84/18/285588418.db2.gz NKYNWYALSSAVIG-AWEZNQCLSA-N 1 2 323.400 2.132 50 0 DEAALO Cc1cc(N)nc(SCC(=O)N2CCCc3ccccc32)[nH+]1 ZINC000007047811 401735749 /nfs/dbraw/zinc/73/57/49/401735749.db2.gz UOLLSKPFHRXSJB-UHFFFAOYSA-N 1 2 314.414 2.439 50 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COc1cc(-c2nc(Cn3cc[nH+]c3)no2)cc(OC)c1OC ZINC000065288306 184323078 /nfs/dbraw/zinc/32/30/78/184323078.db2.gz BQNILQFSXCILGY-UHFFFAOYSA-N 1 2 316.317 2.007 50 0 DEAALO Cn1ccnc1C[N@H+](CCO)Cc1ccc(C(F)(F)F)cc1 ZINC000065374065 184330599 /nfs/dbraw/zinc/33/05/99/184330599.db2.gz QEOIVHKPRAEWBX-UHFFFAOYSA-N 1 2 313.323 2.433 50 0 DEAALO Cn1ccnc1C[N@@H+](CCO)Cc1ccc(C(F)(F)F)cc1 ZINC000065374065 184330600 /nfs/dbraw/zinc/33/06/00/184330600.db2.gz QEOIVHKPRAEWBX-UHFFFAOYSA-N 1 2 313.323 2.433 50 0 DEAALO Cn1cc[nH+]c1CN(CCO)Cc1ccc(C(F)(F)F)cc1 ZINC000065374065 184330601 /nfs/dbraw/zinc/33/06/01/184330601.db2.gz QEOIVHKPRAEWBX-UHFFFAOYSA-N 1 2 313.323 2.433 50 0 DEAALO Cc1c[nH+]c(NCCc2n[nH]c3c2CCCC3)nc1N(C)C ZINC000065405501 184337876 /nfs/dbraw/zinc/33/78/76/184337876.db2.gz WOVYSXVRXDPNKI-UHFFFAOYSA-N 1 2 300.410 2.108 50 0 DEAALO Cc1c[nH+]c(NCCc2[nH]nc3c2CCCC3)nc1N(C)C ZINC000065405501 184337878 /nfs/dbraw/zinc/33/78/78/184337878.db2.gz WOVYSXVRXDPNKI-UHFFFAOYSA-N 1 2 300.410 2.108 50 0 DEAALO CC(C)c1ccccc1N1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000006658594 401732203 /nfs/dbraw/zinc/73/22/03/401732203.db2.gz NUSNSNZKNWUWEJ-OLZOCXBDSA-N 1 2 310.444 2.464 50 0 DEAALO COC(=O)[C@H](CC(C)C)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000007200602 401737304 /nfs/dbraw/zinc/73/73/04/401737304.db2.gz SJMQTNILLNBDBH-AWEZNQCLSA-N 1 2 317.389 2.049 50 0 DEAALO C[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1F ZINC000007910735 401745800 /nfs/dbraw/zinc/74/58/00/401745800.db2.gz MMDOJGWYQSCTHP-UHFFFAOYSA-N 1 2 307.369 2.026 50 0 DEAALO C[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1F ZINC000007910735 401745804 /nfs/dbraw/zinc/74/58/04/401745804.db2.gz MMDOJGWYQSCTHP-UHFFFAOYSA-N 1 2 307.369 2.026 50 0 DEAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000000130265 401688332 /nfs/dbraw/zinc/68/83/32/401688332.db2.gz DDSVXYULRLRKFN-UHFFFAOYSA-N 1 2 323.396 2.327 50 0 DEAALO Cn1c(CSc2nc3c([n-]2)nc[nH+]c3N)[nH+]c2ccccc21 ZINC000000172587 401689088 /nfs/dbraw/zinc/68/90/88/401689088.db2.gz ODNXZKWUDQQZFH-UHFFFAOYSA-N 1 2 311.374 2.114 50 0 DEAALO C[C@@H](CNC(=O)c1cccc2ccccc21)[NH+]1CCN(C)CC1 ZINC000071867441 401689295 /nfs/dbraw/zinc/68/92/95/401689295.db2.gz FYYWBYQHFXUILR-HNNXBMFYSA-N 1 2 311.429 2.206 50 0 DEAALO C[C@@H](C(=O)N1CCC[C@H]1Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000071874837 401690529 /nfs/dbraw/zinc/69/05/29/401690529.db2.gz NJEOJBAESTUDGK-YOEHRIQHSA-N 1 2 320.408 2.080 50 0 DEAALO O[C@@H](COc1cccc2ccccc21)C[NH+]1CC(n2cccn2)C1 ZINC000071877117 401690727 /nfs/dbraw/zinc/69/07/27/401690727.db2.gz WRYDVDSDMCLABU-QGZVFWFLSA-N 1 2 323.396 2.333 50 0 DEAALO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnnn2C2CC2)C12CCCC2 ZINC000071920965 401697515 /nfs/dbraw/zinc/69/75/15/401697515.db2.gz FGNMOJOMRMPEFW-KGLIPLIRSA-N 1 2 305.426 2.178 50 0 DEAALO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnnn2C2CC2)C12CCCC2 ZINC000071920965 401697517 /nfs/dbraw/zinc/69/75/17/401697517.db2.gz FGNMOJOMRMPEFW-KGLIPLIRSA-N 1 2 305.426 2.178 50 0 DEAALO CCCOc1cc(C)ccc1NC(=O)NCC[NH+]1CCOCC1 ZINC000071942314 401698454 /nfs/dbraw/zinc/69/84/54/401698454.db2.gz FDDVLXDYXHKOIK-UHFFFAOYSA-N 1 2 321.421 2.238 50 0 DEAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3-c2ccccc2)C[C@@H](C)O1 ZINC000000544613 401700758 /nfs/dbraw/zinc/70/07/58/401700758.db2.gz VVAOCWGSSLOYEU-CHWSQXEVSA-N 1 2 309.373 2.429 50 0 DEAALO CCC[C@@]1(CO)CCCN(c2[nH+]cnc3c2c(C)nn3C)C1 ZINC000072470137 401709789 /nfs/dbraw/zinc/70/97/89/401709789.db2.gz PLCCFOOIXHHGFL-MRXNPFEDSA-N 1 2 303.410 2.051 50 0 DEAALO CC1=C(C(N)=O)[C@H](c2ccc(Cl)c(Cl)c2)N2NC=NC2=[NH+]1 ZINC000013125243 401797300 /nfs/dbraw/zinc/79/73/00/401797300.db2.gz PSTRAPBZZFQQOT-NSHDSACASA-N 1 2 324.171 2.012 50 0 DEAALO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1ccccc1F ZINC000014014968 401805690 /nfs/dbraw/zinc/80/56/90/401805690.db2.gz QISGTCLKCWCJHK-INIZCTEOSA-N 1 2 314.360 2.117 50 0 DEAALO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1F ZINC000014014968 401805691 /nfs/dbraw/zinc/80/56/91/401805691.db2.gz QISGTCLKCWCJHK-INIZCTEOSA-N 1 2 314.360 2.117 50 0 DEAALO 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Cc1noc(C)c1C[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000065681380 184376315 /nfs/dbraw/zinc/37/63/15/184376315.db2.gz QCFQJTQOTCQELD-SFHVURJKSA-N 1 2 315.417 2.143 50 0 DEAALO O=C1C[C@H](c2ccccc2)[N@H+](Cc2nc(C3CC3)no2)CCN1 ZINC000071822582 296350095 /nfs/dbraw/zinc/35/00/95/296350095.db2.gz SLPHITQUEYYRQO-CQSZACIVSA-N 1 2 312.373 2.010 50 0 DEAALO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2nc(C3CC3)no2)CCN1 ZINC000071822582 296350098 /nfs/dbraw/zinc/35/00/98/296350098.db2.gz SLPHITQUEYYRQO-CQSZACIVSA-N 1 2 312.373 2.010 50 0 DEAALO CC(C)c1[nH]c2ccc(NC(=O)CCCn3cnnn3)cc2[nH+]1 ZINC000524735010 257213220 /nfs/dbraw/zinc/21/32/20/257213220.db2.gz YXSIPYBHXLLKHX-UHFFFAOYSA-N 1 2 313.365 2.092 50 0 DEAALO CC(C)c1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)no1 ZINC000121800758 195350761 /nfs/dbraw/zinc/35/07/61/195350761.db2.gz ASUFBWXGXZJQHI-CQSZACIVSA-N 1 2 321.421 2.125 50 0 DEAALO Cc1n[nH]cc1C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000376475782 133296151 /nfs/dbraw/zinc/29/61/51/133296151.db2.gz 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/nfs/dbraw/zinc/74/44/57/401744457.db2.gz HSDGTUQCXPWITE-UHFFFAOYSA-N 1 2 322.430 2.448 50 0 DEAALO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007856417 401745036 /nfs/dbraw/zinc/74/50/36/401745036.db2.gz DRXXEFQRXKRPSW-HNNXBMFYSA-N 1 2 315.421 2.151 50 0 DEAALO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007856417 401745038 /nfs/dbraw/zinc/74/50/38/401745038.db2.gz DRXXEFQRXKRPSW-HNNXBMFYSA-N 1 2 315.421 2.151 50 0 DEAALO Cc1cc(N)nc(S[C@H]2CCN(c3ccccc3F)C2=O)[nH+]1 ZINC000071899870 401694313 /nfs/dbraw/zinc/69/43/13/401694313.db2.gz OBMGBOFGUVBZBX-LBPRGKRZSA-N 1 2 318.377 2.404 50 0 DEAALO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000002650585 401716745 /nfs/dbraw/zinc/71/67/45/401716745.db2.gz OIXAWEDXZJXISR-HNNXBMFYSA-N 1 2 310.401 2.231 50 0 DEAALO CN(C)c1nc(N)nc(C[N@H+](C)[C@H]2CCCc3ccccc32)n1 ZINC000014014638 401805737 /nfs/dbraw/zinc/80/57/37/401805737.db2.gz RYNISDRJMPRVMD-AWEZNQCLSA-N 1 2 312.421 2.029 50 0 DEAALO CN(C)c1nc(N)nc(C[N@@H+](C)[C@H]2CCCc3ccccc32)n1 ZINC000014014638 401805739 /nfs/dbraw/zinc/80/57/39/401805739.db2.gz RYNISDRJMPRVMD-AWEZNQCLSA-N 1 2 312.421 2.029 50 0 DEAALO O=C(CCn1cc[nH+]c1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000008216822 401749895 /nfs/dbraw/zinc/74/98/95/401749895.db2.gz AFNLXCRCSVZASM-UHFFFAOYSA-N 1 2 316.405 2.068 50 0 DEAALO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000075130943 401751140 /nfs/dbraw/zinc/75/11/40/401751140.db2.gz ACTBGAUKFNBERA-CYBMUJFWSA-N 1 2 324.388 2.194 50 0 DEAALO O=C(c1ccc(Cl)s1)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000075158028 401752612 /nfs/dbraw/zinc/75/26/12/401752612.db2.gz NELOUVZMVOJWHT-UHFFFAOYSA-N 1 2 324.837 2.056 50 0 DEAALO Cc1ccc(C[N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000008705342 401755266 /nfs/dbraw/zinc/75/52/66/401755266.db2.gz QMRZMYMAGILKDS-UHFFFAOYSA-N 1 2 316.357 2.065 50 0 DEAALO Cc1ccc(C[N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000008705342 401755268 /nfs/dbraw/zinc/75/52/68/401755268.db2.gz 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401780560 /nfs/dbraw/zinc/78/05/60/401780560.db2.gz JYTCWNPJMNNMBF-HNNXBMFYSA-N 1 2 322.474 2.394 50 0 DEAALO Cc1cccc(C)c1N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000020405128 401823685 /nfs/dbraw/zinc/82/36/85/401823685.db2.gz VWYXTBSYLBLTRM-CYBMUJFWSA-N 1 2 302.340 2.349 50 0 DEAALO COc1c2c(cc3c1[C@H](n1nc(C)cc1C)[N@H+](C)CC3)OCO2 ZINC000020758053 401825032 /nfs/dbraw/zinc/82/50/32/401825032.db2.gz JQQASTAMFOAACM-KRWDZBQOSA-N 1 2 315.373 2.272 50 0 biogenic DEAALO COc1c2c(cc3c1[C@H](n1nc(C)cc1C)[N@@H+](C)CC3)OCO2 ZINC000020758053 401825036 /nfs/dbraw/zinc/82/50/36/401825036.db2.gz JQQASTAMFOAACM-KRWDZBQOSA-N 1 2 315.373 2.272 50 0 biogenic DEAALO Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@H](C)OC[C@@H]2C)c(C)c1 ZINC000027643550 401846875 /nfs/dbraw/zinc/84/68/75/401846875.db2.gz RRHWYPLOTTVQFJ-KBPBESRZSA-N 1 2 319.405 2.061 50 0 DEAALO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C)OC[C@@H]2C)c(C)c1 ZINC000027643550 401846878 /nfs/dbraw/zinc/84/68/78/401846878.db2.gz RRHWYPLOTTVQFJ-KBPBESRZSA-N 1 2 319.405 2.061 50 0 DEAALO CCc1noc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 ZINC000027953448 401848524 /nfs/dbraw/zinc/84/85/24/401848524.db2.gz QODAQRSDNAWOIB-CYBMUJFWSA-N 1 2 314.389 2.483 50 0 DEAALO CCc1noc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 ZINC000027953448 401848526 /nfs/dbraw/zinc/84/85/26/401848526.db2.gz QODAQRSDNAWOIB-CYBMUJFWSA-N 1 2 314.389 2.483 50 0 DEAALO O=C(c1cccs1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000028966042 401853648 /nfs/dbraw/zinc/85/36/48/401853648.db2.gz PEEZNPWRPHXKFG-GFCCVEGCSA-N 1 2 322.455 2.301 50 0 DEAALO CCCc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)[nH]n1 ZINC000030027735 401861142 /nfs/dbraw/zinc/86/11/42/401861142.db2.gz PDSHMBHIGGADAA-UHFFFAOYSA-N 1 2 318.446 2.382 50 0 DEAALO CS[C@@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000040525030 401925877 /nfs/dbraw/zinc/92/58/77/401925877.db2.gz AMXKSIKMNPERAU-ZDUSSCGKSA-N 1 2 322.478 2.309 50 0 DEAALO CC[C@](C)(CNC(=O)c1c(C)noc1C(C)C)[NH+]1CCOCC1 ZINC000031925173 401875155 /nfs/dbraw/zinc/87/51/55/401875155.db2.gz 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CC(C)Oc1ccc([C@H](C(=O)[O-])[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000095381192 402030551 /nfs/dbraw/zinc/03/05/51/402030551.db2.gz HAOHYENXWLIHMB-MRXNPFEDSA-N 1 2 317.389 2.428 50 0 DEAALO CC(C)Oc1ccc([C@H](C(=O)[O-])[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000095381192 402030552 /nfs/dbraw/zinc/03/05/52/402030552.db2.gz HAOHYENXWLIHMB-MRXNPFEDSA-N 1 2 317.389 2.428 50 0 DEAALO Cc1c(F)cccc1S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000095961836 402037160 /nfs/dbraw/zinc/03/71/60/402037160.db2.gz YKFZHINEGBKMKH-UHFFFAOYSA-N 1 2 319.361 2.260 50 0 DEAALO CCc1c[nH]c(S(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000095966457 402037890 /nfs/dbraw/zinc/03/78/90/402037890.db2.gz LNOBHYGQBIDYJD-UHFFFAOYSA-N 1 2 324.793 2.247 50 0 DEAALO CC[C@@H](C)OCC(=O)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095981848 402042127 /nfs/dbraw/zinc/04/21/27/402042127.db2.gz YGLIZFQIMXZWHN-CYBMUJFWSA-N 1 2 316.405 2.027 50 0 DEAALO CN(Cc1ccn(-c2ccccc2)n1)c1[nH+]cnc2c1cnn2C ZINC000052473706 402043052 /nfs/dbraw/zinc/04/30/52/402043052.db2.gz 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CC(C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008707934 401755354 /nfs/dbraw/zinc/75/53/54/401755354.db2.gz VPOGKUCZYGMICQ-CYBMUJFWSA-N 1 2 309.841 2.375 50 0 DEAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C1CCCCC1 ZINC000011126356 401772750 /nfs/dbraw/zinc/77/27/50/401772750.db2.gz LMYBHTBCQUEQPG-UHFFFAOYSA-N 1 2 303.406 2.115 50 0 DEAALO CC[C@@H](C)Nc1nc(N2CCOCC2)nc(N[C@@H](C)CC)[nH+]1 ZINC000018142155 401821851 /nfs/dbraw/zinc/82/18/51/401821851.db2.gz PFJPWMYPHMCVFV-TXEJJXNPSA-N 1 2 308.430 2.129 50 0 DEAALO CC[C@@H](C)Nc1nc(N[C@@H](C)CC)nc(N2CCOCC2)[nH+]1 ZINC000018142155 401821854 /nfs/dbraw/zinc/82/18/54/401821854.db2.gz PFJPWMYPHMCVFV-TXEJJXNPSA-N 1 2 308.430 2.129 50 0 DEAALO CC[C@@H](C)Nc1nc(N[C@@H](C)CC)[nH+]c(N2CCOCC2)n1 ZINC000018142155 401821856 /nfs/dbraw/zinc/82/18/56/401821856.db2.gz PFJPWMYPHMCVFV-TXEJJXNPSA-N 1 2 308.430 2.129 50 0 DEAALO CC(C)OCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000079353314 401872118 /nfs/dbraw/zinc/87/21/18/401872118.db2.gz 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Cc1cc([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)[nH]n1 ZINC000072301115 401708107 /nfs/dbraw/zinc/70/81/07/401708107.db2.gz MLUSETFUUCPLSW-BBRMVZONSA-N 1 2 316.380 2.263 50 0 DEAALO Cc1cc([C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)[nH]n1 ZINC000072301115 401708110 /nfs/dbraw/zinc/70/81/10/401708110.db2.gz MLUSETFUUCPLSW-BBRMVZONSA-N 1 2 316.380 2.263 50 0 DEAALO Cc1cc([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)n[nH]1 ZINC000072301115 401708112 /nfs/dbraw/zinc/70/81/12/401708112.db2.gz MLUSETFUUCPLSW-BBRMVZONSA-N 1 2 316.380 2.263 50 0 DEAALO Cc1cc([C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)n[nH]1 ZINC000072301115 401708114 /nfs/dbraw/zinc/70/81/14/401708114.db2.gz MLUSETFUUCPLSW-BBRMVZONSA-N 1 2 316.380 2.263 50 0 DEAALO O=C(Cc1ccc(Br)cc1)NCCCn1cc[nH+]c1 ZINC000002773213 401718178 /nfs/dbraw/zinc/71/81/78/401718178.db2.gz GOSJCVYHMDOHRT-UHFFFAOYSA-N 1 2 322.206 2.395 50 0 DEAALO S=C(NC1CC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000013767606 401804408 /nfs/dbraw/zinc/80/44/08/401804408.db2.gz JPHZSVMGAGJDAU-UHFFFAOYSA-N 1 2 309.866 2.495 50 0 DEAALO O=c1nc(CSC2=[NH+][C@H]3CCCC[C@H]3N2)[nH]c2ccsc21 ZINC000009548187 401763496 /nfs/dbraw/zinc/76/34/96/401763496.db2.gz XKQQVHWELOCCTL-DTORHVGOSA-N 1 2 320.443 2.488 50 0 DEAALO Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077301657 401809755 /nfs/dbraw/zinc/80/97/55/401809755.db2.gz MIYXKNNLVCTGBK-CQSZACIVSA-N 1 2 323.400 2.315 50 0 DEAALO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2nnnn2C2CC2)c1 ZINC000075838494 401769970 /nfs/dbraw/zinc/76/99/70/401769970.db2.gz WENFACMRFYUMCI-MRXNPFEDSA-N 1 2 312.421 2.411 50 0 DEAALO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2nnnn2C2CC2)c1 ZINC000075838494 401769973 /nfs/dbraw/zinc/76/99/73/401769973.db2.gz WENFACMRFYUMCI-MRXNPFEDSA-N 1 2 312.421 2.411 50 0 DEAALO COc1cccc(C(=O)CSc2[nH+]cnc3c2cnn3C)c1 ZINC000011677715 401775664 /nfs/dbraw/zinc/77/56/64/401775664.db2.gz KSENWJNQNWIHIL-UHFFFAOYSA-N 1 2 314.370 2.347 50 0 DEAALO CCc1nnc(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000076089624 401781908 /nfs/dbraw/zinc/78/19/08/401781908.db2.gz GVMFEVPGOSRMLR-LLVKDONJSA-N 1 2 310.398 2.121 50 0 DEAALO CCc1nnc(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000076089624 401781910 /nfs/dbraw/zinc/78/19/10/401781910.db2.gz GVMFEVPGOSRMLR-LLVKDONJSA-N 1 2 310.398 2.121 50 0 DEAALO COC(=O)c1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000012525566 401787268 /nfs/dbraw/zinc/78/72/68/401787268.db2.gz AQBLPTGRAKZXTR-UHFFFAOYSA-N 1 2 309.325 2.302 50 0 DEAALO COc1cc(OC)cc(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000012587697 401789021 /nfs/dbraw/zinc/78/90/21/401789021.db2.gz WVYVHBJKMJCOKS-UHFFFAOYSA-N 1 2 311.341 2.282 50 0 DEAALO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000013061344 401795760 /nfs/dbraw/zinc/79/57/60/401795760.db2.gz KFDKFKDROOHGNG-ZDUSSCGKSA-N 1 2 309.841 2.377 50 0 DEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000013111329 401796448 /nfs/dbraw/zinc/79/64/48/401796448.db2.gz HMYLNWPJWLOBQX-UHFFFAOYSA-N 1 2 316.426 2.290 50 0 DEAALO Cc1nc([C@@H](C)NC(=O)NCCCCn2cc[nH+]c2)cs1 ZINC000078663493 401861066 /nfs/dbraw/zinc/86/10/66/401861066.db2.gz SMTKGGNPNHGCBL-LLVKDONJSA-N 1 2 307.423 2.489 50 0 DEAALO C/C=C/CSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000078797196 401866246 /nfs/dbraw/zinc/86/62/46/401866246.db2.gz PYZCYWQYQPTRHU-NSCUHMNNSA-N 1 2 305.447 2.430 50 0 DEAALO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)NCc2cccs2)CC1 ZINC000015025009 401815123 /nfs/dbraw/zinc/81/51/23/401815123.db2.gz QFONKLHGHOVLBF-GFCCVEGCSA-N 1 2 324.446 2.028 50 0 DEAALO Brc1ccc(-n2nnnc2/C=C\[NH+]2CCCC2)cc1 ZINC000032226482 401877475 /nfs/dbraw/zinc/87/74/75/401877475.db2.gz QAMYROOBWWETBI-YFHOEESVSA-N 1 2 320.194 2.491 50 0 DEAALO Cc1cc(F)ccc1S(=O)(=O)N(Cc1[nH+]ccn1C)C1CC1 ZINC000032932938 401886227 /nfs/dbraw/zinc/88/62/27/401886227.db2.gz JMABETHUUTUDBU-UHFFFAOYSA-N 1 2 323.393 2.221 50 0 DEAALO O=C(CC1CCCCC1)N1CC[NH+](C[C@H](O)c2ccco2)CC1 ZINC000085436732 401916038 /nfs/dbraw/zinc/91/60/38/401916038.db2.gz 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401941623 /nfs/dbraw/zinc/94/16/23/401941623.db2.gz COKBKPMMTONRMF-ZDUSSCGKSA-N 1 2 324.425 2.493 50 0 DEAALO COC(=O)[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H](C)O1 ZINC000089496930 401950308 /nfs/dbraw/zinc/95/03/08/401950308.db2.gz JTOHXOYYQZBNFE-MLGOLLRUSA-N 1 2 316.357 2.104 50 0 DEAALO COC(=O)[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H](C)O1 ZINC000089496930 401950309 /nfs/dbraw/zinc/95/03/09/401950309.db2.gz JTOHXOYYQZBNFE-MLGOLLRUSA-N 1 2 316.357 2.104 50 0 DEAALO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H](C)O1 ZINC000044914672 401950427 /nfs/dbraw/zinc/95/04/27/401950427.db2.gz OBUCYFSKNKHMDV-OKILXGFUSA-N 1 2 318.421 2.001 50 0 DEAALO COc1c(F)ccc(-c2cn(CCc3c[nH]c[nH+]3)nn2)c1F ZINC000095362503 402027779 /nfs/dbraw/zinc/02/77/79/402027779.db2.gz FKRHPOQRKUSHQP-UHFFFAOYSA-N 1 2 305.288 2.198 50 0 DEAALO COc1c(F)ccc(-c2cn(CCc3c[nH+]c[nH]3)nn2)c1F ZINC000095362503 402027781 /nfs/dbraw/zinc/02/77/81/402027781.db2.gz FKRHPOQRKUSHQP-UHFFFAOYSA-N 1 2 305.288 2.198 50 0 DEAALO 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/nfs/dbraw/zinc/07/71/76/402077176.db2.gz NLWNZXZYNIXYEN-ZDUSSCGKSA-N 1 2 309.841 2.377 50 0 DEAALO Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)[nH]n1 ZINC000096406367 402078839 /nfs/dbraw/zinc/07/88/39/402078839.db2.gz DPQCCKKVUQRWAT-ZDUSSCGKSA-N 1 2 308.332 2.029 50 0 DEAALO CCO[C@H]1C[C@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1(C)C ZINC000096415223 402080798 /nfs/dbraw/zinc/08/07/98/402080798.db2.gz UALTYOBOAWJBCS-KBPBESRZSA-N 1 2 320.437 2.150 50 0 DEAALO Cc1ccccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000055562783 402084481 /nfs/dbraw/zinc/08/44/81/402084481.db2.gz XIZHJYJFWRHYKP-UHFFFAOYSA-N 1 2 323.440 2.433 50 0 DEAALO CC[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCS1 ZINC000096437748 402086860 /nfs/dbraw/zinc/08/68/60/402086860.db2.gz HYGQTQSOTMRDRK-CQSZACIVSA-N 1 2 322.478 2.299 50 0 DEAALO CC(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000056945330 402091412 /nfs/dbraw/zinc/09/14/12/402091412.db2.gz PXBIEIIZFNCNIA-QGZVFWFLSA-N 1 2 313.401 2.279 50 0 DEAALO CC(C)N(Cc1cnn(C)c1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058343207 402100136 /nfs/dbraw/zinc/10/01/36/402100136.db2.gz GGBDSQHXZRHRGJ-UHFFFAOYSA-N 1 2 324.388 2.052 50 0 DEAALO Cc1cccn2c(CNc3ccc(S(C)(=O)=O)nc3)c[nH+]c12 ZINC000097115588 402109858 /nfs/dbraw/zinc/10/98/58/402109858.db2.gz NPXMHAJZAALQRB-UHFFFAOYSA-N 1 2 316.386 2.053 50 0 DEAALO CCn1cc[nH+]c1C1CCN(C(=O)c2ccnc(NC)c2)CC1 ZINC000097370272 402122130 /nfs/dbraw/zinc/12/21/30/402122130.db2.gz AWIITCDXDZCQND-UHFFFAOYSA-N 1 2 313.405 2.360 50 0 DEAALO Cc1[nH+]c2n(c1C)CCN(C[C@H](O)c1cc(F)ccc1F)C2 ZINC000097201698 402116725 /nfs/dbraw/zinc/11/67/25/402116725.db2.gz GWJQOFZNTSGNQU-HNNXBMFYSA-N 1 2 307.344 2.327 50 0 DEAALO Cc1ccc([C@H](NC(=O)CN2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000097201218 402116797 /nfs/dbraw/zinc/11/67/97/402116797.db2.gz FNLFYFJONPGTLE-IBGZPJMESA-N 1 2 324.428 2.275 50 0 DEAALO Cc1cc(C[NH+]2CCN(c3ncnc4ccccc43)CC2)on1 ZINC000054369388 402067355 /nfs/dbraw/zinc/06/73/55/402067355.db2.gz GIROQLIURPBHIH-UHFFFAOYSA-N 1 2 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COc1cccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000521394301 257241472 /nfs/dbraw/zinc/24/14/72/257241472.db2.gz IETDQMVXNCVSKS-UHFFFAOYSA-N 1 2 312.360 2.402 50 0 DEAALO C[C@@H]1CCO[C@]2(O1)c1ccccc1N(C[NH+]1CCCCC1)C2=O ZINC000004727782 401727513 /nfs/dbraw/zinc/72/75/13/401727513.db2.gz YYCVQZOWACJDPU-KDOFPFPSSA-N 1 2 316.401 2.455 50 0 DEAALO COC[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000074534361 401741811 /nfs/dbraw/zinc/74/18/11/401741811.db2.gz REGHTGZCYKSMFE-AWEZNQCLSA-N 1 2 308.426 2.107 50 0 DEAALO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000071900536 401694290 /nfs/dbraw/zinc/69/42/90/401694290.db2.gz PKTNPGAAXPITNH-LBPRGKRZSA-N 1 2 318.402 2.322 50 0 DEAALO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1nncs1 ZINC000071900536 401694292 /nfs/dbraw/zinc/69/42/92/401694292.db2.gz PKTNPGAAXPITNH-LBPRGKRZSA-N 1 2 318.402 2.322 50 0 DEAALO CCn1ccnc1C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000072093905 401703558 /nfs/dbraw/zinc/70/35/58/401703558.db2.gz DFBKLKXPKUCZPY-UHFFFAOYSA-N 1 2 305.378 2.219 50 0 DEAALO CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)ccn1 ZINC000072287252 401706645 /nfs/dbraw/zinc/70/66/45/401706645.db2.gz MNYJNBBMNQKGNM-UHFFFAOYSA-N 1 2 309.329 2.313 50 0 DEAALO CCOC(=O)c1ccc(NC(=S)NCCc2c[nH+]c[nH]2)cc1 ZINC000002202100 401712201 /nfs/dbraw/zinc/71/22/01/401712201.db2.gz GCTKKWKXLQSPLU-UHFFFAOYSA-N 1 2 318.402 2.116 50 0 DEAALO CCOC(=O)c1ccc(NC(=S)NCCc2c[nH]c[nH+]2)cc1 ZINC000002202100 401712203 /nfs/dbraw/zinc/71/22/03/401712203.db2.gz GCTKKWKXLQSPLU-UHFFFAOYSA-N 1 2 318.402 2.116 50 0 DEAALO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000014193030 401808947 /nfs/dbraw/zinc/80/89/47/401808947.db2.gz LMKFTBXRDYWVFZ-OAHLLOKOSA-N 1 2 308.809 2.163 50 0 DEAALO CCOC(=O)c1ccoc1CSc1[nH+]cnc2c1cnn2C ZINC000011681366 401775637 /nfs/dbraw/zinc/77/56/37/401775637.db2.gz KJXKOJHSRAHXPP-UHFFFAOYSA-N 1 2 318.358 2.425 50 0 DEAALO C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccsc1 ZINC000076052740 401779215 /nfs/dbraw/zinc/77/92/15/401779215.db2.gz QDJDAJDRRVFDDG-YDHLFZDLSA-N 1 2 308.447 2.031 50 0 DEAALO Cn1ncc2c1nc[nH+]c2N1CCc2[nH]c3ccccc3c2C1 ZINC000012486851 401786808 /nfs/dbraw/zinc/78/68/08/401786808.db2.gz PCQHPCCFJPTMEK-UHFFFAOYSA-N 1 2 304.357 2.407 50 0 DEAALO CCc1ccc(C[N@H+](C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000012756494 401791018 /nfs/dbraw/zinc/79/10/18/401791018.db2.gz QPLOOFUUDWDADP-GFCCVEGCSA-N 1 2 314.437 2.275 50 0 DEAALO CCc1ccc(C[N@@H+](C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000012756494 401791020 /nfs/dbraw/zinc/79/10/20/401791020.db2.gz QPLOOFUUDWDADP-GFCCVEGCSA-N 1 2 314.437 2.275 50 0 DEAALO O=C1C[C@H]([NH2+]Cc2nc(-c3ccco3)no2)CN1c1ccccc1 ZINC000077536891 401819143 /nfs/dbraw/zinc/81/91/43/401819143.db2.gz YFKGHVMEWKCFLQ-LBPRGKRZSA-N 1 2 324.340 2.225 50 0 DEAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)CCC2 ZINC000018223047 401821880 /nfs/dbraw/zinc/82/18/80/401821880.db2.gz KSRBNBSBLOKDKM-UHFFFAOYSA-N 1 2 323.400 2.026 50 0 DEAALO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c1C ZINC000020417798 401823665 /nfs/dbraw/zinc/82/36/65/401823665.db2.gz UOXOPGWBRMYHGL-UHFFFAOYSA-N 1 2 324.428 2.459 50 0 DEAALO O=C1c2ccccc2C(=O)N1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000024758613 401830339 /nfs/dbraw/zinc/83/03/39/401830339.db2.gz RJCFKKXXDMTNFD-MRXNPFEDSA-N 1 2 307.353 2.472 50 0 DEAALO O=C1c2ccccc2C(=O)N1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000024758613 401830342 /nfs/dbraw/zinc/83/03/42/401830342.db2.gz RJCFKKXXDMTNFD-MRXNPFEDSA-N 1 2 307.353 2.472 50 0 DEAALO CN(C)c1ccc(CCCNc2[nH+]cnc3c2cnn3C)cc1 ZINC000025567136 401835550 /nfs/dbraw/zinc/83/55/50/401835550.db2.gz ZYWMTPZZCJVXDB-UHFFFAOYSA-N 1 2 310.405 2.474 50 0 DEAALO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC000026470025 401841129 /nfs/dbraw/zinc/84/11/29/401841129.db2.gz WDUTUJWGBLRTKS-HZPDHXFCSA-N 1 2 303.450 2.420 50 0 DEAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](O)C2)no1 ZINC000027343824 401844595 /nfs/dbraw/zinc/84/45/95/401844595.db2.gz VILBXWZXTUGDRA-GDBMZVCRSA-N 1 2 315.373 2.120 50 0 DEAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](O)C2)no1 ZINC000027343824 401844598 /nfs/dbraw/zinc/84/45/98/401844598.db2.gz VILBXWZXTUGDRA-GDBMZVCRSA-N 1 2 315.373 2.120 50 0 DEAALO Cc1c(C)n(C[C@@H](O)CN2CC[NH+](C)CC2)c2ccc(C)cc12 ZINC000028297079 401851223 /nfs/dbraw/zinc/85/12/23/401851223.db2.gz CFWSESJFJBWWHC-KRWDZBQOSA-N 1 2 315.461 2.175 50 0 DEAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc(C2CC2)n[nH]1 ZINC000031316948 401869805 /nfs/dbraw/zinc/86/98/05/401869805.db2.gz ARIBKPFXDGSMCI-UHFFFAOYSA-N 1 2 311.389 2.212 50 0 DEAALO COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000041487854 401928718 /nfs/dbraw/zinc/92/87/18/401928718.db2.gz FIGMCZSULOZSMH-NSHDSACASA-N 1 2 322.796 2.433 50 0 DEAALO COc1ccc2ncn(Cc3[nH]c4ccc(F)cc4[nH+]3)c(=O)c2c1 ZINC000032561049 401879636 /nfs/dbraw/zinc/87/96/36/401879636.db2.gz LOKVULOJEXBGHB-UHFFFAOYSA-N 1 2 324.315 2.469 50 0 DEAALO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000032913840 401885728 /nfs/dbraw/zinc/88/57/28/401885728.db2.gz RRCSEVUDLFSOOH-GFCCVEGCSA-N 1 2 312.435 2.149 50 0 DEAALO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000032913840 401885731 /nfs/dbraw/zinc/88/57/31/401885731.db2.gz RRCSEVUDLFSOOH-GFCCVEGCSA-N 1 2 312.435 2.149 50 0 DEAALO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCCCn1cc[nH+]c1 ZINC000084640697 401908142 /nfs/dbraw/zinc/90/81/42/401908142.db2.gz OJAVCJYOXOUESU-CQSZACIVSA-N 1 2 316.405 2.251 50 0 DEAALO COc1ccc(CNc2[nH+]cnc(-n3cccn3)c2N)cc1C ZINC000089591168 401953232 /nfs/dbraw/zinc/95/32/32/401953232.db2.gz YQYCUDBRAAYEJF-UHFFFAOYSA-N 1 2 310.361 2.174 50 0 DEAALO C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000045547030 401958854 /nfs/dbraw/zinc/95/88/54/401958854.db2.gz XFWKSGDWSZXBCO-CYBMUJFWSA-N 1 2 317.389 2.125 50 0 DEAALO CC(C)OCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000089887821 401970263 /nfs/dbraw/zinc/97/02/63/401970263.db2.gz QYSWEQVYXRAHSX-UHFFFAOYSA-N 1 2 306.406 2.272 50 0 DEAALO COc1ccccc1N1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC000048274439 401997136 /nfs/dbraw/zinc/99/71/36/401997136.db2.gz VZMGZAOKAVHMDS-LBPRGKRZSA-N 1 2 302.378 2.270 50 0 DEAALO NC(=O)[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 ZINC000051187558 402032437 /nfs/dbraw/zinc/03/24/37/402032437.db2.gz ZCFRDLRULHHWNQ-INIZCTEOSA-N 1 2 312.369 2.164 50 0 DEAALO Cc1cc(Br)ccc1CC(=O)NCc1[nH]cc[nH+]1 ZINC000095995185 402044990 /nfs/dbraw/zinc/04/49/90/402044990.db2.gz DJZFFXAKEUXEMZ-UHFFFAOYSA-N 1 2 308.179 2.340 50 0 DEAALO C[C@H](CNC(=O)Cc1ccc(O)cc1Cl)Cn1cc[nH+]c1 ZINC000096003840 402045912 /nfs/dbraw/zinc/04/59/12/402045912.db2.gz VAZANWYOJDRVRP-LLVKDONJSA-N 1 2 307.781 2.237 50 0 DEAALO Cc1nc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2nc1C ZINC000053274337 402053769 /nfs/dbraw/zinc/05/37/69/402053769.db2.gz VVMMRODHEUNGNT-UHFFFAOYSA-N 1 2 309.373 2.263 50 0 DEAALO COc1cccc(C[NH+]2CCN(Cc3cc(C)no3)CC2)c1 ZINC000053456218 402056345 /nfs/dbraw/zinc/05/63/45/402056345.db2.gz VDJXIUIXADSQRQ-UHFFFAOYSA-N 1 2 301.390 2.309 50 0 DEAALO COc1cccc(CN2CC[NH+](Cc3cc(C)no3)CC2)c1 ZINC000053456218 402056348 /nfs/dbraw/zinc/05/63/48/402056348.db2.gz VDJXIUIXADSQRQ-UHFFFAOYSA-N 1 2 301.390 2.309 50 0 DEAALO Brc1ccc(-n2nnnc2/C=C/[NH+]2CCCC2)cc1 ZINC000055116698 402076038 /nfs/dbraw/zinc/07/60/38/402076038.db2.gz QAMYROOBWWETBI-JXMROGBWSA-N 1 2 320.194 2.491 50 0 DEAALO CCCn1nnnc1C[N@@H+]1CCC[C@H](COc2ccccc2)C1 ZINC000096411349 402079987 /nfs/dbraw/zinc/07/99/87/402079987.db2.gz KXTOBLZCBNGFCM-HNNXBMFYSA-N 1 2 315.421 2.374 50 0 DEAALO CCCn1nnnc1C[N@H+]1CCC[C@H](COc2ccccc2)C1 ZINC000096411349 402079991 /nfs/dbraw/zinc/07/99/91/402079991.db2.gz KXTOBLZCBNGFCM-HNNXBMFYSA-N 1 2 315.421 2.374 50 0 DEAALO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Cc3ccccc3F)CC2)S1 ZINC000096426949 402083998 /nfs/dbraw/zinc/08/39/98/402083998.db2.gz GLWXCNZTLNPDJJ-GFCCVEGCSA-N 1 2 321.421 2.004 50 0 DEAALO Cc1cnc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cn1 ZINC000097198747 402115411 /nfs/dbraw/zinc/11/54/11/402115411.db2.gz BJOFUONLZOIFGB-GFCCVEGCSA-N 1 2 313.405 2.024 50 0 DEAALO C[C@@H](NC(=O)CN1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000097201486 402116956 /nfs/dbraw/zinc/11/69/56/402116956.db2.gz YPKYJILQIMXSCV-CYBMUJFWSA-N 1 2 324.384 2.322 50 0 DEAALO CCOc1ncccc1CNC(=O)CCc1cn2ccccc2[nH+]1 ZINC000097773144 402132612 /nfs/dbraw/zinc/13/26/12/402132612.db2.gz HBAGBTVFCNCVEZ-UHFFFAOYSA-N 1 2 324.384 2.377 50 0 DEAALO CCc1[nH]nc(C(=O)N2CCC(c3[nH+]ccn3C)CC2)c1C ZINC000097823290 402133315 /nfs/dbraw/zinc/13/33/15/402133315.db2.gz FZGKYTZQVSQCDK-UHFFFAOYSA-N 1 2 301.394 2.034 50 0 DEAALO C[NH+](C)c1ccc(N[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000101129352 402143712 /nfs/dbraw/zinc/14/37/12/402143712.db2.gz HXRNDGTURHLRLR-INIZCTEOSA-N 1 2 309.369 2.497 50 0 DEAALO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(Cn2cccn2)o1 ZINC000067921494 402178845 /nfs/dbraw/zinc/17/88/45/402178845.db2.gz PFQURRJQILWXOK-UHFFFAOYSA-N 1 2 311.345 2.310 50 0 DEAALO CCn1ncnc1CN1CCc2[nH+]c[nH]c2[C@@H]1Cc1ccccc1 ZINC000067695360 402167960 /nfs/dbraw/zinc/16/79/60/402167960.db2.gz IPCQORFFQJAASZ-INIZCTEOSA-N 1 2 322.416 2.363 50 0 DEAALO COc1cccc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)c1 ZINC000069348109 402218637 /nfs/dbraw/zinc/21/86/37/402218637.db2.gz JFWPCNOGPMMSAU-ZDUSSCGKSA-N 1 2 316.405 2.265 50 0 DEAALO CN(CCc1ccccc1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000106905930 402221751 /nfs/dbraw/zinc/22/17/51/402221751.db2.gz OBSYEEBFLDYYCK-INIZCTEOSA-N 1 2 312.417 2.117 50 0 DEAALO CN(CCc1ccccc1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000106905930 402221755 /nfs/dbraw/zinc/22/17/55/402221755.db2.gz OBSYEEBFLDYYCK-INIZCTEOSA-N 1 2 312.417 2.117 50 0 DEAALO COc1ccc(CNC(=O)NCCCn2cc[nH+]c2)cc1C ZINC000069442824 402224165 /nfs/dbraw/zinc/22/41/65/402224165.db2.gz LOSSCFQTCYJJPI-UHFFFAOYSA-N 1 2 302.378 2.090 50 0 DEAALO C[C@@H]1CN(c2cnc3ccccc3n2)CCN1Cc1[nH+]ccn1C ZINC000069444558 402224356 /nfs/dbraw/zinc/22/43/56/402224356.db2.gz RLEAUNHULQAQHF-CQSZACIVSA-N 1 2 322.416 2.074 50 0 DEAALO C[C@@H]1CN(c2cnc3ccccc3n2)CC[N@@H+]1Cc1nccn1C ZINC000069444558 402224359 /nfs/dbraw/zinc/22/43/59/402224359.db2.gz RLEAUNHULQAQHF-CQSZACIVSA-N 1 2 322.416 2.074 50 0 DEAALO C[C@@H]1CN(c2cnc3ccccc3n2)CC[N@H+]1Cc1nccn1C ZINC000069444558 402224361 /nfs/dbraw/zinc/22/43/61/402224361.db2.gz RLEAUNHULQAQHF-CQSZACIVSA-N 1 2 322.416 2.074 50 0 DEAALO COc1ccccc1C[NH+]1CCN([C@@H](C)c2nnc(C)o2)CC1 ZINC000069568197 402231939 /nfs/dbraw/zinc/23/19/39/402231939.db2.gz VNCVNOBJJQUFCX-ZDUSSCGKSA-N 1 2 316.405 2.265 50 0 DEAALO O=C(c1cc(-c2ccco2)n[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069660167 402237226 /nfs/dbraw/zinc/23/72/26/402237226.db2.gz QQKUYQKUTYQAKV-GFCCVEGCSA-N 1 2 311.345 2.344 50 0 DEAALO C[C@@H]1CCc2ccccc2N1C(=O)CN1CCc2c([nH+]cn2C)C1 ZINC000069740430 402241668 /nfs/dbraw/zinc/24/16/68/402241668.db2.gz JKGLWINZAISFJK-CQSZACIVSA-N 1 2 324.428 2.146 50 0 DEAALO CCn1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000069772074 402243080 /nfs/dbraw/zinc/24/30/80/402243080.db2.gz VZVSFOFHZADTCT-MRXNPFEDSA-N 1 2 316.449 2.294 50 0 DEAALO CCn1ccnc1C[N@@H+]1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000069772074 402243081 /nfs/dbraw/zinc/24/30/81/402243081.db2.gz VZVSFOFHZADTCT-MRXNPFEDSA-N 1 2 316.449 2.294 50 0 DEAALO CCn1ccnc1C[N@H+]1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000069772074 402243084 /nfs/dbraw/zinc/24/30/84/402243084.db2.gz VZVSFOFHZADTCT-MRXNPFEDSA-N 1 2 316.449 2.294 50 0 DEAALO CCn1cc[nH+]c1CN1CCCN(C(=O)c2occc2C)CC1 ZINC000069770407 402243158 /nfs/dbraw/zinc/24/31/58/402243158.db2.gz CCQFIXJRJUBZHS-UHFFFAOYSA-N 1 2 316.405 2.153 50 0 DEAALO C[C@@H](Nc1cc(N[C@@H](C)[C@H]2CCCO2)nc[nH+]1)[C@@H]1CCCO1 ZINC000108502873 402255030 /nfs/dbraw/zinc/25/50/30/402255030.db2.gz NVPULYKGDSWTSO-LVEBTZEWSA-N 1 2 306.410 2.435 50 0 DEAALO C[C@@H](Nc1cc(N[C@@H](C)[C@H]2CCCO2)[nH+]cn1)[C@@H]1CCCO1 ZINC000108502873 402255033 /nfs/dbraw/zinc/25/50/33/402255033.db2.gz NVPULYKGDSWTSO-LVEBTZEWSA-N 1 2 306.410 2.435 50 0 DEAALO CCn1cc[nH+]c1CN(C)Cc1cnc(N2CCCCC2)nc1 ZINC000215551407 402284254 /nfs/dbraw/zinc/28/42/54/402284254.db2.gz CJDAKPKIIHOYFI-UHFFFAOYSA-N 1 2 314.437 2.315 50 0 DEAALO 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/nfs/dbraw/zinc/28/20/63/355282063.db2.gz JTULBHOBBUGIGA-NSHDSACASA-N 1 2 300.362 2.194 50 0 DEAALO Cc1cccn2c(C[NH2+][C@H](C)c3nnc4n3CCCC4)cnc12 ZINC000089700464 355541441 /nfs/dbraw/zinc/54/14/41/355541441.db2.gz FSZDBFFTDSFRBL-CYBMUJFWSA-N 1 2 310.405 2.421 50 0 DEAALO Cc1cccn2c(CN[C@H](C)c3nnc4n3CCCC4)c[nH+]c12 ZINC000089700464 355541443 /nfs/dbraw/zinc/54/14/43/355541443.db2.gz FSZDBFFTDSFRBL-CYBMUJFWSA-N 1 2 310.405 2.421 50 0 DEAALO O[C@H](C[N@@H+]1CCO[C@H](c2nccs2)C1)c1cccc(F)c1 ZINC000097199964 355702174 /nfs/dbraw/zinc/70/21/74/355702174.db2.gz VJIXDYXIGCJKOG-KGLIPLIRSA-N 1 2 308.378 2.389 50 0 DEAALO O[C@H](C[N@H+]1CCO[C@H](c2nccs2)C1)c1cccc(F)c1 ZINC000097199964 355702180 /nfs/dbraw/zinc/70/21/80/355702180.db2.gz VJIXDYXIGCJKOG-KGLIPLIRSA-N 1 2 308.378 2.389 50 0 DEAALO CCCc1nc(CN2CC[NH+]([C@@H](C)c3ccccn3)CC2)no1 ZINC000097378394 355704964 /nfs/dbraw/zinc/70/49/64/355704964.db2.gz FICODFZRQWTQOF-AWEZNQCLSA-N 1 2 315.421 2.296 50 0 DEAALO CC(C)c1ccccc1N1C(=[NH2+])S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000136166129 355867323 /nfs/dbraw/zinc/86/73/23/355867323.db2.gz NUSNSNZKNWUWEJ-CHWSQXEVSA-N 1 2 310.444 2.464 50 0 DEAALO CC[C@H](Nc1ccc(N2CCOCC2)[nH+]c1)c1cnn(C)c1 ZINC000180039665 199110422 /nfs/dbraw/zinc/11/04/22/199110422.db2.gz IKOXIOMAIKNBTI-HNNXBMFYSA-N 1 2 301.394 2.215 50 0 DEAALO Nc1nc(N)c2c([nH+]1)NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000670416206 540931758 /nfs/dbraw/zinc/93/17/58/540931758.db2.gz ZINIYDSBOAQBLV-MRVPVSSYSA-N 1 2 323.278 2.134 50 0 DEAALO COCCN1C[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)CC1=O ZINC000670452440 540935499 /nfs/dbraw/zinc/93/54/99/540935499.db2.gz OEVLFZXCPPLAGU-JTQLQIEISA-N 1 2 317.311 2.007 50 0 DEAALO CCc1nsc(N2CC[NH+]([C@@H](C)c3ccncc3)CC2)n1 ZINC000608509627 361230295 /nfs/dbraw/zinc/23/02/95/361230295.db2.gz FYBAPSPZRUVGKO-LBPRGKRZSA-N 1 2 303.435 2.379 50 0 DEAALO O=C1CCC2(CC[NH+](Cc3ncon3)CC2)CN1C1CCCC1 ZINC000091536364 193070241 /nfs/dbraw/zinc/07/02/41/193070241.db2.gz JPSZTCYZWFSHFT-UHFFFAOYSA-N 1 2 318.421 2.217 50 0 DEAALO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000092018160 193143585 /nfs/dbraw/zinc/14/35/85/193143585.db2.gz GJZIIYRTULAXMM-OCCSQVGLSA-N 1 2 310.394 2.394 50 0 DEAALO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000092018160 193143586 /nfs/dbraw/zinc/14/35/86/193143586.db2.gz GJZIIYRTULAXMM-OCCSQVGLSA-N 1 2 310.394 2.394 50 0 DEAALO CCC[C@H]1CN(c2cc[nH+]c(C)n2)C[C@@H]1NC(=O)C1CCC1 ZINC000092062023 193150989 /nfs/dbraw/zinc/15/09/89/193150989.db2.gz WDMIKFHYIVZTPI-GJZGRUSLSA-N 1 2 302.422 2.306 50 0 DEAALO CCC[C@H]1C[N@H+](Cc2ncccn2)C[C@@H]1NC(=O)CC1CCC1 ZINC000092107679 193160648 /nfs/dbraw/zinc/16/06/48/193160648.db2.gz SVZLJNQPACAEDH-HOTGVXAUSA-N 1 2 316.449 2.384 50 0 DEAALO CCC[C@H]1C[N@@H+](Cc2ncccn2)C[C@@H]1NC(=O)CC1CCC1 ZINC000092107679 193160649 /nfs/dbraw/zinc/16/06/49/193160649.db2.gz SVZLJNQPACAEDH-HOTGVXAUSA-N 1 2 316.449 2.384 50 0 DEAALO c1cc(CN2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)no1 ZINC000093561220 193268682 /nfs/dbraw/zinc/26/86/82/193268682.db2.gz DEROYLCSQFIHSS-UHFFFAOYSA-N 1 2 323.400 2.383 50 0 DEAALO CCCCOC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000096330825 193613357 /nfs/dbraw/zinc/61/33/57/193613357.db2.gz RDVRRCZTOQFLAW-UHFFFAOYSA-N 1 2 314.426 2.319 50 0 DEAALO Cc1ccc2[nH+]c(COC(=O)CNC(=O)c3ccccc3)cn2c1 ZINC000008136235 181529859 /nfs/dbraw/zinc/52/98/59/181529859.db2.gz KJIXAQCDFADZFN-UHFFFAOYSA-N 1 2 323.352 2.116 50 0 DEAALO CCOC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)C1NCCC[NH2+]1 ZINC000019320276 182115338 /nfs/dbraw/zinc/11/53/38/182115338.db2.gz CZVFPWWLNPBZJF-ZDUSSCGKSA-N 1 2 324.808 2.001 50 0 DEAALO O=C(NCC[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000020010553 182177906 /nfs/dbraw/zinc/17/79/06/182177906.db2.gz RIDMHWOJDYAZJX-UHFFFAOYSA-N 1 2 324.424 2.267 50 0 DEAALO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2cc1O ZINC000020609942 182238864 /nfs/dbraw/zinc/23/88/64/182238864.db2.gz WFYOGACWNAFSPS-TXEJJXNPSA-N 1 2 303.358 2.416 50 0 biogenic DEAALO Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2cc1O ZINC000020609942 182238865 /nfs/dbraw/zinc/23/88/65/182238865.db2.gz WFYOGACWNAFSPS-TXEJJXNPSA-N 1 2 303.358 2.416 50 0 biogenic DEAALO CC(C)(CNC(=O)Nc1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000023994915 182371323 /nfs/dbraw/zinc/37/13/23/182371323.db2.gz JRWPEWMCCFPJFV-UHFFFAOYSA-N 1 2 313.348 2.197 50 0 DEAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1Cc2ccccc2O1 ZINC000025009796 182399007 /nfs/dbraw/zinc/39/90/07/182399007.db2.gz INKWVCUCXVTYNM-HNNXBMFYSA-N 1 2 306.325 2.210 50 0 DEAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC000040481336 183076599 /nfs/dbraw/zinc/07/65/99/183076599.db2.gz FHIKYPFDHDZZPN-UHFFFAOYSA-N 1 2 323.481 2.016 50 0 DEAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC000040481336 183076600 /nfs/dbraw/zinc/07/66/00/183076600.db2.gz FHIKYPFDHDZZPN-UHFFFAOYSA-N 1 2 323.481 2.016 50 0 DEAALO CCCC(=O)NC1CC[NH+]([C@@H](C)c2nc(CCC)no2)CC1 ZINC000040540178 183096945 /nfs/dbraw/zinc/09/69/45/183096945.db2.gz BDRHDLYRHFTIEI-LBPRGKRZSA-N 1 2 308.426 2.464 50 0 DEAALO CCCC(=O)NC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000040540185 183097054 /nfs/dbraw/zinc/09/70/54/183097054.db2.gz POBILIIOCBARHF-UHFFFAOYSA-N 1 2 318.377 2.210 50 0 DEAALO CCOCCO[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000057450555 184038914 /nfs/dbraw/zinc/03/89/14/184038914.db2.gz HWNRQGNRVYXSCK-ZDUSSCGKSA-N 1 2 303.362 2.252 50 0 DEAALO CCOc1ccc(C(=O)N2CC[NH+]=C2N2CCCCC2)cc1 ZINC000064677691 184302954 /nfs/dbraw/zinc/30/29/54/184302954.db2.gz IVYAFQCNKKHBIG-UHFFFAOYSA-N 1 2 301.390 2.383 50 0 DEAALO Cc1cc(C[N@H+]2CCC=C(CN(C)C(=O)c3ccco3)C2)no1 ZINC000065372964 184330834 /nfs/dbraw/zinc/33/08/34/184330834.db2.gz QSTCNDGBRDYUST-UHFFFAOYSA-N 1 2 315.373 2.480 50 0 DEAALO Cc1cc(C[N@@H+]2CCC=C(CN(C)C(=O)c3ccco3)C2)no1 ZINC000065372964 184330836 /nfs/dbraw/zinc/33/08/36/184330836.db2.gz QSTCNDGBRDYUST-UHFFFAOYSA-N 1 2 315.373 2.480 50 0 DEAALO Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)Cn2cc[nH+]c2)on1 ZINC000065409011 184339061 /nfs/dbraw/zinc/33/90/61/184339061.db2.gz IPAMBIFIANFCDM-QWHCGFSZSA-N 1 2 303.366 2.115 50 0 DEAALO C[N@@H+]1CCO[C@@H](CNCc2csc(-c3cccs3)n2)C1 ZINC000065615052 184374213 /nfs/dbraw/zinc/37/42/13/184374213.db2.gz UDEVWDSIIYNTSB-LBPRGKRZSA-N 1 2 309.460 2.292 50 0 DEAALO C[N@H+]1CCO[C@@H](CNCc2csc(-c3cccs3)n2)C1 ZINC000065615052 184374214 /nfs/dbraw/zinc/37/42/14/184374214.db2.gz UDEVWDSIIYNTSB-LBPRGKRZSA-N 1 2 309.460 2.292 50 0 DEAALO O=C(NCCCn1cc[nH+]c1)Nc1ccc2oc(=O)ccc2c1 ZINC000065752199 184378528 /nfs/dbraw/zinc/37/85/28/184378528.db2.gz ACRKRWAVEWNSID-UHFFFAOYSA-N 1 2 312.329 2.201 50 0 DEAALO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ncnn2C)CC1 ZINC000157592390 197199508 /nfs/dbraw/zinc/19/95/08/197199508.db2.gz PZSOBTYMPHWYAN-ZDUSSCGKSA-N 1 2 319.840 2.347 50 0 DEAALO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000014121065 257233677 /nfs/dbraw/zinc/23/36/77/257233677.db2.gz JLDPFWXGGBRSDY-FRRDWIJNSA-N 1 2 322.405 2.140 50 0 DEAALO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000014121065 257233678 /nfs/dbraw/zinc/23/36/78/257233678.db2.gz JLDPFWXGGBRSDY-FRRDWIJNSA-N 1 2 322.405 2.140 50 0 DEAALO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000246250989 296468637 /nfs/dbraw/zinc/46/86/37/296468637.db2.gz SXHLVHKQJDNYFA-FICVDOATSA-N 1 2 311.470 2.221 50 0 DEAALO C[NH+]1CCN(c2nc(N3CCc4ccccc43)ncc2F)CC1 ZINC000004709050 134463925 /nfs/dbraw/zinc/46/39/25/134463925.db2.gz VWQFSDNCWYJWQC-UHFFFAOYSA-N 1 2 313.380 2.062 50 0 DEAALO CS(=O)(=O)c1ccc2c(c1)CCN(c1cccc[nH+]1)CC2 ZINC000374672404 148275436 /nfs/dbraw/zinc/27/54/36/148275436.db2.gz CWOFHFOMECKPKS-UHFFFAOYSA-N 1 2 302.399 2.090 50 0 DEAALO O=C(c1ccc(F)cc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000003310162 401724176 /nfs/dbraw/zinc/72/41/76/401724176.db2.gz BJCGXNZUJBMUEO-UHFFFAOYSA-N 1 2 303.312 2.322 50 0 DEAALO Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC000071865968 401688975 /nfs/dbraw/zinc/68/89/75/401688975.db2.gz VLNYIGLIRLRYNW-LSDHHAIUSA-N 1 2 301.394 2.030 50 0 DEAALO Cc1c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)sc2ccsc12 ZINC000071871234 401689810 /nfs/dbraw/zinc/68/98/10/401689810.db2.gz SHTYZJALABBWET-SNVBAGLBSA-N 1 2 324.471 2.410 50 0 DEAALO Cc1cnn(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2nc(C)cs2)c1 ZINC000071875894 401690456 /nfs/dbraw/zinc/69/04/56/401690456.db2.gz GDIJDZISINOASF-ZDUSSCGKSA-N 1 2 319.434 2.060 50 0 DEAALO Cc1cnn(C[C@@H]2CCC[N@H+]2CC(=O)Nc2nc(C)cs2)c1 ZINC000071875894 401690459 /nfs/dbraw/zinc/69/04/59/401690459.db2.gz GDIJDZISINOASF-ZDUSSCGKSA-N 1 2 319.434 2.060 50 0 DEAALO O=C(NCCn1cc[nH+]c1)Nc1cc(F)ccc1-n1cccn1 ZINC000071883775 401692325 /nfs/dbraw/zinc/69/23/25/401692325.db2.gz BSPOCSZIUVVTNW-UHFFFAOYSA-N 1 2 314.324 2.030 50 0 DEAALO O=C(C[C@H]1OCCc2ccsc21)N[C@H]1CCc2[nH+]ccn2C1 ZINC000072254867 401704385 /nfs/dbraw/zinc/70/43/85/401704385.db2.gz CXBZSYVGFUMFAT-QWHCGFSZSA-N 1 2 317.414 2.080 50 0 DEAALO CN(c1ccccc1)c1nc(-n2ccnc2)nc(-n2cc[nH+]c2)n1 ZINC000001079820 401704466 /nfs/dbraw/zinc/70/44/66/401704466.db2.gz SAZPNQSUEPKYMD-UHFFFAOYSA-N 1 2 318.344 2.011 50 0 DEAALO Cc1cc(CN2C(=O)c3ccccc3S2(=O)=O)cc(C)[nH+]1 ZINC000001273927 401705260 /nfs/dbraw/zinc/70/52/60/401705260.db2.gz RXKVGDIJOTXWKF-UHFFFAOYSA-N 1 2 302.355 2.043 50 0 DEAALO CC[C@@H](C)c1cc(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)on1 ZINC000072295319 401707937 /nfs/dbraw/zinc/70/79/37/401707937.db2.gz YDNBOHRFHTWAJB-ZYHUDNBSSA-N 1 2 302.378 2.438 50 0 DEAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC000002731439 401717012 /nfs/dbraw/zinc/71/70/12/401717012.db2.gz KBVZNTCDTWXBCJ-UHFFFAOYSA-N 1 2 304.390 2.209 50 0 DEAALO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2CCOCC2)c1 ZINC000009627474 401764722 /nfs/dbraw/zinc/76/47/22/401764722.db2.gz TURGQQWEJKYBHC-UHFFFAOYSA-N 1 2 309.373 2.269 50 0 DEAALO COC(=O)c1ccc(C[N@@H+]2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC000077521926 401818702 /nfs/dbraw/zinc/81/87/02/401818702.db2.gz XQGUPWKUUGWUTQ-CQSZACIVSA-N 1 2 318.417 2.162 50 0 DEAALO COC(=O)c1ccc(C[N@H+]2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC000077521926 401818704 /nfs/dbraw/zinc/81/87/04/401818704.db2.gz XQGUPWKUUGWUTQ-CQSZACIVSA-N 1 2 318.417 2.162 50 0 DEAALO Cc1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000018275889 401821338 /nfs/dbraw/zinc/82/13/38/401821338.db2.gz RSPWPCBBQYZFIE-UHFFFAOYSA-N 1 2 311.385 2.118 50 0 DEAALO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000018708717 401821863 /nfs/dbraw/zinc/82/18/63/401821863.db2.gz VQBOYILCXDKTDQ-CQSZACIVSA-N 1 2 307.413 2.108 50 0 DEAALO C[NH+]1CCN(C2(CNC(=O)c3ccccc3)CCCCC2)CC1 ZINC000019795676 401823017 /nfs/dbraw/zinc/82/30/17/401823017.db2.gz YWZWHSDJCVSRIS-UHFFFAOYSA-N 1 2 315.461 2.367 50 0 DEAALO CC(C)(CNC(=O)c1cc2ccccc2o1)[NH+]1CCOCC1 ZINC000025777446 401837283 /nfs/dbraw/zinc/83/72/83/401837283.db2.gz QMUZTYKAJPZQQT-UHFFFAOYSA-N 1 2 302.374 2.273 50 0 DEAALO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000031557714 401871565 /nfs/dbraw/zinc/87/15/65/401871565.db2.gz VIGUTAXOQHNUMO-HNNXBMFYSA-N 1 2 303.362 2.165 50 0 DEAALO Cc1noc(C)c1C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000031557714 401871566 /nfs/dbraw/zinc/87/15/66/401871566.db2.gz VIGUTAXOQHNUMO-HNNXBMFYSA-N 1 2 303.362 2.165 50 0 DEAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000028947001 401853796 /nfs/dbraw/zinc/85/37/96/401853796.db2.gz NVJNIHFOLYWOMW-ZIAGYGMSSA-N 1 2 319.792 2.458 50 0 DEAALO O=C(C[N@@H+]1CCC[C@@H]1COc1ccccc1)Nc1nncs1 ZINC000079090790 401869781 /nfs/dbraw/zinc/86/97/81/401869781.db2.gz WGBZBOJLEQPSDL-GFCCVEGCSA-N 1 2 318.402 2.020 50 0 DEAALO O=C(C[N@H+]1CCC[C@@H]1COc1ccccc1)Nc1nncs1 ZINC000079090790 401869782 /nfs/dbraw/zinc/86/97/82/401869782.db2.gz WGBZBOJLEQPSDL-GFCCVEGCSA-N 1 2 318.402 2.020 50 0 DEAALO Cc1cnc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC000040118880 401924617 /nfs/dbraw/zinc/92/46/17/401924617.db2.gz QINXGVSSSSDZFV-UHFFFAOYSA-N 1 2 311.389 2.100 50 0 DEAALO COc1cccc(N2CC[NH+]([C@@H](C)c3nc(C)no3)CC2)c1 ZINC000040496452 401925686 /nfs/dbraw/zinc/92/56/86/401925686.db2.gz LLLCWWZYHQYZKN-LBPRGKRZSA-N 1 2 302.378 2.270 50 0 DEAALO CC(C)c1[nH]c2ccc(NC(=O)c3ccn4nnnc4c3)cc2[nH+]1 ZINC000079482036 401873814 /nfs/dbraw/zinc/87/38/14/401873814.db2.gz GNYRXSXSYIAIKN-UHFFFAOYSA-N 1 2 321.344 2.376 50 0 DEAALO COc1c2c(c(NC(=O)C(C)C)c3c1C[N@H+](C)CC3)OCO2 ZINC000032124188 401876801 /nfs/dbraw/zinc/87/68/01/401876801.db2.gz UTJOLXGDSLGLSB-UHFFFAOYSA-N 1 2 306.362 2.006 50 0 biogenic DEAALO COc1c2c(c(NC(=O)C(C)C)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032124188 401876804 /nfs/dbraw/zinc/87/68/04/401876804.db2.gz UTJOLXGDSLGLSB-UHFFFAOYSA-N 1 2 306.362 2.006 50 0 biogenic DEAALO Cc1ccc(F)cc1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000032438027 401878782 /nfs/dbraw/zinc/87/87/82/401878782.db2.gz IDFHIHMFGCOEAT-UHFFFAOYSA-N 1 2 323.393 2.074 50 0 DEAALO CCCCC(=O)N1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000033106683 401888493 /nfs/dbraw/zinc/88/84/93/401888493.db2.gz DDLRPLKYMFWDBP-UHFFFAOYSA-N 1 2 300.406 2.412 50 0 DEAALO C[C@H](CO)[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000084640251 401907725 /nfs/dbraw/zinc/90/77/25/401907725.db2.gz VVNYMHUJPVGLEC-RDBSUJKOSA-N 1 2 316.405 2.249 50 0 DEAALO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccco3)CC2)no1 ZINC000044937664 401951183 /nfs/dbraw/zinc/95/11/83/401951183.db2.gz MAGNLHLSCYNCOX-UHFFFAOYSA-N 1 2 304.394 2.278 50 0 DEAALO O=C(NCCc1ccsc1)NCc1cn2ccccc2[nH+]1 ZINC000044950776 401951937 /nfs/dbraw/zinc/95/19/37/401951937.db2.gz GBCMFGKOVJVLQP-UHFFFAOYSA-N 1 2 300.387 2.438 50 0 DEAALO C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000044967651 401952048 /nfs/dbraw/zinc/95/20/48/401952048.db2.gz SBGKGMVMMKLFKY-AWEZNQCLSA-N 1 2 318.421 2.002 50 0 DEAALO CC[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000044945446 401952131 /nfs/dbraw/zinc/95/21/31/401952131.db2.gz RVPBRBROMOZULV-CHWSQXEVSA-N 1 2 311.451 2.219 50 0 DEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CCCCCC1 ZINC000044968574 401952621 /nfs/dbraw/zinc/95/26/21/401952621.db2.gz MNWFFNQUJHAFOS-UHFFFAOYSA-N 1 2 318.421 2.004 50 0 DEAALO Cn1ccnc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000089661823 401956429 /nfs/dbraw/zinc/95/64/29/401956429.db2.gz ZYCLSORSUDQSHA-KGLIPLIRSA-N 1 2 320.437 2.394 50 0 DEAALO Cn1ccnc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000089661823 401956431 /nfs/dbraw/zinc/95/64/31/401956431.db2.gz ZYCLSORSUDQSHA-KGLIPLIRSA-N 1 2 320.437 2.394 50 0 DEAALO Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000089761445 401961137 /nfs/dbraw/zinc/96/11/37/401961137.db2.gz OGNAOODLPSWGBT-CYBMUJFWSA-N 1 2 302.353 2.258 50 0 DEAALO CC(C)n1nccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000089893854 401970936 /nfs/dbraw/zinc/97/09/36/401970936.db2.gz BCBYLFGFQONMPP-CYBMUJFWSA-N 1 2 314.393 2.259 50 0 DEAALO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000048082717 401993611 /nfs/dbraw/zinc/99/36/11/401993611.db2.gz KHIWTNVLHCUFOV-CYBMUJFWSA-N 1 2 314.393 2.089 50 0 DEAALO Cn1cc[nH+]c1CN(C(=O)c1cc(=O)c2ccccc2o1)C1CC1 ZINC000044579506 401945650 /nfs/dbraw/zinc/94/56/50/401945650.db2.gz WNFSZEIFSBVLOR-UHFFFAOYSA-N 1 2 323.352 2.331 50 0 DEAALO COc1cccc(N2CC[NH+]([C@@H](C)c3nnc(C)o3)CC2)c1 ZINC000048275486 401997197 /nfs/dbraw/zinc/99/71/97/401997197.db2.gz IOPXHZZAVTVDEG-LBPRGKRZSA-N 1 2 302.378 2.270 50 0 DEAALO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(O)CC1 ZINC000050928574 402030629 /nfs/dbraw/zinc/03/06/29/402030629.db2.gz VTYAZAKCEKZXTH-UHFFFAOYSA-N 1 2 300.358 2.373 50 0 DEAALO C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053811126 402059899 /nfs/dbraw/zinc/05/98/99/402059899.db2.gz MWIRUNZRBTXPKR-INIZCTEOSA-N 1 2 324.428 2.226 50 0 DEAALO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)CCc1ccncc1 ZINC000095999367 402045218 /nfs/dbraw/zinc/04/52/18/402045218.db2.gz LEYRIVXWMGYCHH-UHFFFAOYSA-N 1 2 322.416 2.349 50 0 DEAALO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)CCc1ccncc1 ZINC000095999367 402045220 /nfs/dbraw/zinc/04/52/20/402045220.db2.gz LEYRIVXWMGYCHH-UHFFFAOYSA-N 1 2 322.416 2.349 50 0 DEAALO O=C(NCc1ccccn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000053251006 402053693 /nfs/dbraw/zinc/05/36/93/402053693.db2.gz XFSZIMPCYNDGTF-UHFFFAOYSA-N 1 2 316.430 2.171 50 0 DEAALO CN(C)c1nc(N(C)C)c(NC(=O)Nc2ccccc2)c[nH+]1 ZINC000096098778 402058379 /nfs/dbraw/zinc/05/83/79/402058379.db2.gz ARRFHCNTQFITJP-UHFFFAOYSA-N 1 2 300.366 2.253 50 0 DEAALO Cc1noc(C)c1CS(=O)(=O)Cc1cn2c(cccc2C)[nH+]1 ZINC000096404563 402078287 /nfs/dbraw/zinc/07/82/87/402078287.db2.gz BMOJFYMVRWMGNV-UHFFFAOYSA-N 1 2 319.386 2.363 50 0 DEAALO OCc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)o1 ZINC000055271934 402078929 /nfs/dbraw/zinc/07/89/29/402078929.db2.gz CLYOZNHHUCTMMY-UHFFFAOYSA-N 1 2 304.365 2.229 50 0 DEAALO OCc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)o1 ZINC000055271934 402078931 /nfs/dbraw/zinc/07/89/31/402078931.db2.gz CLYOZNHHUCTMMY-UHFFFAOYSA-N 1 2 304.365 2.229 50 0 DEAALO COCCCNC(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000096407786 402078943 /nfs/dbraw/zinc/07/89/43/402078943.db2.gz WZPMASNCWNSCDC-INIZCTEOSA-N 1 2 322.474 2.238 50 0 DEAALO COCCCNC(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000096407786 402078945 /nfs/dbraw/zinc/07/89/45/402078945.db2.gz WZPMASNCWNSCDC-INIZCTEOSA-N 1 2 322.474 2.238 50 0 DEAALO Cc1ccc(/C=C\C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)o1 ZINC000096426953 402084229 /nfs/dbraw/zinc/08/42/29/402084229.db2.gz OVDYKXBAEZNRSG-CFHLNLSMSA-N 1 2 319.430 2.237 50 0 DEAALO Cc1[nH]c2ccc(NC(=O)CN3CCCCCC3=O)cc2[nH+]1 ZINC000055551701 402084445 /nfs/dbraw/zinc/08/44/45/402084445.db2.gz URQDMQZIHLKFBK-UHFFFAOYSA-N 1 2 300.362 2.212 50 0 DEAALO Cn1cc[nH+]c1CNC(=O)Nc1ccc(F)cc1OC(F)F ZINC000096435453 402086414 /nfs/dbraw/zinc/08/64/14/402086414.db2.gz PHJROQBNVPXSJD-UHFFFAOYSA-N 1 2 314.267 2.482 50 0 DEAALO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000096466410 402092472 /nfs/dbraw/zinc/09/24/72/402092472.db2.gz GLZJIUBUBWZPRG-CQSZACIVSA-N 1 2 309.797 2.183 50 0 DEAALO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000096466410 402092475 /nfs/dbraw/zinc/09/24/75/402092475.db2.gz GLZJIUBUBWZPRG-CQSZACIVSA-N 1 2 309.797 2.183 50 0 DEAALO CC(C)[C@@H](O)CNC(=O)[C@@H](C)n1cc[nH+]c1-c1ccccc1 ZINC000096484719 402094686 /nfs/dbraw/zinc/09/46/86/402094686.db2.gz WKRTVVPHZKADPP-HIFRSBDPSA-N 1 2 301.390 2.244 50 0 DEAALO C[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)Cn1cccn1 ZINC000058305561 402099896 /nfs/dbraw/zinc/09/98/96/402099896.db2.gz RERQMZQUNFZTOG-HNNXBMFYSA-N 1 2 323.400 2.194 50 0 DEAALO O=C(CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)c1ccc(F)cc1 ZINC000097045767 402101977 /nfs/dbraw/zinc/10/19/77/402101977.db2.gz DBTWMZIKTQMISW-IRXDYDNUSA-N 1 2 307.365 2.278 50 0 DEAALO O=C(CC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1)c1ccc(F)cc1 ZINC000097045767 402101978 /nfs/dbraw/zinc/10/19/78/402101978.db2.gz DBTWMZIKTQMISW-IRXDYDNUSA-N 1 2 307.365 2.278 50 0 DEAALO CSCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000097142503 402111164 /nfs/dbraw/zinc/11/11/64/402111164.db2.gz UPVIGLYIDZEUSP-LBPRGKRZSA-N 1 2 313.492 2.499 50 0 DEAALO CCc1c(C(=O)N[C@@H]2CCc3[nH+]ccn3C2)cnn1C(C)(C)C ZINC000097197874 402115242 /nfs/dbraw/zinc/11/52/42/402115242.db2.gz VKEZJCZUSLQRGS-GFCCVEGCSA-N 1 2 315.421 2.142 50 0 DEAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1cc2c(c(Cl)c1)OCO2 ZINC000097197802 402115341 /nfs/dbraw/zinc/11/53/41/402115341.db2.gz HWIGXWAGAFXFSZ-JTQLQIEISA-N 1 2 319.748 2.010 50 0 DEAALO Cc1ccn(-c2ccc(C(=O)N[C@@H]3CCc4[nH+]ccn4C3)cc2)n1 ZINC000097197550 402115346 /nfs/dbraw/zinc/11/53/46/402115346.db2.gz BWGKTRCMSKRGIB-OAHLLOKOSA-N 1 2 321.384 2.122 50 0 DEAALO FC(F)(F)c1n[nH]c(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000096149440 402062845 /nfs/dbraw/zinc/06/28/45/402062845.db2.gz NKYVRUQOYZNCGE-UHFFFAOYSA-N 1 2 312.295 2.323 50 0 DEAALO FC(F)(F)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)n[nH]1 ZINC000096149440 402062847 /nfs/dbraw/zinc/06/28/47/402062847.db2.gz NKYVRUQOYZNCGE-UHFFFAOYSA-N 1 2 312.295 2.323 50 0 DEAALO C/C(=C/C(=O)NCC[NH+]1CCOCC1)CCc1ccccc1 ZINC000096188200 402066771 /nfs/dbraw/zinc/06/67/71/402066771.db2.gz DGKFUYZFKSDTBT-NXVVXOECSA-N 1 2 302.418 2.014 50 0 DEAALO Cc1n[nH]c(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000097636432 402128786 /nfs/dbraw/zinc/12/87/86/402128786.db2.gz VXIAEOMSUULZOY-CQSZACIVSA-N 1 2 315.421 2.099 50 0 DEAALO CC(C)CN1C[C@H](C(=O)Nc2c[nH+]c3n2CCCC3)CCC1=O ZINC000067935274 402179095 /nfs/dbraw/zinc/17/90/95/402179095.db2.gz UEEUYUOJGIASTR-CYBMUJFWSA-N 1 2 318.421 2.053 50 0 DEAALO c1coc(-c2noc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)n2)c1 ZINC000069414126 402221833 /nfs/dbraw/zinc/22/18/33/402221833.db2.gz NJEGWITVCUGART-LLVKDONJSA-N 1 2 305.334 2.057 50 0 DEAALO c1coc(-c2noc(C[N@H+]3CCCC[C@@H]3C3OCCO3)n2)c1 ZINC000069414126 402221835 /nfs/dbraw/zinc/22/18/35/402221835.db2.gz NJEGWITVCUGART-LLVKDONJSA-N 1 2 305.334 2.057 50 0 DEAALO CCSc1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cn1 ZINC000069484483 402225678 /nfs/dbraw/zinc/22/56/78/402225678.db2.gz DNXAXSPMTSZWBK-LBPRGKRZSA-N 1 2 324.450 2.036 50 0 DEAALO O=C(C[N@@H+]1CCc2cncnc2C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000069493379 402226785 /nfs/dbraw/zinc/22/67/85/402226785.db2.gz QLWRHFIRFQQZQP-YOEHRIQHSA-N 1 2 314.433 2.016 50 0 DEAALO O=C(C[N@H+]1CCc2cncnc2C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000069493379 402226788 /nfs/dbraw/zinc/22/67/88/402226788.db2.gz QLWRHFIRFQQZQP-YOEHRIQHSA-N 1 2 314.433 2.016 50 0 DEAALO c1coc(-c2nnc(C[N@@H+]3CCCC[C@H]3C3OCCO3)o2)c1 ZINC000069520296 402228463 /nfs/dbraw/zinc/22/84/63/402228463.db2.gz IQNZVSGAVCZYHQ-NSHDSACASA-N 1 2 305.334 2.057 50 0 DEAALO c1coc(-c2nnc(C[N@H+]3CCCC[C@H]3C3OCCO3)o2)c1 ZINC000069520296 402228464 /nfs/dbraw/zinc/22/84/64/402228464.db2.gz IQNZVSGAVCZYHQ-NSHDSACASA-N 1 2 305.334 2.057 50 0 DEAALO CN(C)c1[nH+]cccc1CNC(=O)NCc1cc(F)ccc1F ZINC000069595777 402233640 /nfs/dbraw/zinc/23/36/40/402233640.db2.gz WNUBSNFINHGQOH-UHFFFAOYSA-N 1 2 320.343 2.425 50 0 DEAALO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccccc2)no1 ZINC000107495444 402234024 /nfs/dbraw/zinc/23/40/24/402234024.db2.gz XYFCUNPTOIGKHM-HZPDHXFCSA-N 1 2 317.389 2.093 50 0 DEAALO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](O)COCc2ccccc2)no1 ZINC000107495444 402234025 /nfs/dbraw/zinc/23/40/25/402234025.db2.gz 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Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000007335398 401739179 /nfs/dbraw/zinc/73/91/79/401739179.db2.gz OEXJCWAWGKWYOI-CQSZACIVSA-N 1 2 312.417 2.422 50 0 DEAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000007335398 401739181 /nfs/dbraw/zinc/73/91/81/401739181.db2.gz OEXJCWAWGKWYOI-CQSZACIVSA-N 1 2 312.417 2.422 50 0 DEAALO c1nc(C[NH+]2CCN(c3ncccn3)CC2)oc1-c1ccccc1 ZINC000007445723 401740195 /nfs/dbraw/zinc/74/01/95/401740195.db2.gz XDNCJFCYRVUXBP-UHFFFAOYSA-N 1 2 321.384 2.454 50 0 DEAALO CN(c1ccccc1)c1nc(-n2cc[nH+]c2)nc(N2CCCC2)n1 ZINC000000108822 401688173 /nfs/dbraw/zinc/68/81/73/401688173.db2.gz BXSFUKRCGLOBQQ-UHFFFAOYSA-N 1 2 321.388 2.425 50 0 DEAALO O[C@H](COc1cccc2ccccc21)C[NH+]1CC(n2cccn2)C1 ZINC000071877118 401690763 /nfs/dbraw/zinc/69/07/63/401690763.db2.gz WRYDVDSDMCLABU-KRWDZBQOSA-N 1 2 323.396 2.333 50 0 DEAALO CCOC(=O)c1oc2ccccc2c1C[N@H+](CC)CC(=O)NC ZINC000071911874 401696376 /nfs/dbraw/zinc/69/63/76/401696376.db2.gz 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CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(C)C)no2)C1 ZINC000024218268 182377127 /nfs/dbraw/zinc/37/71/27/182377127.db2.gz ZXLCGHYVILFMEM-LBPRGKRZSA-N 1 2 323.393 2.012 50 0 DEAALO Cc1[nH+]c2ccccc2n1CCNc1cc(Cl)nc(N)n1 ZINC000024056655 182374164 /nfs/dbraw/zinc/37/41/64/182374164.db2.gz LHVAVJZLPCFVRU-UHFFFAOYSA-N 1 2 302.769 2.482 50 0 DEAALO CCC[NH+](CCC)CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000027271125 182467193 /nfs/dbraw/zinc/46/71/93/182467193.db2.gz XVOGIMKOXLBGPI-UHFFFAOYSA-N 1 2 312.435 2.151 50 0 DEAALO COc1ccc(OC)c(C[NH2+][C@@H](C)c2nnc3n2CCC3)c1 ZINC000040513718 183088246 /nfs/dbraw/zinc/08/82/46/183088246.db2.gz OGFITRRKXYHPFX-NSHDSACASA-N 1 2 302.378 2.092 50 0 DEAALO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(N)=O)CC2)cc1 ZINC000040528255 183093522 /nfs/dbraw/zinc/09/35/22/183093522.db2.gz XOWAUZHYQLRWIG-UHFFFAOYSA-N 1 2 302.418 2.265 50 0 DEAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000042513244 183278508 /nfs/dbraw/zinc/27/85/08/183278508.db2.gz KIEOGQJFTQMSGO-HZMBPMFUSA-N 1 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C[N@H+]1CCc2c(sc3ncn4nc(-c5ccccn5)nc4c23)C1 ZINC000020566385 277187161 /nfs/dbraw/zinc/18/71/61/277187161.db2.gz KHQLVEYWZHWJTL-UHFFFAOYSA-N 1 2 322.397 2.389 50 0 DEAALO O=C(NCC(F)(F)F)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000065591112 303750597 /nfs/dbraw/zinc/75/05/97/303750597.db2.gz KEZSQYALJNXGNP-LBPRGKRZSA-N 1 2 318.364 2.455 50 0 DEAALO CCCN(Cc1[nH+]ccn1C)C(=O)NCC[C@@H]1CCCOC1 ZINC000534660451 334313428 /nfs/dbraw/zinc/31/34/28/334313428.db2.gz BCIZOXGBFNILIB-AWEZNQCLSA-N 1 2 308.426 2.158 50 0 DEAALO O=C([C@H]1CCCOC1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000328586426 534628486 /nfs/dbraw/zinc/62/84/86/534628486.db2.gz RHCNIQUBNCWINN-ZFWWWQNUSA-N 1 2 308.809 2.240 50 0 DEAALO COc1cccc(-c2n[nH]c3c2C[N@H+](Cc2ncc[nH]2)CC3)c1 ZINC000012317149 636154465 /nfs/dbraw/zinc/15/44/65/636154465.db2.gz YVRNUUPCQDUWFE-UHFFFAOYSA-N 1 2 309.373 2.367 50 0 DEAALO COc1cccc(-c2n[nH]c3c2C[N@@H+](Cc2ncc[nH]2)CC3)c1 ZINC000012317149 636154468 /nfs/dbraw/zinc/15/44/68/636154468.db2.gz 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C[N@H+]1CCO[C@@H](CN(C(=O)CC2CCCC2)c2nccs2)C1 ZINC000095402136 185354664 /nfs/dbraw/zinc/35/46/64/185354664.db2.gz RASIFAMIMPWUAT-CQSZACIVSA-N 1 2 323.462 2.387 50 0 DEAALO Cc1nn(C)c(Cl)c1C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000095409379 185357121 /nfs/dbraw/zinc/35/71/21/185357121.db2.gz FRGUXHSBBBFGHB-UHFFFAOYSA-N 1 2 314.817 2.091 50 0 DEAALO C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449209 185368372 /nfs/dbraw/zinc/36/83/72/185368372.db2.gz ZZXGTJUTGRCXMC-OCCSQVGLSA-N 1 2 307.300 2.128 50 0 DEAALO C[N@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449209 185368373 /nfs/dbraw/zinc/36/83/73/185368373.db2.gz ZZXGTJUTGRCXMC-OCCSQVGLSA-N 1 2 307.300 2.128 50 0 DEAALO C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246428476 529795736 /nfs/dbraw/zinc/79/57/36/529795736.db2.gz ILCHTSUMNADAPR-TZMCWYRMSA-N 1 2 322.771 2.377 50 0 DEAALO C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246428476 529795737 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/nfs/dbraw/zinc/93/65/59/540936559.db2.gz XDFFLVKTARHVIG-MRXNPFEDSA-N 1 2 304.438 2.168 50 0 DEAALO CCc1n[nH]c2c1C[N@@H+]([C@H](CC)C(=O)NC1CCCC1)CC2 ZINC000670454660 540936563 /nfs/dbraw/zinc/93/65/63/540936563.db2.gz XDFFLVKTARHVIG-MRXNPFEDSA-N 1 2 304.438 2.168 50 0 DEAALO CCc1[nH]nc2c1C[N@H+]([C@H](CC)C(=O)NC1CCCC1)CC2 ZINC000670454660 540936566 /nfs/dbraw/zinc/93/65/66/540936566.db2.gz XDFFLVKTARHVIG-MRXNPFEDSA-N 1 2 304.438 2.168 50 0 DEAALO CCc1[nH]nc2c1C[N@@H+]([C@H](CC)C(=O)NC1CCCC1)CC2 ZINC000670454660 540936570 /nfs/dbraw/zinc/93/65/70/540936570.db2.gz XDFFLVKTARHVIG-MRXNPFEDSA-N 1 2 304.438 2.168 50 0 DEAALO O=C(CN1c2ccccc2N2CC[NH+]=C12)c1ccc2c(c1)OCO2 ZINC000006549013 181353190 /nfs/dbraw/zinc/35/31/90/181353190.db2.gz NHXUUHQBQCYVAY-UHFFFAOYSA-N 1 2 321.336 2.294 50 0 DEAALO CC(C)=CCN1CC2(CC1=O)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000091519448 193068123 /nfs/dbraw/zinc/06/81/23/193068123.db2.gz CMELYURRXVJKEZ-UHFFFAOYSA-N 1 2 302.422 2.190 50 0 DEAALO O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(Cc1[nH]cc[nH+]1)C2 ZINC000091645558 193085231 /nfs/dbraw/zinc/08/52/31/193085231.db2.gz BIRNYASRFVILJG-GDBMZVCRSA-N 1 2 310.401 2.146 50 0 DEAALO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ncc[nH]2)C1 ZINC000091645558 193085233 /nfs/dbraw/zinc/08/52/33/193085233.db2.gz BIRNYASRFVILJG-GDBMZVCRSA-N 1 2 310.401 2.146 50 0 DEAALO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ncc[nH]2)C1 ZINC000091645558 193085235 /nfs/dbraw/zinc/08/52/35/193085235.db2.gz BIRNYASRFVILJG-GDBMZVCRSA-N 1 2 310.401 2.146 50 0 DEAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC000091663180 193087290 /nfs/dbraw/zinc/08/72/90/193087290.db2.gz ASTFRQJSGBEYQA-GFCCVEGCSA-N 1 2 300.362 2.023 50 0 DEAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000091952272 193130605 /nfs/dbraw/zinc/13/06/05/193130605.db2.gz OMTMSOWCJAKJRF-MRXNPFEDSA-N 1 2 313.401 2.415 50 0 DEAALO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1F ZINC000092036752 193144203 /nfs/dbraw/zinc/14/42/03/193144203.db2.gz 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ZINC000019535645 182129351 /nfs/dbraw/zinc/12/93/51/182129351.db2.gz ZCPHAJYJJHVMND-UHFFFAOYSA-N 1 2 303.189 2.055 50 0 DEAALO C[N@H+](CCc1cn[nH]c1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000020601527 182236253 /nfs/dbraw/zinc/23/62/53/182236253.db2.gz IBJCEDQTAXPZQQ-UHFFFAOYSA-N 1 2 315.352 2.197 50 0 DEAALO C[N@@H+](CCc1cn[nH]c1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000020601527 182236255 /nfs/dbraw/zinc/23/62/55/182236255.db2.gz IBJCEDQTAXPZQQ-UHFFFAOYSA-N 1 2 315.352 2.197 50 0 DEAALO COc1ccc2c(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc(=O)oc2c1 ZINC000020609892 182238860 /nfs/dbraw/zinc/23/88/60/182238860.db2.gz ZEXPJNALIUUXEL-VXGBXAGGSA-N 1 2 303.358 2.411 50 0 biogenic DEAALO CC(C)CCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000022466957 182322773 /nfs/dbraw/zinc/32/27/73/182322773.db2.gz PKTLATRLJMNLPP-UHFFFAOYSA-N 1 2 317.433 2.449 50 0 DEAALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)n1C ZINC000023442619 182361192 /nfs/dbraw/zinc/36/11/92/182361192.db2.gz DIJJGWHFXPTVQU-UHFFFAOYSA-N 1 2 315.392 2.431 50 0 DEAALO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000024990555 182397650 /nfs/dbraw/zinc/39/76/50/182397650.db2.gz APPIFHVEKLGISN-INIZCTEOSA-N 1 2 308.389 2.338 50 0 DEAALO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000024990555 182397651 /nfs/dbraw/zinc/39/76/51/182397651.db2.gz APPIFHVEKLGISN-INIZCTEOSA-N 1 2 308.389 2.338 50 0 DEAALO C[C@@H](CNC(=O)c1cc2c(s1)CCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040087857 183032999 /nfs/dbraw/zinc/03/29/99/183032999.db2.gz GYQBWMVVZALSAB-RWMBFGLXSA-N 1 2 322.474 2.464 50 0 DEAALO C[C@@H](CNC(=O)c1cc2c(s1)CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040087857 183033001 /nfs/dbraw/zinc/03/30/01/183033001.db2.gz GYQBWMVVZALSAB-RWMBFGLXSA-N 1 2 322.474 2.464 50 0 DEAALO CN(C)c1cc(CNC(=O)Nc2nnc(C3CC3)s2)cc[nH+]1 ZINC000043359594 183357249 /nfs/dbraw/zinc/35/72/49/183357249.db2.gz ZTRSLMXHJSXILX-UHFFFAOYSA-N 1 2 318.406 2.198 50 0 DEAALO CN(C)c1ccc(CNC(=O)NCCc2cccs2)c[nH+]1 ZINC000044914814 183456801 /nfs/dbraw/zinc/45/68/01/183456801.db2.gz 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/nfs/dbraw/zinc/83/14/11/183831411.db2.gz OGHHAAMUSPVTTG-LBPRGKRZSA-N 1 2 305.205 2.047 50 0 DEAALO CCOCCO[C@H](C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058311775 184104265 /nfs/dbraw/zinc/10/42/65/184104265.db2.gz AXNCTQPCDGXSKP-CQSZACIVSA-N 1 2 324.421 2.107 50 0 DEAALO O=C(CSCc1ccncc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000058406244 184113807 /nfs/dbraw/zinc/11/38/07/184113807.db2.gz NWDNBPCDWSZIHO-UHFFFAOYSA-N 1 2 316.430 2.375 50 0 DEAALO Cc1ccc(NC(=O)c2cn(-c3cc(N(C)C)[nH+]cn3)cn2)cc1 ZINC000065240020 184317268 /nfs/dbraw/zinc/31/72/68/184317268.db2.gz IYCTVHUJUSDVOE-UHFFFAOYSA-N 1 2 322.372 2.289 50 0 DEAALO Cc1ccc(OCCN(C)c2ncnc3c2C[N@H+](C)CC3)cc1 ZINC000065474770 184351175 /nfs/dbraw/zinc/35/11/75/184351175.db2.gz ZHWVNLFTYDSHFZ-UHFFFAOYSA-N 1 2 312.417 2.288 50 0 DEAALO Cc1ccc(OCCN(C)c2ncnc3c2C[N@@H+](C)CC3)cc1 ZINC000065474770 184351177 /nfs/dbraw/zinc/35/11/77/184351177.db2.gz ZHWVNLFTYDSHFZ-UHFFFAOYSA-N 1 2 312.417 2.288 50 0 DEAALO Cc1noc([C@H]2CCC[N@H+](Cc3nc(C(C)(C)C)no3)C2)n1 ZINC000065474666 184351246 /nfs/dbraw/zinc/35/12/46/184351246.db2.gz PYNIIGCZEQYBBE-NSHDSACASA-N 1 2 305.382 2.438 50 0 DEAALO Cc1noc([C@H]2CCC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)n1 ZINC000065474666 184351248 /nfs/dbraw/zinc/35/12/48/184351248.db2.gz PYNIIGCZEQYBBE-NSHDSACASA-N 1 2 305.382 2.438 50 0 DEAALO COc1ccc(Cl)cc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000065487800 184353140 /nfs/dbraw/zinc/35/31/40/184353140.db2.gz SJOSVKCUKQOFKL-LLVKDONJSA-N 1 2 305.765 2.290 50 0 DEAALO Cc1cc2[nH+]cn(-c3ccc(S(N)(=O)=O)s3)c2cc1C ZINC000065492876 184354043 /nfs/dbraw/zinc/35/40/43/184354043.db2.gz DGUIFQOHWFLFBK-UHFFFAOYSA-N 1 2 307.400 2.351 50 0 DEAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1Cc2ccccc2O1 ZINC000065550730 184364434 /nfs/dbraw/zinc/36/44/34/184364434.db2.gz OFIHJAJKDZVBJM-GOSISDBHSA-N 1 2 319.364 2.492 50 0 DEAALO O[C@@H](C[N@@H+]1CCO[C@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000065594044 184371137 /nfs/dbraw/zinc/37/11/37/184371137.db2.gz MZAHYXSEVDBRQC-KBPBESRZSA-N 1 2 308.378 2.389 50 0 DEAALO O[C@@H](C[N@H+]1CCO[C@H](c2nccs2)C1)c1ccc(F)cc1 ZINC000065594044 184371140 /nfs/dbraw/zinc/37/11/40/184371140.db2.gz MZAHYXSEVDBRQC-KBPBESRZSA-N 1 2 308.378 2.389 50 0 DEAALO COc1cccc([C@H](NC(=O)OCCF)c2[nH+]ccn2C)c1 ZINC000685940222 542767967 /nfs/dbraw/zinc/76/79/67/542767967.db2.gz LQNWWTXJXGAFQE-ZDUSSCGKSA-N 1 2 307.325 2.214 50 0 DEAALO Cc1cc(N)nc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)[nH+]1 ZINC000007047836 401735917 /nfs/dbraw/zinc/73/59/17/401735917.db2.gz XCOGACNKVIPJBB-ADEWGFFLSA-N 1 2 308.451 2.400 50 0 DEAALO Cc1ccc(CNC(=O)[C@@H](C)Sc2nc(N)cc(C)[nH+]2)cc1 ZINC000007177490 401737342 /nfs/dbraw/zinc/73/73/42/401737342.db2.gz MRDXPSRBVQOUCE-GFCCVEGCSA-N 1 2 316.430 2.473 50 0 DEAALO Cc1c2cccc(F)c2oc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000071871070 401689899 /nfs/dbraw/zinc/68/98/99/401689899.db2.gz OXWHSUBBKWGDCH-LLVKDONJSA-N 1 2 320.364 2.019 50 0 DEAALO CCCCc1nc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)no1 ZINC000071880478 401691669 /nfs/dbraw/zinc/69/16/69/401691669.db2.gz FXJGRAGWKIWKPW-GJZGRUSLSA-N 1 2 320.437 2.388 50 0 DEAALO CCCCc1nc(C[N@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)no1 ZINC000071880478 401691670 /nfs/dbraw/zinc/69/16/70/401691670.db2.gz FXJGRAGWKIWKPW-GJZGRUSLSA-N 1 2 320.437 2.388 50 0 DEAALO COCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000071896693 401694154 /nfs/dbraw/zinc/69/41/54/401694154.db2.gz VKCGKNHSQFKYPZ-ZDUSSCGKSA-N 1 2 314.788 2.206 50 0 DEAALO COCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000071896693 401694155 /nfs/dbraw/zinc/69/41/55/401694155.db2.gz VKCGKNHSQFKYPZ-ZDUSSCGKSA-N 1 2 314.788 2.206 50 0 DEAALO CC[C@H](C)CS(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000071904700 401694795 /nfs/dbraw/zinc/69/47/95/401694795.db2.gz KATQVFBZWJBPSL-JTQLQIEISA-N 1 2 300.424 2.173 50 0 DEAALO Cc1ccc(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000008017535 401746943 /nfs/dbraw/zinc/74/69/43/401746943.db2.gz XTLHASYNFXWAFH-HNNXBMFYSA-N 1 2 301.390 2.474 50 0 DEAALO COc1c([C@@H]2CCC[N@@H+]2[C@@H](C)c2nnc(C)o2)c(C)nn1C ZINC000072253781 401704360 /nfs/dbraw/zinc/70/43/60/401704360.db2.gz UJRNXFMUMFAKAF-JQWIXIFHSA-N 1 2 305.382 2.327 50 0 DEAALO COc1c([C@@H]2CCC[N@H+]2[C@@H](C)c2nnc(C)o2)c(C)nn1C ZINC000072253781 401704362 /nfs/dbraw/zinc/70/43/62/401704362.db2.gz UJRNXFMUMFAKAF-JQWIXIFHSA-N 1 2 305.382 2.327 50 0 DEAALO COc1ccc(/C=C/C(=O)NCCCn2cc[nH+]c2)cc1OC ZINC000013207694 401797839 /nfs/dbraw/zinc/79/78/39/401797839.db2.gz MKMHONMCPOOHMB-FNORWQNLSA-N 1 2 315.373 2.120 50 0 DEAALO Cn1ncc2c1nc[nH+]c2NCCc1ccc(-n2cccn2)cc1 ZINC000014160452 401808439 /nfs/dbraw/zinc/80/84/39/401808439.db2.gz BYMPWGAMSDJZMC-UHFFFAOYSA-N 1 2 319.372 2.204 50 0 DEAALO Nc1ncccc1C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000077285971 401808759 /nfs/dbraw/zinc/80/87/59/401808759.db2.gz VBVPWLPSFFERKM-CQSZACIVSA-N 1 2 322.372 2.446 50 0 DEAALO Nc1ncccc1C[N@H+]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000077285971 401808762 /nfs/dbraw/zinc/80/87/62/401808762.db2.gz VBVPWLPSFFERKM-CQSZACIVSA-N 1 2 322.372 2.446 50 0 DEAALO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccco1 ZINC000008225913 401750129 /nfs/dbraw/zinc/75/01/29/401750129.db2.gz IVZQYLGGHXFFAX-LLVKDONJSA-N 1 2 302.330 2.467 50 0 DEAALO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccco1 ZINC000008225913 401750130 /nfs/dbraw/zinc/75/01/30/401750130.db2.gz IVZQYLGGHXFFAX-LLVKDONJSA-N 1 2 302.330 2.467 50 0 DEAALO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008307737 401751272 /nfs/dbraw/zinc/75/12/72/401751272.db2.gz FSEWQXUPHCMOGX-CYBMUJFWSA-N 1 2 307.413 2.251 50 0 DEAALO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000014191732 401809104 /nfs/dbraw/zinc/80/91/04/401809104.db2.gz BRSYIKVMVIGAMF-UHFFFAOYSA-N 1 2 306.797 2.452 50 0 DEAALO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000014191732 401809107 /nfs/dbraw/zinc/80/91/07/401809107.db2.gz BRSYIKVMVIGAMF-UHFFFAOYSA-N 1 2 306.797 2.452 50 0 DEAALO Cc1cc(N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000009050419 401758773 /nfs/dbraw/zinc/75/87/73/401758773.db2.gz VIGQSUCHFRWZEJ-OCCSQVGLSA-N 1 2 302.422 2.213 50 0 DEAALO C[C@H](Sc1nnc(C[NH+]2CCCC2)o1)C(=O)NC1CCCC1 ZINC000009835338 401766221 /nfs/dbraw/zinc/76/62/21/401766221.db2.gz IORFGSDRUDSFLK-NSHDSACASA-N 1 2 324.450 2.205 50 0 DEAALO Cc1cc(N)nc(SCC(=O)NCc2ccc(C)c(F)c2)[nH+]1 ZINC000010350944 401769637 /nfs/dbraw/zinc/76/96/37/401769637.db2.gz JSWHZSORGGVSHH-UHFFFAOYSA-N 1 2 320.393 2.223 50 0 DEAALO CCCC[C@H]1C(=O)N(C)CCN1Cc1cn2ccc(C)cc2[nH+]1 ZINC000077319508 401810238 /nfs/dbraw/zinc/81/02/38/401810238.db2.gz RDBMUSADNBPKLY-INIZCTEOSA-N 1 2 314.433 2.476 50 0 DEAALO C[NH+](C)c1ccc(NC2=CC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000011613116 401774750 /nfs/dbraw/zinc/77/47/50/401774750.db2.gz CGQMZNNNWZTVEY-UHFFFAOYSA-N 1 2 311.341 2.210 50 0 DEAALO COc1ccc(-c2ncc(C(=O)NCc3[nH]cc[nH+]3)s2)cc1 ZINC000076066035 401780338 /nfs/dbraw/zinc/78/03/38/401780338.db2.gz ZEKDDWCSKVWMCL-UHFFFAOYSA-N 1 2 314.370 2.472 50 0 DEAALO CN(C)c1ccc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000077566211 401820411 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Cc1ccc(S(=O)(=O)N(C)Cc2cn3ccccc3[nH+]2)cc1 ZINC000075567840 401762912 /nfs/dbraw/zinc/76/29/12/401762912.db2.gz YSJQXMACBLNGQC-UHFFFAOYSA-N 1 2 315.398 2.463 50 0 DEAALO Cc1ccc([C@H]2C[N@H+](CC(=O)N3CCCC3)CCO2)c(C)c1 ZINC000075787398 401768961 /nfs/dbraw/zinc/76/89/61/401768961.db2.gz VTSQSQCNWUSEDQ-QGZVFWFLSA-N 1 2 302.418 2.299 50 0 DEAALO Cc1ccc([C@H]2C[N@@H+](CC(=O)N3CCCC3)CCO2)c(C)c1 ZINC000075787398 401768962 /nfs/dbraw/zinc/76/89/62/401768962.db2.gz VTSQSQCNWUSEDQ-QGZVFWFLSA-N 1 2 302.418 2.299 50 0 DEAALO O=C(NCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000012519814 401786909 /nfs/dbraw/zinc/78/69/09/401786909.db2.gz KWXUEWMPMYAUSF-UHFFFAOYSA-N 1 2 307.357 2.267 50 0 DEAALO CC(=O)Nc1cccc(C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000012667053 401789422 /nfs/dbraw/zinc/78/94/22/401789422.db2.gz VUKUXWLTUBUWGS-UHFFFAOYSA-N 1 2 322.368 2.265 50 0 DEAALO CNC(=O)C[N@H+](C)Cc1c(-c2ccccc2)nc2sccn21 ZINC000014269255 401811223 /nfs/dbraw/zinc/81/12/23/401811223.db2.gz QDMKNHIANKNSQJ-UHFFFAOYSA-N 1 2 314.414 2.241 50 0 DEAALO CNC(=O)C[N@@H+](C)Cc1c(-c2ccccc2)nc2sccn21 ZINC000014269255 401811225 /nfs/dbraw/zinc/81/12/25/401811225.db2.gz QDMKNHIANKNSQJ-UHFFFAOYSA-N 1 2 314.414 2.241 50 0 DEAALO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000013115221 401796703 /nfs/dbraw/zinc/79/67/03/401796703.db2.gz BNBLLJXSSOBSBI-QGZVFWFLSA-N 1 2 316.426 2.364 50 0 DEAALO C[N@H+]1CCN(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000013115221 401796704 /nfs/dbraw/zinc/79/67/04/401796704.db2.gz BNBLLJXSSOBSBI-QGZVFWFLSA-N 1 2 316.426 2.364 50 0 DEAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC)c(OCC)c2)CC1 ZINC000019633097 401822438 /nfs/dbraw/zinc/82/24/38/401822438.db2.gz HCZWCQLPIHBPRQ-UHFFFAOYSA-N 1 2 322.405 2.368 50 0 DEAALO Nc1ccc2c(c1)[nH+]c1n2CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000020739587 401824772 /nfs/dbraw/zinc/82/47/72/401824772.db2.gz PCQBQHMWFDLPBS-UHFFFAOYSA-N 1 2 322.368 2.363 50 0 DEAALO C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000024060535 401829347 /nfs/dbraw/zinc/82/93/47/401829347.db2.gz AUOSRZZDLBOOEX-CABCVRRESA-N 1 2 302.422 2.492 50 0 DEAALO O=S(=O)(NCc1ccc(N2CCCC2)[nH+]c1)c1cccs1 ZINC000028040922 401849561 /nfs/dbraw/zinc/84/95/61/401849561.db2.gz ATIJZZPOXYVACR-UHFFFAOYSA-N 1 2 323.443 2.222 50 0 DEAALO Cc1noc(C)c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030011721 401860668 /nfs/dbraw/zinc/86/06/68/401860668.db2.gz URRNOUMFQQDKKF-UHFFFAOYSA-N 1 2 300.362 2.217 50 0 DEAALO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1F ZINC000087037613 401926714 /nfs/dbraw/zinc/92/67/14/401926714.db2.gz UYZBRKNUXBEXNW-KGLIPLIRSA-N 1 2 323.412 2.215 50 0 DEAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@H]1CCCO1 ZINC000042867062 401935397 /nfs/dbraw/zinc/93/53/97/401935397.db2.gz FUSDYGDGLDEHSL-CQSZACIVSA-N 1 2 316.405 2.213 50 0 DEAALO CCN1C(=O)[C@@H](CC(C)C)[NH2+]C12CCN(C(=O)CC(C)C)CC2 ZINC000036032569 401901568 /nfs/dbraw/zinc/90/15/68/401901568.db2.gz GNPSUXYOFORJDL-OAHLLOKOSA-N 1 2 323.481 2.218 50 0 DEAALO Cn1ccc(C(=O)N(CC[NH+]2CCOCC2)c2ccccc2)c1 ZINC000084318903 401904935 /nfs/dbraw/zinc/90/49/35/401904935.db2.gz JYQLLKWSAXACRW-UHFFFAOYSA-N 1 2 313.401 2.004 50 0 DEAALO CCN(CC(=O)Nc1cccc(OC)c1)c1cc[nH+]c(C)n1 ZINC000084482570 401906163 /nfs/dbraw/zinc/90/61/63/401906163.db2.gz RDEUIDPMJSSGQG-UHFFFAOYSA-N 1 2 300.362 2.259 50 0 DEAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H]1CCCO1 ZINC000044966237 401951594 /nfs/dbraw/zinc/95/15/94/401951594.db2.gz OBBUKCQIBHCMID-OAHLLOKOSA-N 1 2 318.421 2.050 50 0 DEAALO CCN(CC)c1ccc(CNC(=O)N2CCSCC2)c[nH+]1 ZINC000044968576 401952266 /nfs/dbraw/zinc/95/22/66/401952266.db2.gz TXHRQRBGHHMDLW-UHFFFAOYSA-N 1 2 308.451 2.186 50 0 DEAALO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000046485361 401969887 /nfs/dbraw/zinc/96/98/87/401969887.db2.gz JMNFNBBGQUDMTQ-ZIAGYGMSSA-N 1 2 323.462 2.315 50 0 DEAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)NC1CCCCC1 ZINC000048340544 401998466 /nfs/dbraw/zinc/99/84/66/401998466.db2.gz AVJRHMOIVAZABI-UHFFFAOYSA-N 1 2 318.421 2.050 50 0 DEAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000047867971 401989946 /nfs/dbraw/zinc/98/99/46/401989946.db2.gz GJAIGPDBTJWQEC-GXTWGEPZSA-N 1 2 300.362 2.095 50 0 DEAALO Cc1cc(C(=O)NCC2CCN(c3cccc[nH+]3)CC2)no1 ZINC000043975352 401940014 /nfs/dbraw/zinc/94/00/14/401940014.db2.gz NIAFCZJNOVLWDQ-UHFFFAOYSA-N 1 2 300.362 2.024 50 0 DEAALO Cn1c2ccccc2[nH+]c1N1CCN(c2ccc(F)cn2)CC1 ZINC000089262865 401940669 /nfs/dbraw/zinc/94/06/69/401940669.db2.gz ONYYFEQRGLFHNH-UHFFFAOYSA-N 1 2 311.364 2.434 50 0 DEAALO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)OCC(F)(F)F)c1C ZINC000050448163 402028487 /nfs/dbraw/zinc/02/84/87/402028487.db2.gz FYOYKOTZDZWHLT-JTQLQIEISA-N 1 2 320.311 2.291 50 0 DEAALO CCC[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1[nH+]ccn1C ZINC000055119231 402075983 /nfs/dbraw/zinc/07/59/83/402075983.db2.gz JTAILGCRSZSIGU-CQSZACIVSA-N 1 2 320.437 2.217 50 0 DEAALO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H](C)c1ccc(C)o1 ZINC000096408642 402079239 /nfs/dbraw/zinc/07/92/39/402079239.db2.gz ZOYBREWIWCLAPY-SNVBAGLBSA-N 1 2 315.333 2.074 50 0 DEAALO CCc1csc(NC(=O)NCc2cc[nH+]c(N(C)C)c2)n1 ZINC000096435581 402086278 /nfs/dbraw/zinc/08/62/78/402086278.db2.gz LJVIFEZCTRABKR-UHFFFAOYSA-N 1 2 305.407 2.488 50 0 DEAALO c1cn(-c2cccc(OCc3nnnn3-c3ccccc3)c2)c[nH+]1 ZINC000096447952 402089110 /nfs/dbraw/zinc/08/91/10/402089110.db2.gz MIRJOOFUKZGDFS-UHFFFAOYSA-N 1 2 318.340 2.427 50 0 DEAALO COc1cc(C[NH+]2CCN(CC(F)F)CC2)cc(OC)c1 ZINC000096447095 402089387 /nfs/dbraw/zinc/08/93/87/402089387.db2.gz IHEHRMJLTQSSGU-UHFFFAOYSA-N 1 2 300.349 2.087 50 0 DEAALO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000096475510 402093456 /nfs/dbraw/zinc/09/34/56/402093456.db2.gz MHXKYCGNGJOQDG-NSHDSACASA-N 1 2 324.377 2.447 50 0 DEAALO COC(=O)C[C@H]1CSCC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000096475510 402093460 /nfs/dbraw/zinc/09/34/60/402093460.db2.gz MHXKYCGNGJOQDG-NSHDSACASA-N 1 2 324.377 2.447 50 0 DEAALO Cc1nnc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000096490790 402095797 /nfs/dbraw/zinc/09/57/97/402095797.db2.gz NZJGUKKUXPLGCG-JTQLQIEISA-N 1 2 300.391 2.278 50 0 DEAALO C[NH+]1CCN(C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000058019300 402098239 /nfs/dbraw/zinc/09/82/39/402098239.db2.gz VGSTWDFMDROQAF-GFCCVEGCSA-N 1 2 305.422 2.213 50 0 DEAALO COc1cccc(/C=C\C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000096536730 402098798 /nfs/dbraw/zinc/09/87/98/402098798.db2.gz SXIKWNTZGYUURK-HJWRWDBZSA-N 1 2 323.396 2.452 50 0 DEAALO Cn1c(C[NH2+][C@@H](CO)c2ccccc2)nnc1-c1ccccc1 ZINC000097081882 402104749 /nfs/dbraw/zinc/10/47/49/402104749.db2.gz YOGLAYHWJYYYQC-INIZCTEOSA-N 1 2 308.385 2.305 50 0 DEAALO Cn1c2ccccc2[nH+]c1N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000097104419 402107884 /nfs/dbraw/zinc/10/78/84/402107884.db2.gz CUCFRPTZTJYVNL-INIZCTEOSA-N 1 2 324.384 2.452 50 0 DEAALO CCCCOc1ccccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000097162174 402112989 /nfs/dbraw/zinc/11/29/89/402112989.db2.gz NQJMJFLFZHZSIR-HNNXBMFYSA-N 1 2 303.406 2.075 50 0 DEAALO CCCCOc1ccccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000097162174 402112991 /nfs/dbraw/zinc/11/29/91/402112991.db2.gz NQJMJFLFZHZSIR-HNNXBMFYSA-N 1 2 303.406 2.075 50 0 DEAALO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097203582 402117721 /nfs/dbraw/zinc/11/77/21/402117721.db2.gz HHTKZOGOVKXJEX-SNVBAGLBSA-N 1 2 305.407 2.073 50 0 DEAALO Cc1c2c(nn1Cc1ccccc1)NC(=O)C[C@H]2c1[nH+]ccn1C ZINC000065535618 402126200 /nfs/dbraw/zinc/12/62/00/402126200.db2.gz MDWZGLYLVGBHCE-CQSZACIVSA-N 1 2 321.384 2.447 50 0 DEAALO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccnn2C)CC1 ZINC000097378455 402123584 /nfs/dbraw/zinc/12/35/84/402123584.db2.gz QZTJSZMTIRLXNN-LBPRGKRZSA-N 1 2 304.419 2.001 50 0 DEAALO Nc1cc(N2CCc3[nH]nc(-c4ccccc4F)c3C2)[nH+]cn1 ZINC000067741756 402171234 /nfs/dbraw/zinc/17/12/34/402171234.db2.gz ZUBVPESZMVCWIA-UHFFFAOYSA-N 1 2 310.336 2.151 50 0 DEAALO CN(C)c1[nH+]cccc1CNC(=O)c1cccc(-c2cn[nH]c2)c1 ZINC000067842806 402174604 /nfs/dbraw/zinc/17/46/04/402174604.db2.gz MHZIKFZJLZCFDF-UHFFFAOYSA-N 1 2 321.384 2.468 50 0 DEAALO O=C1CCCN1c1cccc(C[NH2+]Cc2nc(C3CC3)no2)c1 ZINC000069157734 402214880 /nfs/dbraw/zinc/21/48/80/402214880.db2.gz NYOGSVLVFAOTEE-UHFFFAOYSA-N 1 2 312.373 2.364 50 0 DEAALO O=C(C[N@@H+]1CCc2sccc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000106826807 402216889 /nfs/dbraw/zinc/21/68/89/402216889.db2.gz ZCXPFHRXHQSPAR-HUUCEWRRSA-N 1 2 320.458 2.276 50 0 DEAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000106826807 402216890 /nfs/dbraw/zinc/21/68/90/402216890.db2.gz ZCXPFHRXHQSPAR-HUUCEWRRSA-N 1 2 320.458 2.276 50 0 DEAALO C[C@@H](CNc1nnc(C(F)(F)F)s1)[N@@H+]1CCOC[C@H]1C ZINC000154616264 402221782 /nfs/dbraw/zinc/22/17/82/402221782.db2.gz SCNYHMHDLGOYJR-JGVFFNPUSA-N 1 2 310.345 2.078 50 0 DEAALO C[C@@H](CNc1nnc(C(F)(F)F)s1)[N@H+]1CCOC[C@H]1C ZINC000154616264 402221784 /nfs/dbraw/zinc/22/17/84/402221784.db2.gz SCNYHMHDLGOYJR-JGVFFNPUSA-N 1 2 310.345 2.078 50 0 DEAALO Cc1n[nH]c(C)c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000069455326 402224732 /nfs/dbraw/zinc/22/47/32/402224732.db2.gz MEQAWXCCMICRDB-UHFFFAOYSA-N 1 2 309.373 2.201 50 0 DEAALO CCc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000069535616 402230658 /nfs/dbraw/zinc/23/06/58/402230658.db2.gz UVAHQTZMRNKWBN-UONOGXRCSA-N 1 2 315.421 2.467 50 0 DEAALO C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccc(Cl)s2)CCO1 ZINC000069589660 402233171 /nfs/dbraw/zinc/23/31/71/402233171.db2.gz RCZUNKUPQQTQHM-SNVBAGLBSA-N 1 2 302.827 2.081 50 0 DEAALO C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(Cl)s2)CCO1 ZINC000069589660 402233175 /nfs/dbraw/zinc/23/31/75/402233175.db2.gz RCZUNKUPQQTQHM-SNVBAGLBSA-N 1 2 302.827 2.081 50 0 DEAALO CC(C)c1cccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000069619936 402234329 /nfs/dbraw/zinc/23/43/29/402234329.db2.gz TWVVTVNMQFJIRP-INIZCTEOSA-N 1 2 304.438 2.177 50 0 DEAALO CC(C)c1cccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000069619936 402234332 /nfs/dbraw/zinc/23/43/32/402234332.db2.gz TWVVTVNMQFJIRP-INIZCTEOSA-N 1 2 304.438 2.177 50 0 DEAALO Cc1noc([C@H](C)[N@@H+]2CCCC[C@H]2Cn2nc(C)nc2C)n1 ZINC000069620747 402234513 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Cc1ccc(C[N@@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)c(C)c1 ZINC000054418098 402067910 /nfs/dbraw/zinc/06/79/10/402067910.db2.gz RYBZVPQHWOYOLK-UHFFFAOYSA-N 1 2 311.389 2.318 50 0 DEAALO Cc1ccc(C[N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)c(C)c1 ZINC000054418098 402067913 /nfs/dbraw/zinc/06/79/13/402067913.db2.gz RYBZVPQHWOYOLK-UHFFFAOYSA-N 1 2 311.389 2.318 50 0 DEAALO O=c1oc(-c2cccs2)nn1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000054495688 402068623 /nfs/dbraw/zinc/06/86/23/402068623.db2.gz DROXMMCCTGXGBP-NSHDSACASA-N 1 2 321.402 2.023 50 0 DEAALO O=c1oc(-c2cccs2)nn1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000054495688 402068625 /nfs/dbraw/zinc/06/86/25/402068625.db2.gz DROXMMCCTGXGBP-NSHDSACASA-N 1 2 321.402 2.023 50 0 DEAALO C[C@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H](c2ccccc2)O1 ZINC000065491719 402125316 /nfs/dbraw/zinc/12/53/16/402125316.db2.gz MLTPWYSGTFHTDA-KBXCAEBGSA-N 1 2 324.428 2.431 50 0 DEAALO C[C@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H](c2ccccc2)O1 ZINC000065491719 402125318 /nfs/dbraw/zinc/12/53/18/402125318.db2.gz MLTPWYSGTFHTDA-KBXCAEBGSA-N 1 2 324.428 2.431 50 0 DEAALO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000097402443 402124344 /nfs/dbraw/zinc/12/43/44/402124344.db2.gz YODMXGGOGACLAJ-WMHVBEDNSA-N 1 2 323.458 2.465 50 0 DEAALO COc1ccc(/C=C/C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000097402443 402124345 /nfs/dbraw/zinc/12/43/45/402124345.db2.gz YODMXGGOGACLAJ-WMHVBEDNSA-N 1 2 323.458 2.465 50 0 DEAALO CCNC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844930 402143794 /nfs/dbraw/zinc/14/37/94/402143794.db2.gz CDOLPPOSTZVANZ-CQSZACIVSA-N 1 2 314.788 2.379 50 0 DEAALO CCNC(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844930 402143796 /nfs/dbraw/zinc/14/37/96/402143796.db2.gz CDOLPPOSTZVANZ-CQSZACIVSA-N 1 2 314.788 2.379 50 0 DEAALO O=S(=O)(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccnc1 ZINC000102697568 402170771 /nfs/dbraw/zinc/17/07/71/402170771.db2.gz HNBCBWFYAWWSGS-UHFFFAOYSA-N 1 2 300.343 2.273 50 0 DEAALO Cc1csc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)n1 ZINC000069326654 402218480 /nfs/dbraw/zinc/21/84/80/402218480.db2.gz FSYHYLHUNICTQX-UHFFFAOYSA-N 1 2 313.430 2.421 50 0 DEAALO COc1ccc(C)cc1C[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000069459677 402225115 /nfs/dbraw/zinc/22/51/15/402225115.db2.gz QXNCNWOWGVOPRE-QGZVFWFLSA-N 1 2 315.417 2.410 50 0 DEAALO COc1ccc(C)cc1C[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000069459677 402225117 /nfs/dbraw/zinc/22/51/17/402225117.db2.gz QXNCNWOWGVOPRE-QGZVFWFLSA-N 1 2 315.417 2.410 50 0 DEAALO Cc1cc(C)cc(OCCNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000069488546 402226041 /nfs/dbraw/zinc/22/60/41/402226041.db2.gz XCNYVKLJGCRCMR-HNNXBMFYSA-N 1 2 316.405 2.267 50 0 DEAALO CC(C)n1cc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)cn1 ZINC000069560861 402230843 /nfs/dbraw/zinc/23/08/43/402230843.db2.gz XYZMFJNUEBCREB-UHFFFAOYSA-N 1 2 316.405 2.405 50 0 DEAALO CC(C)n1cc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)cn1 ZINC000069560861 402230846 /nfs/dbraw/zinc/23/08/46/402230846.db2.gz XYZMFJNUEBCREB-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/23/73/08/402237308.db2.gz NLWNVGOTBUGSKF-INIZCTEOSA-N 1 2 316.449 2.294 50 0 DEAALO CCCc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3C)C2)n[nH]1 ZINC000069899508 402250177 /nfs/dbraw/zinc/25/01/77/402250177.db2.gz OSJIAKSGVUWDSE-AWEZNQCLSA-N 1 2 301.394 2.344 50 0 DEAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3)nn2)cn1 ZINC000071797158 402278035 /nfs/dbraw/zinc/27/80/35/402278035.db2.gz LSUOFFDDVKJQPS-QGZVFWFLSA-N 1 2 308.389 2.338 50 0 DEAALO Cn1cc([C@H]2CCC[N@H+]2Cc2cn(-c3ccccc3)nn2)cn1 ZINC000071797158 402278037 /nfs/dbraw/zinc/27/80/37/402278037.db2.gz LSUOFFDDVKJQPS-QGZVFWFLSA-N 1 2 308.389 2.338 50 0 DEAALO OC[C@H]1COCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000215602824 402284195 /nfs/dbraw/zinc/28/41/95/402284195.db2.gz CJIUYSNXXOQDLS-SFHVURJKSA-N 1 2 313.397 2.459 50 0 DEAALO OC[C@H]1COCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000215602824 402284196 /nfs/dbraw/zinc/28/41/96/402284196.db2.gz CJIUYSNXXOQDLS-SFHVURJKSA-N 1 2 313.397 2.459 50 0 DEAALO O=C([C@@H]1C[C@@H]1c1ccco1)N1CC[NH+](Cc2ccco2)CC1 ZINC000071835173 402286035 /nfs/dbraw/zinc/28/60/35/402286035.db2.gz JPRXLTLJUQTVCN-LSDHHAIUSA-N 1 2 300.358 2.321 50 0 DEAALO O=S(=O)(Cc1[nH+]ccn1Cc1ccccc1)C[C@H]1CCCO1 ZINC000071850393 402288062 /nfs/dbraw/zinc/28/80/62/402288062.db2.gz QNXOAJWIEGJUNX-OAHLLOKOSA-N 1 2 320.414 2.025 50 0 DEAALO Cc1ccc(CCNC(=O)C[N@@H+](C)Cc2cccnc2)s1 ZINC000221447680 402303903 /nfs/dbraw/zinc/30/39/03/402303903.db2.gz RUDUYTPZEHQRJZ-UHFFFAOYSA-N 1 2 303.431 2.242 50 0 DEAALO Cc1ccc(CCNC(=O)C[N@H+](C)Cc2cccnc2)s1 ZINC000221447680 402303906 /nfs/dbraw/zinc/30/39/06/402303906.db2.gz RUDUYTPZEHQRJZ-UHFFFAOYSA-N 1 2 303.431 2.242 50 0 DEAALO O[C@@H](C[N@@H+]1CCO[C@@H](c2nccs2)C1)c1ccccc1F ZINC000222212650 402306443 /nfs/dbraw/zinc/30/64/43/402306443.db2.gz DKZRQEUJDRXXSI-UONOGXRCSA-N 1 2 308.378 2.389 50 0 DEAALO O[C@@H](C[N@H+]1CCO[C@@H](c2nccs2)C1)c1ccccc1F ZINC000222212650 402306445 /nfs/dbraw/zinc/30/64/45/402306445.db2.gz DKZRQEUJDRXXSI-UONOGXRCSA-N 1 2 308.378 2.389 50 0 DEAALO CC(C)(C)C[C@@H](CO)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000225482194 402318789 /nfs/dbraw/zinc/31/87/89/402318789.db2.gz IQBCMKMQSKNILL-LBPRGKRZSA-N 1 2 310.467 2.239 50 0 DEAALO CC(C)(C)C[C@@H](CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000225482194 402318793 /nfs/dbraw/zinc/31/87/93/402318793.db2.gz IQBCMKMQSKNILL-LBPRGKRZSA-N 1 2 310.467 2.239 50 0 DEAALO C[C@@H](NC(=O)C[N@@H+]1CCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000229469813 402343067 /nfs/dbraw/zinc/34/30/67/402343067.db2.gz GQYINVFGCQWKOQ-LSDHHAIUSA-N 1 2 316.445 2.463 50 0 DEAALO C[C@@H](NC(=O)C[N@H+]1CCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000229469813 402343071 /nfs/dbraw/zinc/34/30/71/402343071.db2.gz GQYINVFGCQWKOQ-LSDHHAIUSA-N 1 2 316.445 2.463 50 0 DEAALO CCc1cc(=O)[nH]c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)n1 ZINC000177504303 402409988 /nfs/dbraw/zinc/40/99/88/402409988.db2.gz NNFMVTXMHVRFIQ-CYBMUJFWSA-N 1 2 315.373 2.016 50 0 DEAALO CCc1cc(=O)[nH]c(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)n1 ZINC000177504303 402409990 /nfs/dbraw/zinc/40/99/90/402409990.db2.gz NNFMVTXMHVRFIQ-CYBMUJFWSA-N 1 2 315.373 2.016 50 0 DEAALO Cc1[nH+]c2ccccc2n1CCC(=O)NCC1(CO)CCCC1 ZINC000244874246 402451093 /nfs/dbraw/zinc/45/10/93/402451093.db2.gz WXEKIZQCRSCUNZ-UHFFFAOYSA-N 1 2 315.417 2.404 50 0 DEAALO CCc1nsc(N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000240471593 402442547 /nfs/dbraw/zinc/44/25/47/402442547.db2.gz GCZKEDDLGVFEJI-LLVKDONJSA-N 1 2 319.434 2.219 50 0 DEAALO O=C(C1CC[NH+](CC(F)F)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000241465918 402443326 /nfs/dbraw/zinc/44/33/26/402443326.db2.gz NSYMKAJBVAGJLV-KGLIPLIRSA-N 1 2 316.392 2.134 50 0 DEAALO CCCc1cc(CNC(=O)CC2=CSC3=[NH+]CCCN23)on1 ZINC000244691939 402448193 /nfs/dbraw/zinc/44/81/93/402448193.db2.gz JLPNNFGXHAAXSD-UHFFFAOYSA-N 1 2 320.418 2.283 50 0 DEAALO CSc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccn(C)n1)C2 ZINC000244723641 402448812 /nfs/dbraw/zinc/44/88/12/402448812.db2.gz MEWYBPYLGFLLAI-UHFFFAOYSA-N 1 2 316.430 2.139 50 0 DEAALO CSc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccn(C)n1)C2 ZINC000244723641 402448813 /nfs/dbraw/zinc/44/88/13/402448813.db2.gz MEWYBPYLGFLLAI-UHFFFAOYSA-N 1 2 316.430 2.139 50 0 DEAALO COC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)C1 ZINC000164834484 402469175 /nfs/dbraw/zinc/46/91/75/402469175.db2.gz QYRWOAVJVJJOLB-AEFFLSMTSA-N 1 2 317.433 2.369 50 0 DEAALO COC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)C1 ZINC000164834484 402469178 /nfs/dbraw/zinc/46/91/78/402469178.db2.gz QYRWOAVJVJJOLB-AEFFLSMTSA-N 1 2 317.433 2.369 50 0 DEAALO Cc1cc(OCC(=O)N2CCOCC2)c2cccc(C)c2[nH+]1 ZINC000170626198 402508213 /nfs/dbraw/zinc/50/82/13/402508213.db2.gz YKGZDHPSBSQKCL-UHFFFAOYSA-N 1 2 300.358 2.089 50 0 DEAALO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000188918000 402527959 /nfs/dbraw/zinc/52/79/59/402527959.db2.gz XGQUFABETSMMER-MRXNPFEDSA-N 1 2 316.449 2.028 50 0 DEAALO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000188918000 402527962 /nfs/dbraw/zinc/52/79/62/402527962.db2.gz XGQUFABETSMMER-MRXNPFEDSA-N 1 2 316.449 2.028 50 0 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/nfs/dbraw/zinc/30/10/08/402301008.db2.gz IWMUDWOSVINLQU-LLVKDONJSA-N 1 2 320.443 2.457 50 0 DEAALO O=C(NCCn1ccc2ccccc21)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225511833 402319396 /nfs/dbraw/zinc/31/93/96/402319396.db2.gz HXQDTRSMCJRLKI-CQSZACIVSA-N 1 2 308.385 2.286 50 0 DEAALO O=C(NCCn1ccc2ccccc21)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225511833 402319399 /nfs/dbraw/zinc/31/93/99/402319399.db2.gz HXQDTRSMCJRLKI-CQSZACIVSA-N 1 2 308.385 2.286 50 0 DEAALO CC1(C)[C@H](NC(=O)NCCCCn2cc[nH+]c2)[C@@H]2CCCO[C@H]21 ZINC000230109727 402347390 /nfs/dbraw/zinc/34/73/90/402347390.db2.gz HRZILXURUWXWLU-RRFJBIMHSA-N 1 2 320.437 2.166 50 0 DEAALO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC000170849891 402532595 /nfs/dbraw/zinc/53/25/95/402532595.db2.gz TXSRPUANCMECSO-OAHLLOKOSA-N 1 2 311.385 2.330 50 0 DEAALO Cn1c[nH+]cc1CCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000193076164 402763426 /nfs/dbraw/zinc/76/34/26/402763426.db2.gz QZJHKXGVICUTSZ-AEFFLSMTSA-N 1 2 313.401 2.389 50 0 DEAALO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)no1 ZINC000279585101 402958315 /nfs/dbraw/zinc/95/83/15/402958315.db2.gz NOGXPCORPWOTMF-KBPBESRZSA-N 1 2 316.405 2.454 50 0 DEAALO COc1cccc([C@@H](O)CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000277327486 403205891 /nfs/dbraw/zinc/20/58/91/403205891.db2.gz DUTYZAMBHCTWSA-HNNXBMFYSA-N 1 2 314.389 2.231 50 0 DEAALO COc1cccc([C@@H](O)CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000277327486 403205892 /nfs/dbraw/zinc/20/58/92/403205892.db2.gz DUTYZAMBHCTWSA-HNNXBMFYSA-N 1 2 314.389 2.231 50 0 DEAALO CCCn1c(C)nnc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000270829628 403229252 /nfs/dbraw/zinc/22/92/52/403229252.db2.gz RTWCFASSEHPWSS-MRXNPFEDSA-N 1 2 300.406 2.088 50 0 DEAALO CCCn1c(C)nnc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000270829628 403229253 /nfs/dbraw/zinc/22/92/53/403229253.db2.gz RTWCFASSEHPWSS-MRXNPFEDSA-N 1 2 300.406 2.088 50 0 DEAALO CNc1nc(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)cs1 ZINC000271187493 403275855 /nfs/dbraw/zinc/27/58/55/403275855.db2.gz NLKUNVGEKXBYOJ-UHFFFAOYSA-N 1 2 307.427 2.171 50 0 DEAALO CNc1nc(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)cs1 ZINC000271187493 403275857 /nfs/dbraw/zinc/27/58/57/403275857.db2.gz NLKUNVGEKXBYOJ-UHFFFAOYSA-N 1 2 307.427 2.171 50 0 DEAALO CC[C@H](C(=O)N1CCc2c(Cl)cccc2C1)[NH+]1CCOCC1 ZINC000299755901 403566733 /nfs/dbraw/zinc/56/67/33/403566733.db2.gz FZMBLBRLIGTGBG-MRXNPFEDSA-N 1 2 322.836 2.336 50 0 DEAALO Cc1nnc(C[N@@H+]2CCC[C@H](C(=O)c3ccccn3)C2)s1 ZINC000299798213 403578113 /nfs/dbraw/zinc/57/81/13/403578113.db2.gz RHUTVVSDJBTBSK-LBPRGKRZSA-N 1 2 302.403 2.336 50 0 DEAALO Cc1nnc(C[N@H+]2CCC[C@H](C(=O)c3ccccn3)C2)s1 ZINC000299798213 403578118 /nfs/dbraw/zinc/57/81/18/403578118.db2.gz RHUTVVSDJBTBSK-LBPRGKRZSA-N 1 2 302.403 2.336 50 0 DEAALO O=C(c1onc2c1CCCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000426547722 405368613 /nfs/dbraw/zinc/36/86/13/405368613.db2.gz YRAISBXJCJIIFM-NSHDSACASA-N 1 2 300.362 2.296 50 0 DEAALO CN(CCCc1[nH+]ccn1C)C(=O)NCc1ccccc1F ZINC000426615146 405371612 /nfs/dbraw/zinc/37/16/12/405371612.db2.gz 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424851374 /nfs/dbraw/zinc/85/13/74/424851374.db2.gz FWDWVDAZSWXKFG-CHWSQXEVSA-N 1 2 314.426 2.125 50 0 DEAALO CC[C@@H](C(=O)Nc1cc(C)on1)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000065474459 280082518 /nfs/dbraw/zinc/08/25/18/280082518.db2.gz GGWVSAUWGFUWJV-ZDUSSCGKSA-N 1 2 317.393 2.029 50 0 DEAALO C[N@@H+]1CC[C@H](NC(=O)C2(O)CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096487296 290201234 /nfs/dbraw/zinc/20/12/34/290201234.db2.gz ACYVAEANKNRKDH-GJZGRUSLSA-N 1 2 324.371 2.131 50 0 DEAALO C[N@H+]1CC[C@H](NC(=O)C2(O)CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096487296 290201238 /nfs/dbraw/zinc/20/12/38/290201238.db2.gz ACYVAEANKNRKDH-GJZGRUSLSA-N 1 2 324.371 2.131 50 0 DEAALO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1 ZINC000005369822 295025100 /nfs/dbraw/zinc/02/51/00/295025100.db2.gz GURAPXCBWUNYJF-ZJUUUORDSA-N 1 2 320.798 2.133 50 0 DEAALO CC[C@@H](NC(=O)c1cccc(-c2[nH]cc[nH+]2)c1)c1ncnn1C ZINC000534653792 334312906 /nfs/dbraw/zinc/31/29/06/334312906.db2.gz DFZLPCYZHWTCGW-CYBMUJFWSA-N 1 2 310.361 2.086 50 0 DEAALO COC(=O)c1ccoc1CC1CC[NH+](Cc2ncccn2)CC1 ZINC000408525594 534300014 /nfs/dbraw/zinc/30/00/14/534300014.db2.gz HIZFXZWDEMIOMB-UHFFFAOYSA-N 1 2 315.373 2.311 50 0 DEAALO Cc1nc(C(C)C)oc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328929988 534877233 /nfs/dbraw/zinc/87/72/33/534877233.db2.gz HHDFEHYPGBASPM-LBPRGKRZSA-N 1 2 302.378 2.470 50 0 DEAALO C[C@@](O)(c1nc(Cc2ccc(-n3cc[nH+]c3)cc2)no1)C1CC1 ZINC000585120634 778826251 /nfs/dbraw/zinc/82/62/51/778826251.db2.gz YVKDNCYCUCUIFD-KRWDZBQOSA-N 1 2 310.357 2.464 50 0 DEAALO C[N@H+](CC(=O)NCCn1ccc2ccccc21)Cc1cccnc1 ZINC000827825756 783693129 /nfs/dbraw/zinc/69/31/29/783693129.db2.gz KLTMDZHVQFXOIE-UHFFFAOYSA-N 1 2 322.412 2.285 50 0 DEAALO C[N@@H+](CC(=O)NCCn1ccc2ccccc21)Cc1cccnc1 ZINC000827825756 783693132 /nfs/dbraw/zinc/69/31/32/783693132.db2.gz KLTMDZHVQFXOIE-UHFFFAOYSA-N 1 2 322.412 2.285 50 0 DEAALO COC[C@H](C)[N@H+](Cc1ccnn1C)Cc1ccccc1OC ZINC001506431488 1061978133 /nfs/dbraw/zinc/97/81/33/1061978133.db2.gz MIUFPEVCVFWZKM-AWEZNQCLSA-N 1 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/nfs/dbraw/zinc/35/42/71/185354271.db2.gz CRPGFQPDMVWCKV-LSDHHAIUSA-N 1 2 317.433 2.419 50 0 DEAALO Cn1cc[nH+]c1C[S@@](=O)Cc1cccc(OC(F)F)c1 ZINC000095412184 185357759 /nfs/dbraw/zinc/35/77/59/185357759.db2.gz NCTFGLDIADDWMG-HXUWFJFHSA-N 1 2 300.330 2.470 50 0 DEAALO O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000095434239 185364182 /nfs/dbraw/zinc/36/41/82/185364182.db2.gz XWNHZIDIWRSAQU-HUUCEWRRSA-N 1 2 317.389 2.371 50 0 DEAALO O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000095434238 185364206 /nfs/dbraw/zinc/36/42/06/185364206.db2.gz XWNHZIDIWRSAQU-GJZGRUSLSA-N 1 2 317.389 2.371 50 0 DEAALO O=C(/C=C\c1ccccc1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000097015848 185397165 /nfs/dbraw/zinc/39/71/65/185397165.db2.gz MLDNYRSPZBEKDZ-HJWRWDBZSA-N 1 2 323.396 2.248 50 0 DEAALO CCCNc1cc(N2CCC[C@H](CCC(=O)NC)C2)nc[nH+]1 ZINC000065242390 539344584 /nfs/dbraw/zinc/34/45/84/539344584.db2.gz DIHFEIYBVCMEIN-CYBMUJFWSA-N 1 2 305.426 2.041 50 0 DEAALO CCCNc1cc(N2CCC[C@H](CCC(=O)NC)C2)[nH+]cn1 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C[C@@H]1CCO[C@@]2(O1)c1ccccc1N(C[NH+]1CCCCC1)C2=O ZINC000004727780 401727373 /nfs/dbraw/zinc/72/73/73/401727373.db2.gz YYCVQZOWACJDPU-RDTXWAMCSA-N 1 2 316.401 2.455 50 0 DEAALO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000006726175 401732105 /nfs/dbraw/zinc/73/21/05/401732105.db2.gz FCONCUXFVSNPKK-UHFFFAOYSA-N 1 2 324.428 2.405 50 0 DEAALO Cc1cc(N)nc(SCC(=O)Nc2ccc(F)c(F)c2)[nH+]1 ZINC000007047917 401735974 /nfs/dbraw/zinc/73/59/74/401735974.db2.gz JZKTZVFUHVDUCS-UHFFFAOYSA-N 1 2 310.329 2.376 50 0 DEAALO CC(=O)NCCc1ccc(C2=CSC3=[NH+]CCCN23)cc1 ZINC000008133579 401748988 /nfs/dbraw/zinc/74/89/88/401748988.db2.gz FISYXRUQNUBXPG-UHFFFAOYSA-N 1 2 301.415 2.472 50 0 DEAALO C[N@H+](CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000007796887 401744423 /nfs/dbraw/zinc/74/44/23/401744423.db2.gz KETZTYCRRNJFGE-UHFFFAOYSA-N 1 2 320.396 2.456 50 0 DEAALO C[N@@H+](CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000007796887 401744424 /nfs/dbraw/zinc/74/44/24/401744424.db2.gz KETZTYCRRNJFGE-UHFFFAOYSA-N 1 2 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FJZSMBDTTPCMCC-RISCZKNCSA-N 1 2 302.378 2.455 50 0 DEAALO C[C@H](CNC(=O)c1cccc2ccccc21)[NH+]1CCN(C)CC1 ZINC000071867442 401689025 /nfs/dbraw/zinc/68/90/25/401689025.db2.gz FYYWBYQHFXUILR-OAHLLOKOSA-N 1 2 311.429 2.206 50 0 DEAALO Cc1cc(N)nc(S[C@@H]2CCN(c3ccccc3F)C2=O)[nH+]1 ZINC000071899869 401694548 /nfs/dbraw/zinc/69/45/48/401694548.db2.gz OBMGBOFGUVBZBX-GFCCVEGCSA-N 1 2 318.377 2.404 50 0 DEAALO Cc1ccc(O[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000008017552 401747156 /nfs/dbraw/zinc/74/71/56/401747156.db2.gz XTLHASYNFXWAFH-OAHLLOKOSA-N 1 2 301.390 2.474 50 0 DEAALO CO[C@@](C)(C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000072270304 401704879 /nfs/dbraw/zinc/70/48/79/401704879.db2.gz UXERZMUAPGYKKF-CRAIPNDOSA-N 1 2 313.401 2.184 50 0 DEAALO Cc1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)c[nH]1 ZINC000072282458 401706258 /nfs/dbraw/zinc/70/62/58/401706258.db2.gz QJXHKRYXCZGCSF-LBPRGKRZSA-N 1 2 316.380 2.376 50 0 DEAALO Cc1cc(Cl)ccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000013153617 401797302 /nfs/dbraw/zinc/79/73/02/401797302.db2.gz RHSULEQRSSMLJW-UHFFFAOYSA-N 1 2 307.781 2.430 50 0 DEAALO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014123248 401807792 /nfs/dbraw/zinc/80/77/92/401807792.db2.gz YFTURKZJQZRMAW-GHMZBOCLSA-N 1 2 318.450 2.479 50 0 DEAALO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000014123248 401807795 /nfs/dbraw/zinc/80/77/95/401807795.db2.gz YFTURKZJQZRMAW-GHMZBOCLSA-N 1 2 318.450 2.479 50 0 DEAALO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008307736 401751623 /nfs/dbraw/zinc/75/16/23/401751623.db2.gz FSEWQXUPHCMOGX-ZDUSSCGKSA-N 1 2 307.413 2.251 50 0 DEAALO O=C(N[C@H]1CCc2c1cccc2O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000075137206 401751660 /nfs/dbraw/zinc/75/16/60/401751660.db2.gz RYDWOUGWYQKEMX-HNNXBMFYSA-N 1 2 320.352 2.390 50 0 DEAALO Cc1cc(C)cc(OCc2noc(C[N@H+](CCO)C3CC3)n2)c1 ZINC000128040890 401760166 /nfs/dbraw/zinc/76/01/66/401760166.db2.gz FPCKSBKBVJJYFZ-UHFFFAOYSA-N 1 2 317.389 2.222 50 0 DEAALO Cc1cc(C)cc(OCc2noc(C[N@@H+](CCO)C3CC3)n2)c1 ZINC000128040890 401760167 /nfs/dbraw/zinc/76/01/67/401760167.db2.gz FPCKSBKBVJJYFZ-UHFFFAOYSA-N 1 2 317.389 2.222 50 0 DEAALO CCc1ncc2c(n1)C[N@@H+](Cc1cccc3c1OCCO3)CC2 ZINC000075605971 401764046 /nfs/dbraw/zinc/76/40/46/401764046.db2.gz DUGLYJYSLKWCJA-UHFFFAOYSA-N 1 2 311.385 2.369 50 0 DEAALO CCc1ncc2c(n1)C[N@H+](Cc1cccc3c1OCCO3)CC2 ZINC000075605971 401764050 /nfs/dbraw/zinc/76/40/50/401764050.db2.gz DUGLYJYSLKWCJA-UHFFFAOYSA-N 1 2 311.385 2.369 50 0 DEAALO Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000010088823 401767851 /nfs/dbraw/zinc/76/78/51/401767851.db2.gz XJKOPTFWZAZQMN-CQSZACIVSA-N 1 2 308.403 2.169 50 0 DEAALO CCC[C@@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3[nH+]2)C1=O ZINC000012531488 401786837 /nfs/dbraw/zinc/78/68/37/401786837.db2.gz FYTGRJPDXGYZMQ-NSHDSACASA-N 1 2 306.753 2.208 50 0 DEAALO CN(C)c1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)c[nH+]1 ZINC000012999173 401795419 /nfs/dbraw/zinc/79/54/19/401795419.db2.gz BGEFNEWTZVCUTF-UHFFFAOYSA-N 1 2 323.282 2.348 50 0 DEAALO Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077505888 401818163 /nfs/dbraw/zinc/81/81/63/401818163.db2.gz PLFZOOAKLMCFAF-CYBMUJFWSA-N 1 2 302.378 2.353 50 0 DEAALO CC(C)n1cnnc1C[N@H+](C)Cc1ccc2nsnc2c1 ZINC000077555159 401820240 /nfs/dbraw/zinc/82/02/40/401820240.db2.gz ZJUWLMNVNWFQLE-UHFFFAOYSA-N 1 2 302.407 2.496 50 0 DEAALO CC(C)n1cnnc1C[N@@H+](C)Cc1ccc2nsnc2c1 ZINC000077555159 401820242 /nfs/dbraw/zinc/82/02/42/401820242.db2.gz ZJUWLMNVNWFQLE-UHFFFAOYSA-N 1 2 302.407 2.496 50 0 DEAALO COc1ccc(C)c2sc(NCC[NH+]3CCOCC3)nc21 ZINC000026424180 401840396 /nfs/dbraw/zinc/84/03/96/401840396.db2.gz ABHSWXZLZRKQQJ-UHFFFAOYSA-N 1 2 307.419 2.357 50 0 DEAALO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000027034932 401843268 /nfs/dbraw/zinc/84/32/68/401843268.db2.gz HGCNCVFGZULNAO-RKDXNWHRSA-N 1 2 302.334 2.121 50 0 DEAALO CCc1noc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000027953452 401848625 /nfs/dbraw/zinc/84/86/25/401848625.db2.gz QODAQRSDNAWOIB-ZDUSSCGKSA-N 1 2 314.389 2.483 50 0 DEAALO CCc1noc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000027953452 401848628 /nfs/dbraw/zinc/84/86/28/401848628.db2.gz QODAQRSDNAWOIB-ZDUSSCGKSA-N 1 2 314.389 2.483 50 0 DEAALO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000079353323 401872233 /nfs/dbraw/zinc/87/22/33/401872233.db2.gz ZWWHGPCRYXYJOJ-RDJZCZTQSA-N 1 2 317.433 2.246 50 0 DEAALO C[C@H]1CN(c2ccc(CNC(=O)c3cccs3)c[nH+]2)CCO1 ZINC000040535980 401925568 /nfs/dbraw/zinc/92/55/68/401925568.db2.gz GUMOPJLQBRPKNG-LBPRGKRZSA-N 1 2 317.414 2.298 50 0 DEAALO C[C@@H]1CN(c2ccc(CNC(=O)c3ccoc3)c[nH+]2)C[C@H](C)O1 ZINC000040529363 401925959 /nfs/dbraw/zinc/92/59/59/401925959.db2.gz IYLYZVXGAJZRJB-BETUJISGSA-N 1 2 315.373 2.218 50 0 DEAALO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1SCCc2ccccc21 ZINC000079994142 401885686 /nfs/dbraw/zinc/88/56/86/401885686.db2.gz BHQYDIGBKMEIOX-OAHLLOKOSA-N 1 2 301.415 2.409 50 0 DEAALO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H](C)O1 ZINC000044914679 401950631 /nfs/dbraw/zinc/95/06/31/401950631.db2.gz OBUCYFSKNKHMDV-ZIAGYGMSSA-N 1 2 318.421 2.001 50 0 DEAALO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCCO2)c[nH+]1 ZINC000044968578 401952508 /nfs/dbraw/zinc/95/25/08/401952508.db2.gz VVERYTUUQIMONF-ZFWWWQNUSA-N 1 2 320.437 2.295 50 0 DEAALO CN(C)c1ccc(CNC(=O)c2cc(-c3ccco3)n[nH]2)c[nH+]1 ZINC000048314635 401998436 /nfs/dbraw/zinc/99/84/36/401998436.db2.gz OABFYSTWRGYDLS-UHFFFAOYSA-N 1 2 311.345 2.061 50 0 DEAALO Cn1cc[nH+]c1CN(C(=O)Cc1noc2ccccc21)C1CC1 ZINC000047237816 401980341 /nfs/dbraw/zinc/98/03/41/401980341.db2.gz FBVAYITXCGQQFU-UHFFFAOYSA-N 1 2 310.357 2.295 50 0 DEAALO CCc1nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c[nH]1 ZINC000089279892 401941288 /nfs/dbraw/zinc/94/12/88/401941288.db2.gz LZXHZQHWFIJNCI-UHFFFAOYSA-N 1 2 314.389 2.057 50 0 DEAALO CCOc1ncccc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000044891826 401949198 /nfs/dbraw/zinc/94/91/98/401949198.db2.gz JJZWNJQHGFPANE-UHFFFAOYSA-N 1 2 315.373 2.031 50 0 DEAALO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H](C)O1 ZINC000089496928 401950269 /nfs/dbraw/zinc/95/02/69/401950269.db2.gz OKJZGDDFTDXCFK-ABAIWWIYSA-N 1 2 318.348 2.136 50 0 DEAALO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H](C)O1 ZINC000089496928 401950270 /nfs/dbraw/zinc/95/02/70/401950270.db2.gz OKJZGDDFTDXCFK-ABAIWWIYSA-N 1 2 318.348 2.136 50 0 DEAALO C[NH+](C)[C@H](C(=O)NCCc1ccc(O)cc1)c1ccccc1F ZINC000095354000 402026971 /nfs/dbraw/zinc/02/69/71/402026971.db2.gz GLHRIBIAJHTWLO-KRWDZBQOSA-N 1 2 316.376 2.493 50 0 DEAALO C[NH+](C)[C@H](C(=O)NCCc1ccccn1)c1ccccc1F ZINC000095359470 402027494 /nfs/dbraw/zinc/02/74/94/402027494.db2.gz WSDXCOIHNFUAFS-INIZCTEOSA-N 1 2 301.365 2.182 50 0 DEAALO O=C(c1ccsc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000051450604 402034563 /nfs/dbraw/zinc/03/45/63/402034563.db2.gz BPMPOKMUOUGPLV-INIZCTEOSA-N 1 2 316.426 2.240 50 0 DEAALO Fc1ccc(N2CC[NH+](Cn3nnc4ccccc43)CC2)cc1 ZINC000052537406 402043841 /nfs/dbraw/zinc/04/38/41/402043841.db2.gz OHIKBXUXSUVOOZ-UHFFFAOYSA-N 1 2 311.364 2.350 50 0 DEAALO O=C(C[NH+]1CCC(C(F)(F)F)CC1)NC[C@@H]1CCCS1 ZINC000095993040 402044260 /nfs/dbraw/zinc/04/42/60/402044260.db2.gz ONRBMPMXXHKNBG-NSHDSACASA-N 1 2 310.385 2.273 50 0 DEAALO Cn1ncc2c1nc(C[N@@H+]1CCC[C@@H]1c1ccsc1)[nH]c2=O ZINC000052828004 402047792 /nfs/dbraw/zinc/04/77/92/402047792.db2.gz QYOIYZWRXISUPI-GFCCVEGCSA-N 1 2 315.402 2.055 50 0 DEAALO Cn1ncc2c1nc(C[N@H+]1CCC[C@@H]1c1ccsc1)[nH]c2=O ZINC000052828004 402047795 /nfs/dbraw/zinc/04/77/95/402047795.db2.gz QYOIYZWRXISUPI-GFCCVEGCSA-N 1 2 315.402 2.055 50 0 DEAALO Cc1cc(CS(=O)(=O)Cc2cn3c(cccc3C)[nH+]2)on1 ZINC000096404565 402078497 /nfs/dbraw/zinc/07/84/97/402078497.db2.gz FLCBTGCJSRXFQY-UHFFFAOYSA-N 1 2 305.359 2.054 50 0 DEAALO COCC[N@H+](Cc1cc(Cl)ccc1Cl)[C@@H](C)C(N)=O ZINC000096424200 402082981 /nfs/dbraw/zinc/08/29/81/402082981.db2.gz IVFFPWNCPSSZDD-VIFPVBQESA-N 1 2 305.205 2.316 50 0 DEAALO COCC[N@@H+](Cc1cc(Cl)ccc1Cl)[C@@H](C)C(N)=O ZINC000096424200 402082984 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O=C(NC[C@@H]1Cc2ccccc21)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058328032 184105608 /nfs/dbraw/zinc/10/56/08/184105608.db2.gz BLLSGLSKCLNUKK-HNNXBMFYSA-N 1 2 304.353 2.337 50 0 DEAALO Cc1csc(CNC(=O)C[N@@H+]2CCc3sccc3C2)n1 ZINC000058792511 184128639 /nfs/dbraw/zinc/12/86/39/184128639.db2.gz HRZBASXXNSAOES-UHFFFAOYSA-N 1 2 307.444 2.188 50 0 DEAALO Cc1csc(CNC(=O)C[N@H+]2CCc3sccc3C2)n1 ZINC000058792511 184128640 /nfs/dbraw/zinc/12/86/40/184128640.db2.gz HRZBASXXNSAOES-UHFFFAOYSA-N 1 2 307.444 2.188 50 0 DEAALO O=c1n2ccccc2nn1C[N@H+](CC1CCCCC1)C1CC1 ZINC000062582397 184244235 /nfs/dbraw/zinc/24/42/35/184244235.db2.gz YBBREFANQYYOSV-UHFFFAOYSA-N 1 2 300.406 2.498 50 0 DEAALO O=c1n2ccccc2nn1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000062582397 184244237 /nfs/dbraw/zinc/24/42/37/184244237.db2.gz YBBREFANQYYOSV-UHFFFAOYSA-N 1 2 300.406 2.498 50 0 DEAALO CCOc1ncnc2c1C[N@H+](C[C@@H](O)c1cccc(F)c1)CC2 ZINC000065521878 184358943 /nfs/dbraw/zinc/35/89/43/184358943.db2.gz QFNIKDVCNJYGIE-MRXNPFEDSA-N 1 2 317.364 2.106 50 0 DEAALO CCOc1ncnc2c1C[N@@H+](C[C@@H](O)c1cccc(F)c1)CC2 ZINC000065521878 184358945 /nfs/dbraw/zinc/35/89/45/184358945.db2.gz QFNIKDVCNJYGIE-MRXNPFEDSA-N 1 2 317.364 2.106 50 0 DEAALO Cc1ncc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000067688848 184479709 /nfs/dbraw/zinc/47/97/09/184479709.db2.gz AWZBYMSKHJKBKM-AWEZNQCLSA-N 1 2 301.394 2.135 50 0 DEAALO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000271615465 209062583 /nfs/dbraw/zinc/06/25/83/209062583.db2.gz WCVRDHSBSNPQFY-ZDUSSCGKSA-N 1 2 300.410 2.291 50 0 DEAALO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nnc2n1CCCC2 ZINC000271615465 209062585 /nfs/dbraw/zinc/06/25/85/209062585.db2.gz WCVRDHSBSNPQFY-ZDUSSCGKSA-N 1 2 300.410 2.291 50 0 DEAALO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1NS(C)(=O)=O ZINC000071885869 184888341 /nfs/dbraw/zinc/88/83/41/184888341.db2.gz UMNWRFWFUZIYPZ-UHFFFAOYSA-N 1 2 319.386 2.322 50 0 DEAALO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000547481277 285588290 /nfs/dbraw/zinc/58/82/90/285588290.db2.gz NKYNWYALSSAVIG-CQSZACIVSA-N 1 2 323.400 2.132 50 0 DEAALO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2nccn2C)cc1 ZINC000186587816 292171704 /nfs/dbraw/zinc/17/17/04/292171704.db2.gz GUHSYGOPGFAWSR-ZIAGYGMSSA-N 1 2 321.446 2.242 50 0 DEAALO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000007390732 401739735 /nfs/dbraw/zinc/73/97/35/401739735.db2.gz GPXGYHXVUIOMPD-CQSZACIVSA-N 1 2 317.433 2.313 50 0 DEAALO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000007390732 401739736 /nfs/dbraw/zinc/73/97/36/401739736.db2.gz GPXGYHXVUIOMPD-CQSZACIVSA-N 1 2 317.433 2.313 50 0 DEAALO Cc1[nH]c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2[nH+]1 ZINC000074973943 401745629 /nfs/dbraw/zinc/74/56/29/401745629.db2.gz IQTSOUMBUNWCHU-UHFFFAOYSA-N 1 2 323.352 2.459 50 0 DEAALO Cc1[nH]c2cc(CC(=O)NCc3ccc4c(c3)OCO4)ccc2[nH+]1 ZINC000074973943 401745633 /nfs/dbraw/zinc/74/56/33/401745633.db2.gz IQTSOUMBUNWCHU-UHFFFAOYSA-N 1 2 323.352 2.459 50 0 DEAALO C[N@@H+]1CCc2c3c(N)n[nH]c3nc(NCc3ccccc3)c2C1 ZINC000000055285 401687689 /nfs/dbraw/zinc/68/76/89/401687689.db2.gz QAMJZEHUFZWIEF-UHFFFAOYSA-N 1 2 308.389 2.140 50 0 DEAALO C[N@H+]1CCc2c3c(N)n[nH]c3nc(NCc3ccccc3)c2C1 ZINC000000055285 401687690 /nfs/dbraw/zinc/68/76/90/401687690.db2.gz QAMJZEHUFZWIEF-UHFFFAOYSA-N 1 2 308.389 2.140 50 0 DEAALO O=C1C[C@H]([NH+]2CCSCC2)C(=O)N1c1cccc(Cl)c1 ZINC000000077408 401687930 /nfs/dbraw/zinc/68/79/30/401687930.db2.gz HIJALBKNCANTCV-LBPRGKRZSA-N 1 2 310.806 2.021 50 0 DEAALO Cc1cnn(C[C@H]2CCCCN2C(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC000071865966 401689035 /nfs/dbraw/zinc/68/90/35/401689035.db2.gz VLNYIGLIRLRYNW-HUUCEWRRSA-N 1 2 301.394 2.030 50 0 DEAALO CCOc1nnc(C[N@@H+]2CCC[C@@H]2Cn2nc(C)cc2C)s1 ZINC000071876107 401690394 /nfs/dbraw/zinc/69/03/94/401690394.db2.gz AOVOJNDDXDIWFQ-CYBMUJFWSA-N 1 2 321.450 2.415 50 0 DEAALO CCOc1nnc(C[N@H+]2CCC[C@@H]2Cn2nc(C)cc2C)s1 ZINC000071876107 401690397 /nfs/dbraw/zinc/69/03/97/401690397.db2.gz AOVOJNDDXDIWFQ-CYBMUJFWSA-N 1 2 321.450 2.415 50 0 DEAALO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C)n1 ZINC000071876115 401690567 /nfs/dbraw/zinc/69/05/67/401690567.db2.gz JWWZIMJRBQFTFT-HNNXBMFYSA-N 1 2 314.437 2.170 50 0 DEAALO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)n2C)n1 ZINC000071876115 401690568 /nfs/dbraw/zinc/69/05/68/401690568.db2.gz JWWZIMJRBQFTFT-HNNXBMFYSA-N 1 2 314.437 2.170 50 0 DEAALO CO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000071896683 401693789 /nfs/dbraw/zinc/69/37/89/401693789.db2.gz JXTQMYWGGVFECP-NEPJUHHUSA-N 1 2 312.360 2.080 50 0 DEAALO CO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000071896683 401693791 /nfs/dbraw/zinc/69/37/91/401693791.db2.gz JXTQMYWGGVFECP-NEPJUHHUSA-N 1 2 312.360 2.080 50 0 DEAALO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCOc1ccccc1F ZINC000014014971 401805712 /nfs/dbraw/zinc/80/57/12/401805712.db2.gz QISGTCLKCWCJHK-MRXNPFEDSA-N 1 2 314.360 2.117 50 0 DEAALO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1F ZINC000014014971 401805713 /nfs/dbraw/zinc/80/57/13/401805713.db2.gz QISGTCLKCWCJHK-MRXNPFEDSA-N 1 2 314.360 2.117 50 0 DEAALO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000075130946 401750794 /nfs/dbraw/zinc/75/07/94/401750794.db2.gz ACTBGAUKFNBERA-ZDUSSCGKSA-N 1 2 324.388 2.194 50 0 DEAALO O=C(c1cn2ccsc2n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077299482 401809451 /nfs/dbraw/zinc/80/94/51/401809451.db2.gz UHVGTMQXEZWDHD-JTQLQIEISA-N 1 2 301.375 2.139 50 0 DEAALO CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000008980400 401758206 /nfs/dbraw/zinc/75/82/06/401758206.db2.gz SDHAUMFBTJHPMJ-HNNXBMFYSA-N 1 2 317.433 2.262 50 0 DEAALO CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000008980400 401758209 /nfs/dbraw/zinc/75/82/09/401758209.db2.gz SDHAUMFBTJHPMJ-HNNXBMFYSA-N 1 2 317.433 2.262 50 0 DEAALO COc1cc2nc(NCc3cc(C)on3)[nH+]c(N)c2cc1OC ZINC000075610196 401764469 /nfs/dbraw/zinc/76/44/69/401764469.db2.gz DRACALUAHDMVSB-UHFFFAOYSA-N 1 2 315.333 2.138 50 0 DEAALO CC(C)c1nc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cs1 ZINC000076053595 401779059 /nfs/dbraw/zinc/77/90/59/401779059.db2.gz DWADPDYSPMANTA-JSGCOSHPSA-N 1 2 323.462 2.059 50 0 DEAALO Cc1ccc2[nH+]c(CN3C(=O)NC4(CCCCC4)C3=O)cn2c1 ZINC000012547310 401788246 /nfs/dbraw/zinc/78/82/46/401788246.db2.gz ZDQRLUXOFDGSSX-UHFFFAOYSA-N 1 2 312.373 2.397 50 0 DEAALO Cn1ncc2c1ncnc2Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000012766884 401791750 /nfs/dbraw/zinc/79/17/50/401791750.db2.gz VHKFOUKFHZTCLT-UHFFFAOYSA-N 1 2 309.377 2.492 50 0 DEAALO CCN(Cc1ccc2c(c1)OCO2)c1[nH+]cnc2c1cnn2C ZINC000014333976 401811204 /nfs/dbraw/zinc/81/12/04/401811204.db2.gz DLHLKVZOMYFUMT-UHFFFAOYSA-N 1 2 311.345 2.119 50 0 DEAALO C[C@H](NC(=O)C[N@@H+]1CCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000025835943 401837354 /nfs/dbraw/zinc/83/73/54/401837354.db2.gz GQYINVFGCQWKOQ-GJZGRUSLSA-N 1 2 316.445 2.463 50 0 DEAALO C[C@H](NC(=O)C[N@H+]1CCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000025835943 401837356 /nfs/dbraw/zinc/83/73/56/401837356.db2.gz GQYINVFGCQWKOQ-GJZGRUSLSA-N 1 2 316.445 2.463 50 0 DEAALO Cn1ncc2c1nc[nH+]c2NCCCN1CCc2ccccc21 ZINC000026774814 401842085 /nfs/dbraw/zinc/84/20/85/401842085.db2.gz AVCPZOWYQVFODG-UHFFFAOYSA-N 1 2 308.389 2.228 50 0 DEAALO Cc1nc([C@H](C)NC(=O)NCCCCn2cc[nH+]c2)cs1 ZINC000078663498 401860755 /nfs/dbraw/zinc/86/07/55/401860755.db2.gz SMTKGGNPNHGCBL-NSHDSACASA-N 1 2 307.423 2.489 50 0 DEAALO CCCCc1noc([C@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)n1 ZINC000030287326 401862507 /nfs/dbraw/zinc/86/25/07/401862507.db2.gz KPBUEBYQRIOYAF-LBPRGKRZSA-N 1 2 320.437 2.464 50 0 DEAALO O=C(CSc1ccncc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077427346 401815410 /nfs/dbraw/zinc/81/54/10/401815410.db2.gz OHUKPXHGRXZKPJ-GFCCVEGCSA-N 1 2 302.403 2.303 50 0 DEAALO COc1cccc(N2CC[NH+]([C@H](C)c3nc(C)no3)CC2)c1 ZINC000040496450 401925999 /nfs/dbraw/zinc/92/59/99/401925999.db2.gz LLLCWWZYHQYZKN-GFCCVEGCSA-N 1 2 302.378 2.270 50 0 DEAALO CCCc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)[nH]n1 ZINC000032754696 401882725 /nfs/dbraw/zinc/88/27/25/401882725.db2.gz IKYLLOZYCWBKSQ-KRWDZBQOSA-N 1 2 312.417 2.491 50 0 DEAALO CCCc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)[nH]n1 ZINC000032754696 401882729 /nfs/dbraw/zinc/88/27/29/401882729.db2.gz IKYLLOZYCWBKSQ-KRWDZBQOSA-N 1 2 312.417 2.491 50 0 DEAALO CCCc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)n[nH]1 ZINC000032754696 401882730 /nfs/dbraw/zinc/88/27/30/401882730.db2.gz IKYLLOZYCWBKSQ-KRWDZBQOSA-N 1 2 312.417 2.491 50 0 DEAALO CCCc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)n[nH]1 ZINC000032754696 401882733 /nfs/dbraw/zinc/88/27/33/401882733.db2.gz IKYLLOZYCWBKSQ-KRWDZBQOSA-N 1 2 312.417 2.491 50 0 DEAALO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1SCCc2sccc21 ZINC000079994120 401885825 /nfs/dbraw/zinc/88/58/25/401885825.db2.gz TZCSKBMKPHTUNJ-ZDUSSCGKSA-N 1 2 307.444 2.471 50 0 DEAALO C[C@H](C(=O)NCC1CC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684658 401893181 /nfs/dbraw/zinc/89/31/81/401893181.db2.gz XDOXVGUSMXCKFB-CYBMUJFWSA-N 1 2 321.852 2.377 50 0 DEAALO CSc1ncccc1C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000036389950 401904831 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313.405 2.078 50 0 DEAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000017337000 182083815 /nfs/dbraw/zinc/08/38/15/182083815.db2.gz IRFILTDELJPANL-UHFFFAOYSA-N 1 2 322.368 2.336 50 0 DEAALO COC(=O)Cn1c2ccccc2n(Cc2ccc(C)cc2)c1=[NH2+] ZINC000019790698 182149317 /nfs/dbraw/zinc/14/93/17/182149317.db2.gz ISALIKHKGUXNTC-UHFFFAOYSA-N 1 2 309.369 2.452 50 0 DEAALO Cc1ccccc1NC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000020418815 182215992 /nfs/dbraw/zinc/21/59/92/182215992.db2.gz KDBZKIKCBRQTBS-UHFFFAOYSA-N 1 2 313.401 2.344 50 0 DEAALO O=C(CN1CC[NH+](Cc2ccc(F)cc2)CC1)NC1CCCC1 ZINC000020457829 182220024 /nfs/dbraw/zinc/22/00/24/182220024.db2.gz IIQWUTCDZPOBHS-UHFFFAOYSA-N 1 2 319.424 2.002 50 0 DEAALO CCc1noc(C)c1C(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000020913061 182253754 /nfs/dbraw/zinc/25/37/54/182253754.db2.gz OKGDKWXGOJDRLQ-ZDUSSCGKSA-N 1 2 302.378 2.294 50 0 DEAALO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccc3c(c2)OCO3)C1 ZINC000022113709 182309339 /nfs/dbraw/zinc/30/93/39/182309339.db2.gz 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O=C(Cn1c[nH+]c2cc3c(cc21)OCCO3)Nc1ccccc1 ZINC000064794773 184303519 /nfs/dbraw/zinc/30/35/19/184303519.db2.gz SILWXXMNDBSGSZ-UHFFFAOYSA-N 1 2 309.325 2.446 50 0 DEAALO Cc1cc(NCCSc2nc[nH]n2)nc(-c2cccnc2)[nH+]1 ZINC000065433418 184343974 /nfs/dbraw/zinc/34/39/74/184343974.db2.gz FHDZHABZMMNKQV-UHFFFAOYSA-N 1 2 313.390 2.169 50 0 DEAALO COc1ccc(Cl)cc1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000065487801 184353192 /nfs/dbraw/zinc/35/31/92/184353192.db2.gz SJOSVKCUKQOFKL-NSHDSACASA-N 1 2 305.765 2.290 50 0 DEAALO OCCn1ncc2c1nc[nH+]c2N1CC=C(c2ccccc2)CC1 ZINC000065496772 184354587 /nfs/dbraw/zinc/35/45/87/184354587.db2.gz CJAIYHDGHNJYKT-UHFFFAOYSA-N 1 2 321.384 2.112 50 0 DEAALO CC(=O)Nc1nc(C[NH+]2CCC(c3ccnn3C)CC2)cs1 ZINC000065542050 184363670 /nfs/dbraw/zinc/36/36/70/184363670.db2.gz JEODZAZXNSGCTQ-UHFFFAOYSA-N 1 2 319.434 2.215 50 0 DEAALO Cc1noc(C)c1CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000065608841 184372520 /nfs/dbraw/zinc/37/25/20/184372520.db2.gz CZCVJTWVUNXGJP-UHFFFAOYSA-N 1 2 312.373 2.449 50 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/nfs/dbraw/zinc/18/83/67/286188367.db2.gz SDMJNFGVRIBJNQ-UHFFFAOYSA-N 1 2 320.389 2.396 50 0 biogenic DEAALO COc1c2c(c(NC(=O)C(C)(C)C)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032124500 286188369 /nfs/dbraw/zinc/18/83/69/286188369.db2.gz SDMJNFGVRIBJNQ-UHFFFAOYSA-N 1 2 320.389 2.396 50 0 biogenic DEAALO COC[C@H]([NH2+]Cc1nc2c(ccc(C)c2C)[nH]1)c1ccnn1C ZINC000067756088 402172086 /nfs/dbraw/zinc/17/20/86/402172086.db2.gz XUZJWYDTWAYMSQ-AWEZNQCLSA-N 1 2 313.405 2.391 50 0 DEAALO O=C(Nc1c[nH+]c2n1CCCC2)c1cccc(-c2nc[nH]n2)c1 ZINC000067785461 402172626 /nfs/dbraw/zinc/17/26/26/402172626.db2.gz CBXAPPMQPYGRAQ-UHFFFAOYSA-N 1 2 308.345 2.257 50 0 DEAALO Cc1ccc([C@@H]2C[C@@H]2C(=O)NCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000069322090 402218307 /nfs/dbraw/zinc/21/83/07/402218307.db2.gz LSBQQYJQLUHXIX-OSRDXIQISA-N 1 2 322.474 2.385 50 0 DEAALO Cc1ccc([C@@H]2C[C@@H]2C(=O)NCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000069322090 402218309 /nfs/dbraw/zinc/21/83/09/402218309.db2.gz LSBQQYJQLUHXIX-OSRDXIQISA-N 1 2 322.474 2.385 50 0 DEAALO Cc1noc([C@H](C)N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000069414684 402222010 /nfs/dbraw/zinc/22/20/10/402222010.db2.gz IRNDHBLICYDPOM-LBPRGKRZSA-N 1 2 304.369 2.396 50 0 DEAALO Cc1ncc2c(n1)C[N@H+]([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000069452190 402224396 /nfs/dbraw/zinc/22/43/96/402224396.db2.gz KLSHGSHWHYQZJG-GOSISDBHSA-N 1 2 322.412 2.163 50 0 DEAALO Cc1ncc2c(n1)C[N@@H+]([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000069452190 402224399 /nfs/dbraw/zinc/22/43/99/402224399.db2.gz KLSHGSHWHYQZJG-GOSISDBHSA-N 1 2 322.412 2.163 50 0 DEAALO Cc1ccc(CCC(=O)N(C)CC[NH+]2CCOCC2)c(C)c1 ZINC000069485477 402225918 /nfs/dbraw/zinc/22/59/18/402225918.db2.gz FDIBDPNRTASRHS-UHFFFAOYSA-N 1 2 304.434 2.027 50 0 DEAALO Cc1cnn(CC2CC2)c1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000069538944 402230555 /nfs/dbraw/zinc/23/05/55/402230555.db2.gz WGBZXFBNGAFFIL-UHFFFAOYSA-N 1 2 322.372 2.435 50 0 DEAALO CCc1noc(CCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000069654767 402237270 /nfs/dbraw/zinc/23/72/70/402237270.db2.gz SEVCJSNKASVYFG-ZDUSSCGKSA-N 1 2 317.393 2.015 50 0 DEAALO Cc1cccn2cc(CC(=O)N3CCC[C@H]3Cn3cccn3)[nH+]c12 ZINC000069777202 402243810 /nfs/dbraw/zinc/24/38/10/402243810.db2.gz JOSDPZVBKDEXKV-INIZCTEOSA-N 1 2 323.400 2.073 50 0 DEAALO C[C@@H](CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000108962582 402265476 /nfs/dbraw/zinc/26/54/76/402265476.db2.gz WYWRSQFEKYSKCP-CAOSSQGBSA-N 1 2 304.434 2.404 50 0 DEAALO C[C@@H](CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000108962582 402265478 /nfs/dbraw/zinc/26/54/78/402265478.db2.gz WYWRSQFEKYSKCP-CAOSSQGBSA-N 1 2 304.434 2.404 50 0 DEAALO CC(C)(C)n1nnnc1[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000071405244 402273482 /nfs/dbraw/zinc/27/34/82/402273482.db2.gz GBABCNMDEPUMFE-CQSZACIVSA-N 1 2 300.410 2.398 50 0 DEAALO CC(C)c1noc(C[N@H+](C)C[C@H]2COc3ccccc3O2)n1 ZINC000071794655 402278256 /nfs/dbraw/zinc/27/82/56/402278256.db2.gz CUAHUHQIIWSKDS-LBPRGKRZSA-N 1 2 303.362 2.465 50 0 DEAALO CC(C)c1noc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)n1 ZINC000071794655 402278257 /nfs/dbraw/zinc/27/82/57/402278257.db2.gz CUAHUHQIIWSKDS-LBPRGKRZSA-N 1 2 303.362 2.465 50 0 DEAALO CCSc1ccc(C(=O)NCCNc2cccc[nH+]2)cn1 ZINC000071794529 402278408 /nfs/dbraw/zinc/27/84/08/402278408.db2.gz WRNRHWSMKAEMHC-UHFFFAOYSA-N 1 2 302.403 2.431 50 0 DEAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccnc3)no2)cn1 ZINC000071799291 402278885 /nfs/dbraw/zinc/27/88/85/402278885.db2.gz SAKOZRFOYWORCV-AWEZNQCLSA-N 1 2 310.361 2.202 50 0 DEAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccnc3)no2)cn1 ZINC000071799291 402278886 /nfs/dbraw/zinc/27/88/86/402278886.db2.gz SAKOZRFOYWORCV-AWEZNQCLSA-N 1 2 310.361 2.202 50 0 DEAALO C[C@@H](c1ccon1)[N@H+](C)Cc1cc(Cl)ccc1OCC(N)=O ZINC000215401050 402283039 /nfs/dbraw/zinc/28/30/39/402283039.db2.gz HRWQPYCUFNZXLX-JTQLQIEISA-N 1 2 323.780 2.385 50 0 DEAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1cc(Cl)ccc1OCC(N)=O ZINC000215401050 402283041 /nfs/dbraw/zinc/28/30/41/402283041.db2.gz HRWQPYCUFNZXLX-JTQLQIEISA-N 1 2 323.780 2.385 50 0 DEAALO CC(=O)N[C@@H]1CCC[N@@H+](Cc2nn(C)c3cccc(Cl)c23)C1 ZINC000215531235 402284095 /nfs/dbraw/zinc/28/40/95/402284095.db2.gz GVSLUDMZTRBGJH-GFCCVEGCSA-N 1 2 320.824 2.327 50 0 DEAALO CC(=O)N[C@@H]1CCC[N@H+](Cc2nn(C)c3cccc(Cl)c23)C1 ZINC000215531235 402284098 /nfs/dbraw/zinc/28/40/98/402284098.db2.gz GVSLUDMZTRBGJH-GFCCVEGCSA-N 1 2 320.824 2.327 50 0 DEAALO CSc1ncccc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000222631572 402307847 /nfs/dbraw/zinc/30/78/47/402307847.db2.gz QBZDHTBKGABBIQ-GFCCVEGCSA-N 1 2 302.403 2.418 50 0 DEAALO CC[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1c(C)noc1C ZINC000225483290 402319276 /nfs/dbraw/zinc/31/92/76/402319276.db2.gz HZRSHHPWAOBJCX-CYBMUJFWSA-N 1 2 317.393 2.481 50 0 DEAALO CC[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1c(C)noc1C ZINC000225483290 402319278 /nfs/dbraw/zinc/31/92/78/402319278.db2.gz HZRSHHPWAOBJCX-CYBMUJFWSA-N 1 2 317.393 2.481 50 0 DEAALO COc1ccc(-c2noc(CCc3c[nH]c[nH+]3)n2)c(OC)c1 ZINC000225507073 402319376 /nfs/dbraw/zinc/31/93/76/402319376.db2.gz ZMEARRMOLUFDKA-UHFFFAOYSA-N 1 2 300.318 2.262 50 0 DEAALO COc1ccc(-c2noc(CCc3c[nH+]c[nH]3)n2)c(OC)c1 ZINC000225507073 402319380 /nfs/dbraw/zinc/31/93/80/402319380.db2.gz ZMEARRMOLUFDKA-UHFFFAOYSA-N 1 2 300.318 2.262 50 0 DEAALO COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000225507948 402319519 /nfs/dbraw/zinc/31/95/19/402319519.db2.gz MMCYXKRACJXIBT-CYBMUJFWSA-N 1 2 311.385 2.108 50 0 DEAALO COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000225507948 402319522 /nfs/dbraw/zinc/31/95/22/402319522.db2.gz MMCYXKRACJXIBT-CYBMUJFWSA-N 1 2 311.385 2.108 50 0 DEAALO O=C(CSc1ccncc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000244970190 402451539 /nfs/dbraw/zinc/45/15/39/402451539.db2.gz HNOVIYMOUYGWPC-AWEZNQCLSA-N 1 2 315.398 2.249 50 0 DEAALO CC(C)COc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1Cl ZINC000178394624 402493429 /nfs/dbraw/zinc/49/34/29/402493429.db2.gz AWHNRISXBWWMTB-CYBMUJFWSA-N 1 2 312.797 2.302 50 0 DEAALO O=C(NCCn1cc[nH+]c1)N1CCc2cc(Cl)ccc2C1 ZINC000190492462 402605828 /nfs/dbraw/zinc/60/58/28/402605828.db2.gz ZURQFQUSUHXARN-UHFFFAOYSA-N 1 2 304.781 2.304 50 0 DEAALO Cc1ncc(C[NH+]2CCN(C(=O)NCc3ccoc3)CC2)s1 ZINC000171904593 402632636 /nfs/dbraw/zinc/63/26/36/402632636.db2.gz FBSIHKOJYFIOBA-UHFFFAOYSA-N 1 2 320.418 2.072 50 0 DEAALO CCc1cc(O)ccc1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000191083852 402640610 /nfs/dbraw/zinc/64/06/10/402640610.db2.gz VPZKPLPSWPUCSQ-QGZVFWFLSA-N 1 2 318.417 2.394 50 0 DEAALO CCc1cc(O)ccc1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000191083852 402640612 /nfs/dbraw/zinc/64/06/12/402640612.db2.gz VPZKPLPSWPUCSQ-QGZVFWFLSA-N 1 2 318.417 2.394 50 0 DEAALO CCn1cc([C@@H]2C[N@H+](Cc3cnn(C(C)C)c3)CCO2)cn1 ZINC000191700565 402687350 /nfs/dbraw/zinc/68/73/50/402687350.db2.gz LUGSQKGWHHDMJS-INIZCTEOSA-N 1 2 303.410 2.254 50 0 DEAALO CCn1cc([C@@H]2C[N@@H+](Cc3cnn(C(C)C)c3)CCO2)cn1 ZINC000191700565 402687353 /nfs/dbraw/zinc/68/73/53/402687353.db2.gz LUGSQKGWHHDMJS-INIZCTEOSA-N 1 2 303.410 2.254 50 0 DEAALO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(N(C)C)no2)o1 ZINC000192804711 402750870 /nfs/dbraw/zinc/75/08/70/402750870.db2.gz NJZWTAAZQYBSDN-LBPRGKRZSA-N 1 2 306.366 2.212 50 0 DEAALO COCc1ccc([C@@H]2CCC[N@H+]2Cc2nc(N(C)C)no2)o1 ZINC000192804711 402750872 /nfs/dbraw/zinc/75/08/72/402750872.db2.gz NJZWTAAZQYBSDN-LBPRGKRZSA-N 1 2 306.366 2.212 50 0 DEAALO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC000330644046 403296382 /nfs/dbraw/zinc/29/63/82/403296382.db2.gz FZFVWJSWYZWVOY-AAEUAGOBSA-N 1 2 310.467 2.363 50 0 DEAALO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC000330644046 403296387 /nfs/dbraw/zinc/29/63/87/403296387.db2.gz FZFVWJSWYZWVOY-AAEUAGOBSA-N 1 2 310.467 2.363 50 0 DEAALO Cc1cc(NC(=O)N2CCN(c3ncccc3F)CC2)cc[nH+]1 ZINC000271080341 403261672 /nfs/dbraw/zinc/26/16/72/403261672.db2.gz QQHJSYNNQHFGSU-UHFFFAOYSA-N 1 2 315.352 2.278 50 0 DEAALO CN(Cc1cc(C2CC2)on1)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000299759953 403566946 /nfs/dbraw/zinc/56/69/46/403566946.db2.gz QZQSPFYQZHWZRG-UHFFFAOYSA-N 1 2 314.389 2.037 50 0 DEAALO CN(Cc1cc(C2CC2)on1)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000299759953 403566948 /nfs/dbraw/zinc/56/69/48/403566948.db2.gz QZQSPFYQZHWZRG-UHFFFAOYSA-N 1 2 314.389 2.037 50 0 DEAALO CCCN(Cc1[nH+]ccn1C)C(=O)[C@H](C)n1cc(Cl)cn1 ZINC000299766541 403569010 /nfs/dbraw/zinc/56/90/10/403569010.db2.gz JMTHVMGUDGLLEQ-NSHDSACASA-N 1 2 309.801 2.270 50 0 DEAALO O=C(NCCc1c[nH+]c[nH]1)Nc1ccnn1C[C@H]1CC=CCC1 ZINC000299795802 403577339 /nfs/dbraw/zinc/57/73/39/403577339.db2.gz LEQZXUBGUCKXAG-ZDUSSCGKSA-N 1 2 314.393 2.327 50 0 DEAALO O=C(NCCc1c[nH]c[nH+]1)Nc1ccnn1C[C@H]1CC=CCC1 ZINC000299795802 403577343 /nfs/dbraw/zinc/57/73/43/403577343.db2.gz LEQZXUBGUCKXAG-ZDUSSCGKSA-N 1 2 314.393 2.327 50 0 DEAALO Cc1nnc(CN2CC[NH+](Cc3ccc(Cl)s3)CC2)[nH]1 ZINC000337712594 404197994 /nfs/dbraw/zinc/19/79/94/404197994.db2.gz OODQLSCFUUWVOB-UHFFFAOYSA-N 1 2 311.842 2.146 50 0 DEAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C1Cc2ccccc2C1 ZINC000426427877 405359561 /nfs/dbraw/zinc/35/95/61/405359561.db2.gz CMXNHSGKLQSCTQ-MRXNPFEDSA-N 1 2 312.417 2.471 50 0 DEAALO CC[C@@H](NC(=O)c1cc2ccccc2n(C)c1=O)c1[nH]c(C)c[nH+]1 ZINC000426389508 405356821 /nfs/dbraw/zinc/35/68/21/405356821.db2.gz UJTZHHJVDZVKFI-CQSZACIVSA-N 1 2 324.384 2.451 50 0 DEAALO CCC1(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000585115549 405870508 /nfs/dbraw/zinc/87/05/08/405870508.db2.gz GFWKGQDSRZEDAB-UHFFFAOYSA-N 1 2 308.447 2.143 50 0 DEAALO CCC1(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000585115549 405870515 /nfs/dbraw/zinc/87/05/15/405870515.db2.gz GFWKGQDSRZEDAB-UHFFFAOYSA-N 1 2 308.447 2.143 50 0 DEAALO Cc1c[nH+]c(-c2cccnc2)n1CCNC(=O)c1cccn1C ZINC000575553736 406811931 /nfs/dbraw/zinc/81/19/31/406811931.db2.gz GNBLADDILXFMMY-UHFFFAOYSA-N 1 2 309.373 2.022 50 0 DEAALO CCc1noc([C@@H](C)[NH+]2CCC(c3nnc4n3CCC4)CC2)n1 ZINC000047258598 424824000 /nfs/dbraw/zinc/82/40/00/424824000.db2.gz JGFMBWCFYQTNJK-LLVKDONJSA-N 1 2 316.409 2.110 50 0 DEAALO Cc1noc([C@H](C)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000047540731 424826428 /nfs/dbraw/zinc/82/64/28/424826428.db2.gz QTBVVJINTCGRRS-JTQLQIEISA-N 1 2 310.398 2.428 50 0 DEAALO CCN(CC)c1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cn1 ZINC000048172988 424830179 /nfs/dbraw/zinc/83/01/79/424830179.db2.gz VFTPMZNXWVMNRJ-ZDUSSCGKSA-N 1 2 316.409 2.335 50 0 DEAALO C(OC1CCCC1)C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000044975509 424815478 /nfs/dbraw/zinc/81/54/78/424815478.db2.gz HWJMPGPHRXALRG-UHFFFAOYSA-N 1 2 305.426 2.179 50 0 DEAALO CC[N@@H+](Cc1nncn1C(C)C)C[C@H](O)c1cccc(O)c1 ZINC000244646990 424886281 /nfs/dbraw/zinc/88/62/81/424886281.db2.gz GTBZREMHZRDONI-HNNXBMFYSA-N 1 2 304.394 2.120 50 0 DEAALO CC[N@H+](Cc1nncn1C(C)C)C[C@H](O)c1cccc(O)c1 ZINC000244646990 424886284 /nfs/dbraw/zinc/88/62/84/424886284.db2.gz GTBZREMHZRDONI-HNNXBMFYSA-N 1 2 304.394 2.120 50 0 DEAALO c1cncc(-c2nnc(Nc3ccc[nH+]c3N3CCCC3)o2)c1 ZINC000585134418 424993302 /nfs/dbraw/zinc/99/33/02/424993302.db2.gz RQCXOISKZFHDJI-UHFFFAOYSA-N 1 2 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OC[C@@H]1CCC2(CCOCC2)C[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625761960 365892709 /nfs/dbraw/zinc/89/27/09/365892709.db2.gz OPZONECIRBOUII-AWEZNQCLSA-N 1 2 321.421 2.091 50 0 DEAALO NC(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000071760884 191025836 /nfs/dbraw/zinc/02/58/36/191025836.db2.gz OAOYPFVXBNYDAT-NSHDSACASA-N 1 2 314.307 2.085 50 0 DEAALO NC(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000071760884 191025838 /nfs/dbraw/zinc/02/58/38/191025838.db2.gz OAOYPFVXBNYDAT-NSHDSACASA-N 1 2 314.307 2.085 50 0 DEAALO Cc1cn(CCNc2nccc(-c3ccc(C)[nH+]c3C)n2)nn1 ZINC000071765585 191029288 /nfs/dbraw/zinc/02/92/88/191029288.db2.gz HEDFQWPANGMPFG-UHFFFAOYSA-N 1 2 309.377 2.167 50 0 DEAALO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000072157065 191061550 /nfs/dbraw/zinc/06/15/50/191061550.db2.gz CNWUGMOBSQARBG-QGZVFWFLSA-N 1 2 316.445 2.287 50 0 DEAALO O=C(NCCc1ccccc1F)N1CCCn2c[nH+]cc2C1 ZINC000072162857 191063553 /nfs/dbraw/zinc/06/35/53/191063553.db2.gz 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in-vitro DEAALO Cc1noc(C)c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024749238 182390233 /nfs/dbraw/zinc/39/02/33/182390233.db2.gz ZBCUCSBHWPUDCC-UHFFFAOYSA-N 1 2 310.357 2.466 50 0 DEAALO CC(C)N(C)C(=O)C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000040520474 183089802 /nfs/dbraw/zinc/08/98/02/183089802.db2.gz DZXXZXRFJLUMOR-UHFFFAOYSA-N 1 2 306.410 2.026 50 0 DEAALO Cc1ccc2cnn(CCC(=O)NCCCn3cc[nH+]c3)c2c1 ZINC000040769087 183131218 /nfs/dbraw/zinc/13/12/18/183131218.db2.gz WAFHLDKHQYWLPV-UHFFFAOYSA-N 1 2 311.389 2.138 50 0 DEAALO c1nn(-c2ccccn2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000041529180 183198054 /nfs/dbraw/zinc/19/80/54/183198054.db2.gz PJUUHYDQFOJTFP-UHFFFAOYSA-N 1 2 303.329 2.218 50 0 DEAALO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cn1 ZINC000057754877 184051135 /nfs/dbraw/zinc/05/11/35/184051135.db2.gz KBWCHQQNVZPEHS-UHFFFAOYSA-N 1 2 312.295 2.421 50 0 DEAALO C[C@H](c1cccnc1)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058356711 184108463 /nfs/dbraw/zinc/10/84/63/184108463.db2.gz 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Cc1ncsc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000225601337 186282433 /nfs/dbraw/zinc/28/24/33/186282433.db2.gz MRBPSUXRVGOFTH-MNOVXSKESA-N 1 2 306.391 2.427 50 0 DEAALO Cc1n[nH]c(C)c1CCCN(C)c1[nH+]cnc2c1c(C)nn2C ZINC000072476576 191178304 /nfs/dbraw/zinc/17/83/04/191178304.db2.gz WRASYULEIWCYBH-UHFFFAOYSA-N 1 2 313.409 2.081 50 0 DEAALO Cn1ncc2c1nc(NCCC1=CCCCC1)[nH+]c2NCCO ZINC000004374994 181104239 /nfs/dbraw/zinc/10/42/39/181104239.db2.gz HECSROMNOAYYQA-UHFFFAOYSA-N 1 2 316.409 2.070 50 0 DEAALO CC1(C)[C@@]2(C(=O)NCCCn3cc[nH+]c3)CC[C@]1(C)C(=O)C2 ZINC000004756198 181149132 /nfs/dbraw/zinc/14/91/32/181149132.db2.gz DNWSFCQBRNYSHF-SJORKVTESA-N 1 2 303.406 2.175 50 0 DEAALO Cn1c2ccccc2c2c1SC[C@@H](C[NH+]1CCOCC1)C2=O ZINC000096028005 355698187 /nfs/dbraw/zinc/69/81/87/355698187.db2.gz DRYPABWEXJQVIG-GFCCVEGCSA-N 1 2 316.426 2.415 50 0 DEAALO C[S@](=O)c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000097095449 355700874 /nfs/dbraw/zinc/70/08/74/355700874.db2.gz YWDLEMGKSPYOGP-OAQYLSRUSA-N 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/nfs/dbraw/zinc/13/46/32/200134632.db2.gz OEBVJRYGDBXLNY-HNNXBMFYSA-N 1 2 322.380 2.274 50 0 DEAALO COc1cc(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)ccc1F ZINC000187616665 200134634 /nfs/dbraw/zinc/13/46/34/200134634.db2.gz OEBVJRYGDBXLNY-HNNXBMFYSA-N 1 2 322.380 2.274 50 0 DEAALO COc1cc[nH+]c(CN2CCOc3ccccc3C2)c1OC ZINC000670437428 540933111 /nfs/dbraw/zinc/93/31/11/540933111.db2.gz HMQOQBGTSRCFFF-UHFFFAOYSA-N 1 2 300.358 2.493 50 0 DEAALO CCc1noc(C[N@H+](C)[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000670436158 540933172 /nfs/dbraw/zinc/93/31/72/540933172.db2.gz IAAPTAAPVQQPCJ-AWEZNQCLSA-N 1 2 304.369 2.482 50 0 DEAALO CCc1noc(C[N@@H+](C)[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000670436158 540933173 /nfs/dbraw/zinc/93/31/73/540933173.db2.gz IAAPTAAPVQQPCJ-AWEZNQCLSA-N 1 2 304.369 2.482 50 0 DEAALO CCOCC[NH+]1CC(OC(=O)/C(C)=C\c2ccc(F)cc2)C1 ZINC000606442923 361008290 /nfs/dbraw/zinc/00/82/90/361008290.db2.gz WSNQIEVZGKBJTA-RAXLEYEMSA-N 1 2 307.365 2.493 50 0 DEAALO CN(CCCc1[nH+]ccn1C)C(=O)[C@@H]1COc2ccccc2C1 ZINC000091846105 193116766 /nfs/dbraw/zinc/11/67/66/193116766.db2.gz WQUBNBYRLABIDB-HNNXBMFYSA-N 1 2 313.401 2.062 50 0 DEAALO CC(C)c1nn(C)cc1C[N@H+](C)Cc1cc(C(N)=O)cs1 ZINC000093867347 193320761 /nfs/dbraw/zinc/32/07/61/193320761.db2.gz BCYNCVWHOOBVDT-UHFFFAOYSA-N 1 2 306.435 2.336 50 0 DEAALO CC(C)c1nn(C)cc1C[N@@H+](C)Cc1cc(C(N)=O)cs1 ZINC000093867347 193320763 /nfs/dbraw/zinc/32/07/63/193320763.db2.gz BCYNCVWHOOBVDT-UHFFFAOYSA-N 1 2 306.435 2.336 50 0 DEAALO C[NH+](C)c1ccc(N[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000017877537 182086698 /nfs/dbraw/zinc/08/66/98/182086698.db2.gz RTRLRNFOBMVWIP-QGZVFWFLSA-N 1 2 323.396 2.492 50 0 DEAALO Cc1ccc(C(=O)CSC(=S)N2CC[NH+](C)CC2)cc1 ZINC000019943660 182168708 /nfs/dbraw/zinc/16/87/08/182168708.db2.gz GDIMNHPSVWSEEP-UHFFFAOYSA-N 1 2 308.472 2.443 50 0 DEAALO Cc1ccccc1OC[C@H](O)Cn1c2ccccc2n(C)c1=[NH2+] ZINC000020266882 182202120 /nfs/dbraw/zinc/20/21/20/182202120.db2.gz QZJJGZASGDFBKL-CQSZACIVSA-N 1 2 311.385 2.208 50 0 DEAALO CSc1nc2sc3c(c2c(NC[C@H](C)O)n1)CC[N@H+](C)C3 ZINC000020358160 182211095 /nfs/dbraw/zinc/21/10/95/182211095.db2.gz KOZJCYCTYURWJP-QMMMGPOBSA-N 1 2 324.475 2.194 50 0 DEAALO CSc1nc2sc3c(c2c(NC[C@H](C)O)n1)CC[N@@H+](C)C3 ZINC000020358160 182211096 /nfs/dbraw/zinc/21/10/96/182211096.db2.gz KOZJCYCTYURWJP-QMMMGPOBSA-N 1 2 324.475 2.194 50 0 DEAALO CC(C)(C)c1ccc(OCC(=O)OCC[NH+]2CCOCC2)cc1 ZINC000022358534 182319538 /nfs/dbraw/zinc/31/95/38/182319538.db2.gz MLIZMNPKRNMEKP-UHFFFAOYSA-N 1 2 321.417 2.238 50 0 DEAALO Cc1[nH+]c2ccccc2n1Cc1nc2ccccc2n1CC(N)=O ZINC000023528964 182363204 /nfs/dbraw/zinc/36/32/04/182363204.db2.gz YSKZLFZLMZKPRW-UHFFFAOYSA-N 1 2 319.368 2.228 50 0 DEAALO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)c1ccc[nH]1 ZINC000040479625 183076983 /nfs/dbraw/zinc/07/69/83/183076983.db2.gz BLMPHVIZQGHSMY-UHFFFAOYSA-N 1 2 311.385 2.092 50 0 DEAALO CC(C)c1noc(C[NH+](C[C@H]2CCCO2)C[C@H]2CCCO2)n1 ZINC000040540242 183097323 /nfs/dbraw/zinc/09/73/23/183097323.db2.gz VTHZPFVDZFCMEE-ZIAGYGMSSA-N 1 2 309.410 2.353 50 0 DEAALO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCSc2ccccc21 ZINC000043166807 183343043 /nfs/dbraw/zinc/34/30/43/183343043.db2.gz RFMLSNOQKXZWNU-CYBMUJFWSA-N 1 2 302.403 2.419 50 0 DEAALO Cc1occc1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000056513127 184014003 /nfs/dbraw/zinc/01/40/03/184014003.db2.gz KMVUQMVZFIGWGE-KRWDZBQOSA-N 1 2 314.385 2.079 50 0 DEAALO Cc1ccn2cc(CNC(=O)c3ccc4c(c3)OCO4)[nH+]c2c1 ZINC000058364667 184109580 /nfs/dbraw/zinc/10/95/80/184109580.db2.gz VTKOFEYVTZQAOI-UHFFFAOYSA-N 1 2 309.325 2.301 50 0 DEAALO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)NCCc1cccs1 ZINC000058251526 184095593 /nfs/dbraw/zinc/09/55/93/184095593.db2.gz FSTSXTYYUHMAIO-UHFFFAOYSA-N 1 2 318.446 2.010 50 0 DEAALO O=C(NC[C@@H]1Cc2ccccc2O1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058327868 184105891 /nfs/dbraw/zinc/10/58/91/184105891.db2.gz OHDKEIMBJAPVQR-HNNXBMFYSA-N 1 2 320.352 2.001 50 0 DEAALO CC[C@@H](C(N)=O)[N@H+](C)Cc1cc(Br)ccc1F ZINC000058420487 184115930 /nfs/dbraw/zinc/11/59/30/184115930.db2.gz ANNODAMDECGHPZ-NSHDSACASA-N 1 2 303.175 2.284 50 0 DEAALO CC[C@@H](C(N)=O)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000058420487 184115932 /nfs/dbraw/zinc/11/59/32/184115932.db2.gz ANNODAMDECGHPZ-NSHDSACASA-N 1 2 303.175 2.284 50 0 DEAALO c1nn(-c2ccccc2)cc1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000061555852 184174687 /nfs/dbraw/zinc/17/46/87/184174687.db2.gz YCBWUMOOTJYRJK-UHFFFAOYSA-N 1 2 322.416 2.480 50 0 DEAALO CCCn1ncc(C(=O)NCc2c[nH+]c3c(C)cccn23)c1C ZINC000065435786 184344617 /nfs/dbraw/zinc/34/46/17/184344617.db2.gz WORILNJRNAOYNO-UHFFFAOYSA-N 1 2 311.389 2.488 50 0 DEAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1(c3ccc(F)cc3)CC1)C2 ZINC000065478969 184352738 /nfs/dbraw/zinc/35/27/38/184352738.db2.gz ZEDLTJSDYNYVRP-OAHLLOKOSA-N 1 2 313.376 2.493 50 0 DEAALO Cc1[nH+]c2n(c1C)CCN([C@H](C)c1nc3ccccc3c(=O)[nH]1)C2 ZINC000065478938 184352761 /nfs/dbraw/zinc/35/27/61/184352761.db2.gz WHJJZLHZANZXOS-CYBMUJFWSA-N 1 2 323.400 2.313 50 0 DEAALO CCCN(Cc1[nH+]ccn1C)[C@@H](C)C(=O)Nc1nccs1 ZINC000065526216 184359618 /nfs/dbraw/zinc/35/96/18/184359618.db2.gz MAYWWEJVCMTTAU-NSHDSACASA-N 1 2 307.423 2.116 50 0 DEAALO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2c1CCCC2 ZINC000065537947 184363073 /nfs/dbraw/zinc/36/30/73/184363073.db2.gz FGDUWRXOTHIHAY-UHFFFAOYSA-N 1 2 317.433 2.361 50 0 DEAALO CCC1(CC)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](C)[C@H]1OC ZINC000252485832 257258375 /nfs/dbraw/zinc/25/83/75/257258375.db2.gz AXJHEHQFWOUGGA-RRCSTGOVSA-N 1 2 319.449 2.401 50 0 DEAALO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1coc2ccccc12 ZINC000127631645 401743448 /nfs/dbraw/zinc/74/34/48/401743448.db2.gz KAEAGPKWBHSQEE-CYBMUJFWSA-N 1 2 300.358 2.026 50 0 DEAALO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1coc2ccccc12 ZINC000127631645 401743452 /nfs/dbraw/zinc/74/34/52/401743452.db2.gz KAEAGPKWBHSQEE-CYBMUJFWSA-N 1 2 300.358 2.026 50 0 DEAALO CC(C)c1nc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)no1 ZINC000071859760 401688581 /nfs/dbraw/zinc/68/85/81/401688581.db2.gz CUXKIUWWTVPPKD-CYBMUJFWSA-N 1 2 316.409 2.084 50 0 DEAALO CC(C)c1nc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)no1 ZINC000071859760 401688582 /nfs/dbraw/zinc/68/85/82/401688582.db2.gz CUXKIUWWTVPPKD-CYBMUJFWSA-N 1 2 316.409 2.084 50 0 DEAALO Cc1cccc2[nH+]c(CNC(=O)c3ccc4[nH]cnc4c3)cn21 ZINC000071890886 401692843 /nfs/dbraw/zinc/69/28/43/401692843.db2.gz OTRCXNKDMNFNDC-UHFFFAOYSA-N 1 2 305.341 2.449 50 0 DEAALO Cc1ccn2cc(CSC(=S)N3CCOCC3)[nH+]c2c1 ZINC000000564738 401701247 /nfs/dbraw/zinc/70/12/47/401701247.db2.gz IRBZKURIQGHQEC-UHFFFAOYSA-N 1 2 307.444 2.493 50 0 DEAALO O=C(NC1CCCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000013324865 401798645 /nfs/dbraw/zinc/79/86/45/401798645.db2.gz WPNRLPWBGTXQBF-UHFFFAOYSA-N 1 2 302.422 2.242 50 0 DEAALO O=C(CCn1ccc2ccc(F)cc21)NCCc1c[nH+]c[nH]1 ZINC000013719306 401803612 /nfs/dbraw/zinc/80/36/12/401803612.db2.gz RQHJBFDABWBVKU-UHFFFAOYSA-N 1 2 300.337 2.253 50 0 DEAALO O=C(CCn1ccc2ccc(F)cc21)NCCc1c[nH]c[nH+]1 ZINC000013719306 401803615 /nfs/dbraw/zinc/80/36/15/401803615.db2.gz RQHJBFDABWBVKU-UHFFFAOYSA-N 1 2 300.337 2.253 50 0 DEAALO O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553001 401762548 /nfs/dbraw/zinc/76/25/48/401762548.db2.gz GMGAFEOGHGLLSU-ZDUSSCGKSA-N 1 2 313.357 2.201 50 0 DEAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ncoc1C1CC1 ZINC000011819204 401776776 /nfs/dbraw/zinc/77/67/76/401776776.db2.gz BUDNPJASCOIXCO-UHFFFAOYSA-N 1 2 309.329 2.063 50 0 DEAALO CCc1sc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1C ZINC000076053660 401779187 /nfs/dbraw/zinc/77/91/87/401779187.db2.gz KQMYRVGAFVGPFL-KGLIPLIRSA-N 1 2 322.474 2.412 50 0 DEAALO CC(C)[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CCS1 ZINC000076085361 401781810 /nfs/dbraw/zinc/78/18/10/401781810.db2.gz MTYMYUCXJNDQJF-AWEZNQCLSA-N 1 2 322.478 2.431 50 0 DEAALO COc1c2c(cc3c1[C@@H](n1nc(C)cc1C)[N@H+](C)CC3)OCO2 ZINC000020758059 401825258 /nfs/dbraw/zinc/82/52/58/401825258.db2.gz JQQASTAMFOAACM-QGZVFWFLSA-N 1 2 315.373 2.272 50 0 biogenic DEAALO COc1c2c(cc3c1[C@@H](n1nc(C)cc1C)[N@@H+](C)CC3)OCO2 ZINC000020758059 401825259 /nfs/dbraw/zinc/82/52/59/401825259.db2.gz JQQASTAMFOAACM-QGZVFWFLSA-N 1 2 315.373 2.272 50 0 biogenic DEAALO O[C@H](COCc1ccco1)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000025256313 401832102 /nfs/dbraw/zinc/83/21/02/401832102.db2.gz DBVZROMWXXAORV-JTQLQIEISA-N 1 2 308.284 2.485 50 0 DEAALO COc1ccc(CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000025226414 401832108 /nfs/dbraw/zinc/83/21/08/401832108.db2.gz GMPXPTGJCCJNJB-UHFFFAOYSA-N 1 2 324.384 2.385 50 0 DEAALO c1ccc2oc(NC[C@@]3([NH+]4CCOCC4)CCSC3)nc2c1 ZINC000029626092 401857658 /nfs/dbraw/zinc/85/76/58/401857658.db2.gz JIOZYUKLUIWPHN-INIZCTEOSA-N 1 2 319.430 2.448 50 0 DEAALO CN(C)c1cc(CNC(=O)[C@]2(C)CC2(Cl)Cl)cc[nH+]1 ZINC000032830750 401884341 /nfs/dbraw/zinc/88/43/41/401884341.db2.gz RKWXBMUUXKIIFJ-LBPRGKRZSA-N 1 2 302.205 2.348 50 0 DEAALO CSc1ncccc1C(=O)NC[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000032828463 401884410 /nfs/dbraw/zinc/88/44/10/401884410.db2.gz HHSZFNXQTSNYDG-AVGNSLFASA-N 1 2 323.462 2.031 50 0 DEAALO O=S(=O)(c1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000035800899 401900933 /nfs/dbraw/zinc/90/09/33/401900933.db2.gz XPXCHEYBBHQVBW-UHFFFAOYSA-N 1 2 314.476 2.387 50 0 DEAALO Cc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000036394246 401905383 /nfs/dbraw/zinc/90/53/83/401905383.db2.gz AZWUODFSSPUSER-MRXNPFEDSA-N 1 2 312.369 2.348 50 0 DEAALO Cc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000036394246 401905384 /nfs/dbraw/zinc/90/53/84/401905384.db2.gz AZWUODFSSPUSER-MRXNPFEDSA-N 1 2 312.369 2.348 50 0 DEAALO Cc1nnc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C ZINC000036397787 401905664 /nfs/dbraw/zinc/90/56/64/401905664.db2.gz NZEGNPQLCJTHRD-UHFFFAOYSA-N 1 2 319.840 2.095 50 0 DEAALO CN(C)c1[nH+]cccc1CNC(=S)NCCc1ccccc1 ZINC000036845876 401908498 /nfs/dbraw/zinc/90/84/98/401908498.db2.gz OYXXQXAOHWJGTB-UHFFFAOYSA-N 1 2 314.458 2.354 50 0 DEAALO COCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1cccc(C)c1 ZINC000089669537 401956931 /nfs/dbraw/zinc/95/69/31/401956931.db2.gz DZVRAIJJHCQSHY-UHFFFAOYSA-N 1 2 320.414 2.373 50 0 DEAALO COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000046985305 401977596 /nfs/dbraw/zinc/97/75/96/401977596.db2.gz LSJPJBXWXJQZOP-NWDGAFQWSA-N 1 2 320.368 2.480 50 0 DEAALO CN(C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1nccs1 ZINC000089365688 401943367 /nfs/dbraw/zinc/94/33/67/401943367.db2.gz PAKZUDFGJBRVGP-GFCCVEGCSA-N 1 2 305.407 2.056 50 0 DEAALO CN(C(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1nccs1 ZINC000089365688 401943368 /nfs/dbraw/zinc/94/33/68/401943368.db2.gz PAKZUDFGJBRVGP-GFCCVEGCSA-N 1 2 305.407 2.056 50 0 DEAALO COc1ccc(C[N@H+](C)CC(=O)Nc2nccs2)cc1OC ZINC000044888952 401948833 /nfs/dbraw/zinc/94/88/33/401948833.db2.gz FUPURBUDJMIJQJ-UHFFFAOYSA-N 1 2 321.402 2.231 50 0 DEAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2nccs2)cc1OC ZINC000044888952 401948836 /nfs/dbraw/zinc/94/88/36/401948836.db2.gz FUPURBUDJMIJQJ-UHFFFAOYSA-N 1 2 321.402 2.231 50 0 DEAALO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000135643665 401949148 /nfs/dbraw/zinc/94/91/48/401949148.db2.gz HDNZHELFQDQGDI-CQSZACIVSA-N 1 2 324.388 2.375 50 0 DEAALO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000135643665 401949152 /nfs/dbraw/zinc/94/91/52/401949152.db2.gz HDNZHELFQDQGDI-CQSZACIVSA-N 1 2 324.388 2.375 50 0 DEAALO Cc1nnc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)s1 ZINC000049365686 402016090 /nfs/dbraw/zinc/01/60/90/402016090.db2.gz PWDKENZRZZIUSI-UHFFFAOYSA-N 1 2 323.447 2.121 50 0 DEAALO O=C1O[C@@H](N2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000049546330 402019366 /nfs/dbraw/zinc/01/93/66/402019366.db2.gz ZXYARPKIPIVKIK-QGZVFWFLSA-N 1 2 309.369 2.068 50 0 DEAALO CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccccc1C ZINC000095948544 402035543 /nfs/dbraw/zinc/03/55/43/402035543.db2.gz WUDYJUINUGDSLS-OAHLLOKOSA-N 1 2 305.422 2.252 50 0 DEAALO CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccccc1C ZINC000095948544 402035546 /nfs/dbraw/zinc/03/55/46/402035546.db2.gz WUDYJUINUGDSLS-OAHLLOKOSA-N 1 2 305.422 2.252 50 0 DEAALO O=C(N[C@@H](CCO)c1cccs1)c1ccn2cc[nH+]c2c1 ZINC000095976889 402040591 /nfs/dbraw/zinc/04/05/91/402040591.db2.gz WANIPKCCRJFDAA-LBPRGKRZSA-N 1 2 301.371 2.249 50 0 DEAALO CN1CCCc2cc(NC(=O)NCCCn3cc[nH+]c3)ccc21 ZINC000064430119 402120123 /nfs/dbraw/zinc/12/01/23/402120123.db2.gz ZIRWWNDZVFYHCK-UHFFFAOYSA-N 1 2 313.405 2.477 50 0 DEAALO Cn1cc[nH+]c1CCNC(=O)/C=C\c1cccc2cccnc12 ZINC000096400795 402077683 /nfs/dbraw/zinc/07/76/83/402077683.db2.gz AQZFJDOCXFXSIK-FPLPWBNLSA-N 1 2 306.369 2.340 50 0 DEAALO c1ccc(-c2nc(CSCC[NH+]3CCOCC3)no2)cc1 ZINC000096485728 402094783 /nfs/dbraw/zinc/09/47/83/402094783.db2.gz LSBMBVHJTGLPQZ-UHFFFAOYSA-N 1 2 305.403 2.302 50 0 DEAALO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063567925 402113683 /nfs/dbraw/zinc/11/36/83/402113683.db2.gz FVVQACVWZMAHRA-CHWSQXEVSA-N 1 2 322.371 2.429 50 0 DEAALO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063567925 402113687 /nfs/dbraw/zinc/11/36/87/402113687.db2.gz FVVQACVWZMAHRA-CHWSQXEVSA-N 1 2 322.371 2.429 50 0 DEAALO Cc1ccc2c(c1)S[C@H](C(=O)N[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000097197630 402115449 /nfs/dbraw/zinc/11/54/49/402115449.db2.gz GZOLKCPZUQFMGS-ZFWWWQNUSA-N 1 2 313.426 2.340 50 0 DEAALO CCCN(C(=O)CN1CCn2cc[nH+]c2C1)C1=CCCCC1 ZINC000097201430 402117028 /nfs/dbraw/zinc/11/70/28/402117028.db2.gz PECIYOKDBRYSPF-UHFFFAOYSA-N 1 2 302.422 2.395 50 0 DEAALO C[C@@H](C(=O)NCCC1=CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000097201449 402117059 /nfs/dbraw/zinc/11/70/59/402117059.db2.gz MRNNULRRIBBFGP-AWEZNQCLSA-N 1 2 302.422 2.094 50 0 DEAALO CCSc1ncc(CN(Cc2[nH+]ccn2C)C2CC2)cn1 ZINC000097244150 402119605 /nfs/dbraw/zinc/11/96/05/402119605.db2.gz CSCWYVTYWNZDNT-UHFFFAOYSA-N 1 2 303.435 2.487 50 0 DEAALO c1[nH]cc(Cc2nc([C@H]3CCOC3)nn2Cc2ccccc2)[nH+]1 ZINC000097594986 402127490 /nfs/dbraw/zinc/12/74/90/402127490.db2.gz QRPACENZIGCTHI-AWEZNQCLSA-N 1 2 309.373 2.144 50 0 DEAALO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccnn2C)CC1 ZINC000103974082 402195844 /nfs/dbraw/zinc/19/58/44/402195844.db2.gz MEYICUPYOBYAHG-ZDUSSCGKSA-N 1 2 316.380 2.078 50 0 DEAALO C[N@H+](Cc1cc(-c2cccs2)n[nH]1)Cc1cnc(N)nc1 ZINC000067841771 402174734 /nfs/dbraw/zinc/17/47/34/402174734.db2.gz PSCZOJIMDWKOOF-UHFFFAOYSA-N 1 2 300.391 2.142 50 0 DEAALO C[N@@H+](Cc1cc(-c2cccs2)n[nH]1)Cc1cnc(N)nc1 ZINC000067841771 402174738 /nfs/dbraw/zinc/17/47/38/402174738.db2.gz PSCZOJIMDWKOOF-UHFFFAOYSA-N 1 2 300.391 2.142 50 0 DEAALO Cn1cc[nH+]c1CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000069460745 402225532 /nfs/dbraw/zinc/22/55/32/402225532.db2.gz TXBCURORYVIBAI-UHFFFAOYSA-N 1 2 304.438 2.035 50 0 DEAALO Cn1ccnc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000069460745 402225535 /nfs/dbraw/zinc/22/55/35/402225535.db2.gz TXBCURORYVIBAI-UHFFFAOYSA-N 1 2 304.438 2.035 50 0 DEAALO Cn1ccnc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000069460745 402225537 /nfs/dbraw/zinc/22/55/37/402225537.db2.gz TXBCURORYVIBAI-UHFFFAOYSA-N 1 2 304.438 2.035 50 0 DEAALO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2[C@@H](C)c2nc(C3CC3)no2)n1 ZINC000069740927 402241728 /nfs/dbraw/zinc/24/17/28/402241728.db2.gz XQEJEWCAYUZWLV-HZMBPMFUSA-N 1 2 316.409 2.381 50 0 DEAALO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2[C@@H](C)c2nc(C3CC3)no2)n1 ZINC000069740927 402241732 /nfs/dbraw/zinc/24/17/32/402241732.db2.gz XQEJEWCAYUZWLV-HZMBPMFUSA-N 1 2 316.409 2.381 50 0 DEAALO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3nc(C4CC4)no3)C2)n1 ZINC000069841418 402246361 /nfs/dbraw/zinc/24/63/61/402246361.db2.gz NJXLBPPJYGALPQ-CYBMUJFWSA-N 1 2 316.409 2.068 50 0 DEAALO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3nc(C4CC4)no3)C2)n1 ZINC000069841418 402246363 /nfs/dbraw/zinc/24/63/63/402246363.db2.gz NJXLBPPJYGALPQ-CYBMUJFWSA-N 1 2 316.409 2.068 50 0 DEAALO CCOc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000069900075 402250436 /nfs/dbraw/zinc/25/04/36/402250436.db2.gz DDDSXMHZHCREOB-AWEZNQCLSA-N 1 2 300.362 2.154 50 0 DEAALO CC1=CC[C@@H]2CN(c3ccc(CS(C)(=O)=O)c[nH+]3)C[C@@H]2C1 ZINC000071405659 402273959 /nfs/dbraw/zinc/27/39/59/402273959.db2.gz BRHVQNPOLSKPMJ-CABCVRRESA-N 1 2 306.431 2.419 50 0 DEAALO Cn1cc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccccc2)cn1 ZINC000071797153 402278313 /nfs/dbraw/zinc/27/83/13/402278313.db2.gz OLHFWMQWEHGULR-INIZCTEOSA-N 1 2 319.430 2.031 50 0 DEAALO Cn1cc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccccc2)cn1 ZINC000071797153 402278318 /nfs/dbraw/zinc/27/83/18/402278318.db2.gz OLHFWMQWEHGULR-INIZCTEOSA-N 1 2 319.430 2.031 50 0 DEAALO CC(=O)N1CCC[N@@H+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000071801958 402278850 /nfs/dbraw/zinc/27/88/50/402278850.db2.gz NEZQTBQZGNIZIE-LLVKDONJSA-N 1 2 320.418 2.413 50 0 DEAALO CC(=O)N1CCC[N@H+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000071801958 402278851 /nfs/dbraw/zinc/27/88/51/402278851.db2.gz NEZQTBQZGNIZIE-LLVKDONJSA-N 1 2 320.418 2.413 50 0 DEAALO COCCc1noc([C@H]2CCCCN2Cc2c[nH+]c(C)[nH]2)n1 ZINC000216325107 402288562 /nfs/dbraw/zinc/28/85/62/402288562.db2.gz WSJKKALUXMCTCG-CYBMUJFWSA-N 1 2 305.382 2.017 50 0 DEAALO COCCc1noc([C@H]2CCCCN2Cc2c[nH]c(C)[nH+]2)n1 ZINC000216325107 402288563 /nfs/dbraw/zinc/28/85/63/402288563.db2.gz WSJKKALUXMCTCG-CYBMUJFWSA-N 1 2 305.382 2.017 50 0 DEAALO CCN(C(=O)C[N@@H+]1CCc2cnc(C)nc2C1)C1=CCCCC1 ZINC000071859673 402289351 /nfs/dbraw/zinc/28/93/51/402289351.db2.gz NJUIYGLHZCKKGQ-UHFFFAOYSA-N 1 2 314.433 2.450 50 0 DEAALO CCN(C(=O)C[N@H+]1CCc2cnc(C)nc2C1)C1=CCCCC1 ZINC000071859673 402289356 /nfs/dbraw/zinc/28/93/56/402289356.db2.gz NJUIYGLHZCKKGQ-UHFFFAOYSA-N 1 2 314.433 2.450 50 0 DEAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)c1[nH]nc(N)c1-c1ccccc1 ZINC000223347382 402310685 /nfs/dbraw/zinc/31/06/85/402310685.db2.gz ACMPBQPGQDEWQZ-CYBMUJFWSA-N 1 2 324.388 2.064 50 0 DEAALO Cc1cc2n(n1)CCN(Cc1c[nH+]cn1Cc1ccccc1)C2 ZINC000244748713 402449414 /nfs/dbraw/zinc/44/94/14/402449414.db2.gz ONADPINMAVFIHX-UHFFFAOYSA-N 1 2 307.401 2.452 50 0 DEAALO O=C(NCc1cccs1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000162781498 402431756 /nfs/dbraw/zinc/43/17/56/402431756.db2.gz SGXSHWVRUDYDTR-GFCCVEGCSA-N 1 2 302.403 2.221 50 0 DEAALO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC000244734698 402448819 /nfs/dbraw/zinc/44/88/19/402448819.db2.gz NKFURTMBPVZVKN-KRWDZBQOSA-N 1 2 312.417 2.032 50 0 DEAALO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000244734698 402448820 /nfs/dbraw/zinc/44/88/20/402448820.db2.gz NKFURTMBPVZVKN-KRWDZBQOSA-N 1 2 312.417 2.032 50 0 DEAALO CCCc1nc(CN2CCN(c3cc(C)cc[nH+]3)CC2)no1 ZINC000166031395 402480765 /nfs/dbraw/zinc/48/07/65/402480765.db2.gz LDZBXBHYGYPKOU-UHFFFAOYSA-N 1 2 301.394 2.048 50 0 DEAALO Nc1ccc2c(ncnc2NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000170604243 402506739 /nfs/dbraw/zinc/50/67/39/402506739.db2.gz IGHNXZVNGPQJCB-UHFFFAOYSA-N 1 2 317.356 2.405 50 0 DEAALO CCNC(=O)CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000252570966 402659190 /nfs/dbraw/zinc/65/91/90/402659190.db2.gz XLMQLJBXAHJXNO-ONEGZZNKSA-N 1 2 321.852 2.107 50 0 DEAALO CCNC(=O)C[NH+]1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000252570966 402659192 /nfs/dbraw/zinc/65/91/92/402659192.db2.gz XLMQLJBXAHJXNO-ONEGZZNKSA-N 1 2 321.852 2.107 50 0 DEAALO Cc1ccc2[nH]c(CCNC(=O)[C@H]3CC[C@@H](O)CC3)[nH+]c2c1C ZINC000252482866 402654506 /nfs/dbraw/zinc/65/45/06/402654506.db2.gz 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/nfs/dbraw/zinc/72/20/33/355722033.db2.gz UTMKLOGTXMLEHV-CQSZACIVSA-N 1 2 321.808 2.316 50 0 DEAALO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2[C@H](C)c2nnc(C)o2)n1 ZINC000106784994 355725968 /nfs/dbraw/zinc/72/59/68/355725968.db2.gz KALJHJGAWPTJOS-QMTHXVAHSA-N 1 2 304.398 2.202 50 0 DEAALO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2[C@H](C)c2nnc(C)o2)n1 ZINC000106784994 355725973 /nfs/dbraw/zinc/72/59/73/355725973.db2.gz KALJHJGAWPTJOS-QMTHXVAHSA-N 1 2 304.398 2.202 50 0 DEAALO N#Cc1cccc(C(=O)N2CC([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000390829427 356710333 /nfs/dbraw/zinc/71/03/33/356710333.db2.gz YPEMPIPYZPIIEQ-UHFFFAOYSA-N 1 2 317.392 2.441 50 0 DEAALO N#Cc1cccc(C(=O)N2CC([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000390829427 356710337 /nfs/dbraw/zinc/71/03/37/356710337.db2.gz YPEMPIPYZPIIEQ-UHFFFAOYSA-N 1 2 317.392 2.441 50 0 DEAALO CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)c2cccc(Cl)c2)CCO1 ZINC000187309097 200093433 /nfs/dbraw/zinc/09/34/33/200093433.db2.gz LZDGQUWABRGMQM-BLLLJJGKSA-N 1 2 310.825 2.280 50 0 DEAALO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)c2cccc(Cl)c2)CCO1 ZINC000187309097 200093435 /nfs/dbraw/zinc/09/34/35/200093435.db2.gz LZDGQUWABRGMQM-BLLLJJGKSA-N 1 2 310.825 2.280 50 0 DEAALO Cc1csc([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)n1 ZINC000188883626 200315647 /nfs/dbraw/zinc/31/56/47/200315647.db2.gz XVDHWKPSNLMYAM-JSGCOSHPSA-N 1 2 323.462 2.272 50 0 DEAALO Cc1csc([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)n1 ZINC000188883626 200315649 /nfs/dbraw/zinc/31/56/49/200315649.db2.gz XVDHWKPSNLMYAM-JSGCOSHPSA-N 1 2 323.462 2.272 50 0 DEAALO COCc1nc(C[NH+]2CCCC2)n(Cc2ccc(OC)cc2)n1 ZINC000670440456 540934104 /nfs/dbraw/zinc/93/41/04/540934104.db2.gz PAFFSKUEWUKQAL-UHFFFAOYSA-N 1 2 316.405 2.077 50 0 DEAALO COc1cc[nH+]c(CN(C)Cc2noc(C3CCC3)n2)c1OC ZINC000670462918 540937645 /nfs/dbraw/zinc/93/76/45/540937645.db2.gz MZNGHYQWUJURDM-UHFFFAOYSA-N 1 2 318.377 2.381 50 0 DEAALO Cc1[nH+]c(CN2CCN(c3ncccc3Cl)CC2)n(C)c1C ZINC000670466596 540937766 /nfs/dbraw/zinc/93/77/66/540937766.db2.gz 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/nfs/dbraw/zinc/45/64/16/193456416.db2.gz DXZWWRPDIUFMSC-UHFFFAOYSA-N 1 2 318.446 2.313 50 0 DEAALO O=C1CC2(CCCC2)C(=O)N1C[N@@H+]1CCc2sccc2C1 ZINC000014309995 181948928 /nfs/dbraw/zinc/94/89/28/181948928.db2.gz CVWIUEKUWWKAEB-UHFFFAOYSA-N 1 2 304.415 2.383 50 0 DEAALO O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CCc2sccc2C1 ZINC000014309995 181948930 /nfs/dbraw/zinc/94/89/30/181948930.db2.gz CVWIUEKUWWKAEB-UHFFFAOYSA-N 1 2 304.415 2.383 50 0 DEAALO CCc1cccc(C)c1N1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000016741207 182059597 /nfs/dbraw/zinc/05/95/97/182059597.db2.gz NSRKZZXYNPJBJW-NEPJUHHUSA-N 1 2 310.444 2.211 50 0 DEAALO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCOCC1 ZINC000019908842 182162979 /nfs/dbraw/zinc/16/29/79/182162979.db2.gz SXOKHYRYUFMOIX-SFHVURJKSA-N 1 2 313.397 2.426 50 0 DEAALO Cc1sc(N)nc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000020330640 182208592 /nfs/dbraw/zinc/20/85/92/182208592.db2.gz WTZJWQCWTBHKDB-UHFFFAOYSA-N 1 2 319.430 2.412 50 0 DEAALO Cn1nccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020410690 182215372 /nfs/dbraw/zinc/21/53/72/182215372.db2.gz PUJKYBNJTNOFDY-UHFFFAOYSA-N 1 2 318.808 2.032 50 0 DEAALO O=C([C@@H]1CCCO1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020470458 182221607 /nfs/dbraw/zinc/22/16/07/182221607.db2.gz IYHTXLDSZXHJHW-AUNFYEFLSA-N 1 2 300.402 2.023 50 0 DEAALO CC[C@@H](Oc1ccccc1OC)C(=O)NCCCn1cc[nH+]c1 ZINC000020567966 182233516 /nfs/dbraw/zinc/23/35/16/182233516.db2.gz BDWSWPQJEXSFQA-CQSZACIVSA-N 1 2 317.389 2.256 50 0 DEAALO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3cc4c(cc23)OCO4)C[C@H](C)O1 ZINC000020610110 182238450 /nfs/dbraw/zinc/23/84/50/182238450.db2.gz MWCWHPXKIQVACZ-PHIMTYICSA-N 1 2 317.341 2.131 50 0 biogenic DEAALO C[C@@H]1C[N@H+](Cc2cc(=O)oc3cc4c(cc23)OCO4)C[C@H](C)O1 ZINC000020610110 182238451 /nfs/dbraw/zinc/23/84/51/182238451.db2.gz MWCWHPXKIQVACZ-PHIMTYICSA-N 1 2 317.341 2.131 50 0 biogenic DEAALO Fc1ccccc1-c1noc(NCCC[NH+]2CCOCC2)n1 ZINC000020996772 182258031 /nfs/dbraw/zinc/25/80/31/182258031.db2.gz KGZOXLNYKFOLIQ-UHFFFAOYSA-N 1 2 306.341 2.010 50 0 DEAALO CC(C)(CNC(=O)c1ccc2c(c1)CCC2)[NH+]1CCOCC1 ZINC000022025269 182304673 /nfs/dbraw/zinc/30/46/73/182304673.db2.gz AATZYUQTBOGMKV-UHFFFAOYSA-N 1 2 302.418 2.016 50 0 DEAALO C[NH+]1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000023702201 182366673 /nfs/dbraw/zinc/36/66/73/182366673.db2.gz KTQSQUWGABQCTN-UHFFFAOYSA-N 1 2 310.401 2.137 50 0 DEAALO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000040012032 183027483 /nfs/dbraw/zinc/02/74/83/183027483.db2.gz MYUPWMZZDUNGJN-QKPAOTATSA-N 1 2 324.465 2.188 50 0 DEAALO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000040012032 183027486 /nfs/dbraw/zinc/02/74/86/183027486.db2.gz MYUPWMZZDUNGJN-QKPAOTATSA-N 1 2 324.465 2.188 50 0 DEAALO Cc1nn(C)c(C)c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000040485500 183077696 /nfs/dbraw/zinc/07/76/96/183077696.db2.gz RMSWKXJEYAWJCK-UHFFFAOYSA-N 1 2 323.400 2.212 50 0 DEAALO CN(C)c1ccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c[nH+]1 ZINC000040510862 183086925 /nfs/dbraw/zinc/08/69/25/183086925.db2.gz YQVMLWJXKGYMRZ-GFCCVEGCSA-N 1 2 302.205 2.348 50 0 DEAALO Cn1c(Cl)c(Cl)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000041749506 183219426 /nfs/dbraw/zinc/21/94/26/183219426.db2.gz IIDMGKAHKYVVQB-UHFFFAOYSA-N 1 2 301.177 2.349 50 0 DEAALO OCCN1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000042666329 183295349 /nfs/dbraw/zinc/29/53/49/183295349.db2.gz SJQBELXLIOLGQT-UHFFFAOYSA-N 1 2 321.808 2.105 50 0 DEAALO COc1ccc(F)cc1[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000043310973 183354359 /nfs/dbraw/zinc/35/43/59/183354359.db2.gz URDUXWAESCOTSG-NSHDSACASA-N 1 2 306.341 2.091 50 0 DEAALO CCOC(=O)c1ccoc1C[NH+]1CCC(C(=O)OCC)CC1 ZINC000058283220 184099820 /nfs/dbraw/zinc/09/98/20/184099820.db2.gz SWPOTZUXIMXKFZ-UHFFFAOYSA-N 1 2 309.362 2.231 50 0 DEAALO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000058412739 184115026 /nfs/dbraw/zinc/11/50/26/184115026.db2.gz CFKMXONTCNHTDN-UHFFFAOYSA-N 1 2 324.432 2.270 50 0 DEAALO Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000065410806 184340082 /nfs/dbraw/zinc/34/00/82/184340082.db2.gz DHZPEKNQKHAKOU-JTQLQIEISA-N 1 2 313.810 2.212 50 0 DEAALO Cc1cccn2c(CC(=O)N3CCC[C@@H]3Cn3cccn3)c[nH+]c12 ZINC000065502262 184356284 /nfs/dbraw/zinc/35/62/84/184356284.db2.gz MXUMKSFJEVKJEB-OAHLLOKOSA-N 1 2 323.400 2.073 50 0 DEAALO CC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000034876806 285330278 /nfs/dbraw/zinc/33/02/78/285330278.db2.gz PJYFDDZGBTVTEI-UHFFFAOYSA-N 1 2 322.352 2.032 50 0 DEAALO Cn1[nH]c(-c2ccccc2)nc1=NCc1cccc2[nH+]ccn21 ZINC000359278233 147298004 /nfs/dbraw/zinc/29/80/04/147298004.db2.gz NTDDMYXIZIRZQN-UHFFFAOYSA-N 1 2 304.357 2.164 50 0 DEAALO COc1ccccc1NC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000007048987 401735987 /nfs/dbraw/zinc/73/59/87/401735987.db2.gz KFDGZKNVQWLJON-SNVBAGLBSA-N 1 2 318.402 2.495 50 0 DEAALO Cc1cc(N)nc(SCC(=O)Nc2cc(F)ccc2F)[nH+]1 ZINC000007048420 401736143 /nfs/dbraw/zinc/73/61/43/401736143.db2.gz QCXCKKAPWKYGPL-UHFFFAOYSA-N 1 2 310.329 2.376 50 0 DEAALO COC[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000074534365 401741576 /nfs/dbraw/zinc/74/15/76/401741576.db2.gz REGHTGZCYKSMFE-CQSZACIVSA-N 1 2 308.426 2.107 50 0 DEAALO Cc1cnn(C2C[NH+]([C@H](C)C(=O)N3CCc4ccccc4C3)C2)c1 ZINC000071878796 401691183 /nfs/dbraw/zinc/69/11/83/401691183.db2.gz UERNIRDKSBMPBF-OAHLLOKOSA-N 1 2 324.428 2.022 50 0 DEAALO CCCCn1nnnc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000072253557 401704236 /nfs/dbraw/zinc/70/42/36/401704236.db2.gz WRTIFTIVDUSDHS-CQSZACIVSA-N 1 2 317.441 2.161 50 0 DEAALO CCCCn1nnnc1C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000072253557 401704237 /nfs/dbraw/zinc/70/42/37/401704237.db2.gz WRTIFTIVDUSDHS-CQSZACIVSA-N 1 2 317.441 2.161 50 0 DEAALO Cc1ccc(-c2noc(C[N@H+]3CCC[C@H]3C(=O)N(C)C)n2)cc1 ZINC000014161137 401808263 /nfs/dbraw/zinc/80/82/63/401808263.db2.gz CEWXQDSORGCICH-AWEZNQCLSA-N 1 2 314.389 2.098 50 0 DEAALO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3C(=O)N(C)C)n2)cc1 ZINC000014161137 401808267 /nfs/dbraw/zinc/80/82/67/401808267.db2.gz CEWXQDSORGCICH-AWEZNQCLSA-N 1 2 314.389 2.098 50 0 DEAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)on1 ZINC000075132337 401750982 /nfs/dbraw/zinc/75/09/82/401750982.db2.gz FPXHKPXZMRLHEP-CYBMUJFWSA-N 1 2 317.393 2.109 50 0 DEAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)on1 ZINC000075132337 401750985 /nfs/dbraw/zinc/75/09/85/401750985.db2.gz FPXHKPXZMRLHEP-CYBMUJFWSA-N 1 2 317.393 2.109 50 0 DEAALO CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2ccn(C)c(=O)c2)no1 ZINC000075573268 401762969 /nfs/dbraw/zinc/76/29/69/401762969.db2.gz RUWXQSLVPUOFBF-ZDUSSCGKSA-N 1 2 302.378 2.229 50 0 DEAALO CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2ccn(C)c(=O)c2)no1 ZINC000075573268 401762973 /nfs/dbraw/zinc/76/29/73/401762973.db2.gz RUWXQSLVPUOFBF-ZDUSSCGKSA-N 1 2 302.378 2.229 50 0 DEAALO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3CCCC3)CCO2)c(C)c1 ZINC000075787394 401768938 /nfs/dbraw/zinc/76/89/38/401768938.db2.gz VTSQSQCNWUSEDQ-KRWDZBQOSA-N 1 2 302.418 2.299 50 0 DEAALO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCCC3)CCO2)c(C)c1 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Fc1ccc(-c2ccc(NCC[NH+]3CCOCC3)nn2)cc1 ZINC000012481271 401786276 /nfs/dbraw/zinc/78/62/76/401786276.db2.gz GTVBRXJZWAQUEX-UHFFFAOYSA-N 1 2 302.353 2.027 50 0 DEAALO Cn1ncc2c1nc[nH+]c2NCc1cnn(-c2ccccc2)c1 ZINC000014315138 401811137 /nfs/dbraw/zinc/81/11/37/401811137.db2.gz YJWFOJIFGDSABW-UHFFFAOYSA-N 1 2 305.345 2.161 50 0 DEAALO C[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccsc1 ZINC000012912343 401793394 /nfs/dbraw/zinc/79/33/94/401793394.db2.gz RFOJWMVSHGTCLP-UHFFFAOYSA-N 1 2 317.414 2.206 50 0 DEAALO C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccsc1 ZINC000012912343 401793396 /nfs/dbraw/zinc/79/33/96/401793396.db2.gz RFOJWMVSHGTCLP-UHFFFAOYSA-N 1 2 317.414 2.206 50 0 DEAALO O=C(NCc1ccc[nH+]c1N1CCC[C@H](O)C1)c1ccsc1 ZINC000019146272 401822016 /nfs/dbraw/zinc/82/20/16/401822016.db2.gz WJWCYOSOMDEHCC-AWEZNQCLSA-N 1 2 317.414 2.034 50 0 DEAALO Cn1cc(C2N3CC4(C)C[NH+]2CC(C)(C3)C4=O)c2ccccc21 ZINC000019322767 401822420 /nfs/dbraw/zinc/82/24/20/401822420.db2.gz OILSUAOPHMBUFP-UHFFFAOYSA-N 1 2 309.413 2.403 50 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Cc1cc2[nH]c(CCNC(=O)[C@H]3CCC[C@H](O)C3)[nH+]c2cc1C ZINC000223421067 402310991 /nfs/dbraw/zinc/31/09/91/402310991.db2.gz OKUISEQLRHYCDA-KBPBESRZSA-N 1 2 315.417 2.390 50 0 DEAALO c1c(CCNc2cc(N3CCOCC3)nc[nH+]2)[nH]c2ccccc12 ZINC000225482115 402318894 /nfs/dbraw/zinc/31/88/94/402318894.db2.gz FKBGOICNONBJCU-UHFFFAOYSA-N 1 2 323.400 2.449 50 0 DEAALO c1c(CCNc2cc(N3CCOCC3)[nH+]cn2)[nH]c2ccccc12 ZINC000225482115 402318897 /nfs/dbraw/zinc/31/88/97/402318897.db2.gz FKBGOICNONBJCU-UHFFFAOYSA-N 1 2 323.400 2.449 50 0 DEAALO c1cncc(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)c1 ZINC000225507309 402319535 /nfs/dbraw/zinc/31/95/35/402319535.db2.gz ZPLLXXDLEFOGRR-AWEZNQCLSA-N 1 2 300.362 2.448 50 0 DEAALO c1cncc(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)c1 ZINC000225507309 402319537 /nfs/dbraw/zinc/31/95/37/402319537.db2.gz ZPLLXXDLEFOGRR-AWEZNQCLSA-N 1 2 300.362 2.448 50 0 DEAALO O=C(NCc1cccs1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000162781370 402431895 /nfs/dbraw/zinc/43/18/95/402431895.db2.gz 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/nfs/dbraw/zinc/99/53/10/401995310.db2.gz GPMJNEJSPBBPDZ-VXGBXAGGSA-N 1 2 320.368 2.480 50 0 DEAALO CCCCS(=O)(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043955056 401939994 /nfs/dbraw/zinc/93/99/94/401939994.db2.gz IZPXMOIKFBMLHQ-UHFFFAOYSA-N 1 2 311.451 2.018 50 0 DEAALO Cc1nnc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000044871228 401948541 /nfs/dbraw/zinc/94/85/41/401948541.db2.gz JVXSUYRYDRBRGO-ZDUSSCGKSA-N 1 2 301.346 2.486 50 0 DEAALO Cc1nnc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000044871228 401948543 /nfs/dbraw/zinc/94/85/43/401948543.db2.gz JVXSUYRYDRBRGO-ZDUSSCGKSA-N 1 2 301.346 2.486 50 0 DEAALO CC(C)(CNC(=O)c1cccc2ncccc21)[NH+]1CCOCC1 ZINC000044896867 401949750 /nfs/dbraw/zinc/94/97/50/401949750.db2.gz PWTMLAXMMCCQKI-UHFFFAOYSA-N 1 2 313.401 2.075 50 0 DEAALO C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCO1 ZINC000044910473 401950476 /nfs/dbraw/zinc/95/04/76/401950476.db2.gz QFPCGXBLRCLSGX-UKRRQHHQSA-N 1 2 323.462 2.143 50 0 DEAALO O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCc2[nH]c[nH+]c2C1 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CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000096424425 402083161 /nfs/dbraw/zinc/08/31/61/402083161.db2.gz FDCXQHSEEIRZSG-NSHDSACASA-N 1 2 323.245 2.117 50 0 DEAALO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000096424425 402083165 /nfs/dbraw/zinc/08/31/65/402083165.db2.gz FDCXQHSEEIRZSG-NSHDSACASA-N 1 2 323.245 2.117 50 0 DEAALO Cc1cc(NCCCc2[nH+]c3ccccc3n2C)n2ncnc2n1 ZINC000096444912 402088682 /nfs/dbraw/zinc/08/86/82/402088682.db2.gz ZQHQHGOILMRHHZ-UHFFFAOYSA-N 1 2 321.388 2.364 50 0 DEAALO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000096466409 402092653 /nfs/dbraw/zinc/09/26/53/402092653.db2.gz GLZJIUBUBWZPRG-AWEZNQCLSA-N 1 2 309.797 2.183 50 0 DEAALO C[N@H+]1CCO[C@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000096466409 402092657 /nfs/dbraw/zinc/09/26/57/402092657.db2.gz GLZJIUBUBWZPRG-AWEZNQCLSA-N 1 2 309.797 2.183 50 0 DEAALO C[C@H]1CN(c2ccc(NC(=O)Cn3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000058195885 402099203 /nfs/dbraw/zinc/09/92/03/402099203.db2.gz 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CCN(CC[NH+]1CCOCC1)C(=O)c1ccc2ccccc2n1 ZINC000067803087 402172878 /nfs/dbraw/zinc/17/28/78/402172878.db2.gz GOQHYTCOWKPPFW-UHFFFAOYSA-N 1 2 313.401 2.029 50 0 DEAALO CCN(Cc1c(F)cccc1F)C(=O)NCCn1cc[nH+]c1 ZINC000069349598 402219582 /nfs/dbraw/zinc/21/95/82/402219582.db2.gz CJYNSRYIPLVJNK-UHFFFAOYSA-N 1 2 308.332 2.393 50 0 DEAALO Cc1cc(C)n(C2C[NH+](CC[S@@](=O)c3ccccc3)C2)n1 ZINC000069538003 402230363 /nfs/dbraw/zinc/23/03/63/402230363.db2.gz UKXPHNMTHFXYJQ-NRFANRHFSA-N 1 2 303.431 2.164 50 0 DEAALO C[N@@H+]1CCO[C@H](CNCc2cc(F)ccc2Br)C1 ZINC000069565101 402230961 /nfs/dbraw/zinc/23/09/61/402230961.db2.gz QXZMVMFLTPWMMA-GFCCVEGCSA-N 1 2 317.202 2.008 50 0 DEAALO C[N@H+]1CCO[C@H](CNCc2cc(F)ccc2Br)C1 ZINC000069565101 402230964 /nfs/dbraw/zinc/23/09/64/402230964.db2.gz QXZMVMFLTPWMMA-GFCCVEGCSA-N 1 2 317.202 2.008 50 0 DEAALO CC(C)(C)c1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)[nH]n1 ZINC000069657019 402237091 /nfs/dbraw/zinc/23/70/91/402237091.db2.gz YKMDVJFBLUMYRY-LBPRGKRZSA-N 1 2 301.394 2.381 50 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50 0 DEAALO CS(=O)(=O)c1ccccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000083989981 192394153 /nfs/dbraw/zinc/39/41/53/192394153.db2.gz RLESAKFIDYOBIU-CQSZACIVSA-N 1 2 318.398 2.143 50 0 DEAALO CC(=O)NCCn1cc[nH+]c1-c1ccc(Oc2ncccn2)cc1 ZINC000071755148 191025360 /nfs/dbraw/zinc/02/53/60/191025360.db2.gz QIHHKWUJPOBNTI-UHFFFAOYSA-N 1 2 323.356 2.269 50 0 DEAALO CCc1cc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000072131955 191044443 /nfs/dbraw/zinc/04/44/43/191044443.db2.gz CUOKFBOVLWZAFM-MRXNPFEDSA-N 1 2 322.412 2.219 50 0 DEAALO CCOc1ccccc1CCC(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000072278509 191099517 /nfs/dbraw/zinc/09/95/17/191099517.db2.gz WMQJTTAFNNENME-OAHLLOKOSA-N 1 2 313.401 2.346 50 0 DEAALO CCc1nc2c(s1)[C@H]([N@H+](C)CCS(=O)(=O)CC)CCC2 ZINC000152495104 186078696 /nfs/dbraw/zinc/07/86/96/186078696.db2.gz DCZIHKVJOPZYCK-GFCCVEGCSA-N 1 2 316.492 2.449 50 0 DEAALO CCc1nc2c(s1)[C@H]([N@@H+](C)CCS(=O)(=O)CC)CCC2 ZINC000152495104 186078698 /nfs/dbraw/zinc/07/86/98/186078698.db2.gz 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/nfs/dbraw/zinc/86/63/24/354866324.db2.gz FYKKKBKEQWRTHG-UHFFFAOYSA-N 1 2 309.373 2.337 50 0 DEAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@H]1SCCc2ccccc21 ZINC000072298532 354900758 /nfs/dbraw/zinc/90/07/58/354900758.db2.gz PPSWOPUBJGEIEK-BBRMVZONSA-N 1 2 313.426 2.345 50 0 DEAALO Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000004945310 181177413 /nfs/dbraw/zinc/17/74/13/181177413.db2.gz PZVLUQDUAWLATB-HNNXBMFYSA-N 1 2 301.390 2.474 50 0 DEAALO CC(C)(O)CC[N@@H+]1CCO[C@H](c2noc(-c3ccccc3)n2)C1 ZINC000096000272 355698132 /nfs/dbraw/zinc/69/81/32/355698132.db2.gz GXTRSGFXTGPPOE-AWEZNQCLSA-N 1 2 317.389 2.271 50 0 DEAALO CC(C)(O)CC[N@H+]1CCO[C@H](c2noc(-c3ccccc3)n2)C1 ZINC000096000272 355698135 /nfs/dbraw/zinc/69/81/35/355698135.db2.gz GXTRSGFXTGPPOE-AWEZNQCLSA-N 1 2 317.389 2.271 50 0 DEAALO CC[N@@H+]1C[C@@H](C)N(CCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC000390833027 356710550 /nfs/dbraw/zinc/71/05/50/356710550.db2.gz ATXMISKMSQZXGZ-JKSUJKDBSA-N 1 2 324.490 2.016 50 0 DEAALO CC[N@H+]1C[C@@H](C)N(CCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC000390833027 356710553 /nfs/dbraw/zinc/71/05/53/356710553.db2.gz ATXMISKMSQZXGZ-JKSUJKDBSA-N 1 2 324.490 2.016 50 0 DEAALO CCN1C[C@@H](C)[N@H+](CCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC000390833027 356710557 /nfs/dbraw/zinc/71/05/57/356710557.db2.gz ATXMISKMSQZXGZ-JKSUJKDBSA-N 1 2 324.490 2.016 50 0 DEAALO CCN1C[C@@H](C)[N@@H+](CCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC000390833027 356710560 /nfs/dbraw/zinc/71/05/60/356710560.db2.gz ATXMISKMSQZXGZ-JKSUJKDBSA-N 1 2 324.490 2.016 50 0 DEAALO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc2cc(C)c(C)cc2o1 ZINC000187570619 200129210 /nfs/dbraw/zinc/12/92/10/200129210.db2.gz PWRCFNAAVSAMCF-UKRRQHHQSA-N 1 2 303.358 2.158 50 0 DEAALO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cc2cc(C)c(C)cc2o1 ZINC000187570619 200129213 /nfs/dbraw/zinc/12/92/13/200129213.db2.gz PWRCFNAAVSAMCF-UKRRQHHQSA-N 1 2 303.358 2.158 50 0 DEAALO COc1cccc(N2CCC([N@H+](C)Cc3ncon3)CC2)c1 ZINC000670437320 540933219 /nfs/dbraw/zinc/93/32/19/540933219.db2.gz KXGPLTLQLCRZEG-UHFFFAOYSA-N 1 2 302.378 2.179 50 0 DEAALO COc1cccc(N2CCC([N@@H+](C)Cc3ncon3)CC2)c1 ZINC000670437320 540933222 /nfs/dbraw/zinc/93/32/22/540933222.db2.gz KXGPLTLQLCRZEG-UHFFFAOYSA-N 1 2 302.378 2.179 50 0 DEAALO Cc1nn(CCO)cc1C[N@H+](C)Cc1nc2ccccc2s1 ZINC000670465102 540937736 /nfs/dbraw/zinc/93/77/36/540937736.db2.gz JXOKBTZMSOSRHI-UHFFFAOYSA-N 1 2 316.430 2.426 50 0 DEAALO Cc1nn(CCO)cc1C[N@@H+](C)Cc1nc2ccccc2s1 ZINC000670465102 540937738 /nfs/dbraw/zinc/93/77/38/540937738.db2.gz JXOKBTZMSOSRHI-UHFFFAOYSA-N 1 2 316.430 2.426 50 0 DEAALO CC[C@]1(CO)CCCN(C(=O)C[N@H+](C)Cc2ccccc2F)C1 ZINC000091644063 193083987 /nfs/dbraw/zinc/08/39/87/193083987.db2.gz KYMXKUFMMGRNKB-SFHVURJKSA-N 1 2 322.424 2.269 50 0 DEAALO CC[C@]1(CO)CCCN(C(=O)C[N@@H+](C)Cc2ccccc2F)C1 ZINC000091644063 193083989 /nfs/dbraw/zinc/08/39/89/193083989.db2.gz KYMXKUFMMGRNKB-SFHVURJKSA-N 1 2 322.424 2.269 50 0 DEAALO O=C(NCCc1ccc2c(c1)OCO2)c1ccc2[nH+]ccn2c1 ZINC000091848341 193117332 /nfs/dbraw/zinc/11/73/32/193117332.db2.gz GTNUHATWHQGICM-UHFFFAOYSA-N 1 2 309.325 2.036 50 0 DEAALO CCn1ccnc1CN(C)C(=O)[C@@H](c1ccccc1F)[NH+](C)C ZINC000095357948 193430150 /nfs/dbraw/zinc/43/01/50/193430150.db2.gz OMGFPQZSYGRYRP-MRXNPFEDSA-N 1 2 318.396 2.303 50 0 DEAALO CCCCNc1[nH+]c2ccccc2n1CC(=O)N1CCOCC1 ZINC000012631986 181783910 /nfs/dbraw/zinc/78/39/10/181783910.db2.gz NRSLCYLKYFHDRZ-UHFFFAOYSA-N 1 2 316.405 2.107 50 0 DEAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)NC(=O)NC(C)(C)C ZINC000017046869 182070796 /nfs/dbraw/zinc/07/07/96/182070796.db2.gz RWFVOHFDHVHZQQ-SNVBAGLBSA-N 1 2 320.418 2.439 50 0 DEAALO CCCC(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000019369526 182119867 /nfs/dbraw/zinc/11/98/67/182119867.db2.gz MZLLACQPYYMMHF-BBRMVZONSA-N 1 2 309.479 2.341 50 0 DEAALO c1cncc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019370448 182120004 /nfs/dbraw/zinc/12/00/04/182120004.db2.gz GTWIHPXXAWIOMH-UHFFFAOYSA-N 1 2 311.385 2.128 50 0 DEAALO c1cncc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019370448 182120006 /nfs/dbraw/zinc/12/00/06/182120006.db2.gz GTWIHPXXAWIOMH-UHFFFAOYSA-N 1 2 311.385 2.128 50 0 DEAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000019555342 182130628 /nfs/dbraw/zinc/13/06/28/182130628.db2.gz SLAJKKOTYDPXIY-UHFFFAOYSA-N 1 2 311.385 2.048 50 0 DEAALO COC(=O)[C@@H]([NH3+])c1ccc(OCc2ccccc2)c(OC)c1 ZINC000020149881 182192622 /nfs/dbraw/zinc/19/26/22/182192622.db2.gz HSRJBASWCZZAMM-INIZCTEOSA-N 1 2 301.342 2.447 50 0 DEAALO COc1cccc(NC(=S)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000021323100 182272355 /nfs/dbraw/zinc/27/23/55/182272355.db2.gz HSPHKOAVMJVCMW-UHFFFAOYSA-N 1 2 323.462 2.092 50 0 DEAALO Cc1ccsc1C[N@@H+](C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000023640315 182365114 /nfs/dbraw/zinc/36/51/14/182365114.db2.gz ANBUPYVRQUVLBI-JTQLQIEISA-N 1 2 306.439 2.083 50 0 DEAALO Cc1ccsc1C[N@H+](C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000023640315 182365116 /nfs/dbraw/zinc/36/51/16/182365116.db2.gz ANBUPYVRQUVLBI-JTQLQIEISA-N 1 2 306.439 2.083 50 0 DEAALO Cn1ncc2c1nc[nH+]c2NCc1ccc(-c2cc[nH]n2)cc1 ZINC000040536448 183095898 /nfs/dbraw/zinc/09/58/98/183095898.db2.gz YPWRSTIDJIGVGZ-UHFFFAOYSA-N 1 2 305.345 2.366 50 0 DEAALO CC(=O)c1ccc(C(=O)NCc2cc[nH+]c(N(C)C)c2)s1 ZINC000040512563 183087885 /nfs/dbraw/zinc/08/78/85/183087885.db2.gz RRLLJHRERHTTFI-UHFFFAOYSA-N 1 2 303.387 2.342 50 0 DEAALO COc1ccc([C@H](C)NC(=O)NCCn2cc[nH+]c2)cc1F ZINC000043312090 183354496 /nfs/dbraw/zinc/35/44/96/183354496.db2.gz TZKORIDYNCULPZ-NSHDSACASA-N 1 2 306.341 2.091 50 0 DEAALO O=C(C[N@@H+]1CCc2cncnc2C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000106666932 194241767 /nfs/dbraw/zinc/24/17/67/194241767.db2.gz QLWRHFIRFQQZQP-WMLDXEAASA-N 1 2 314.433 2.016 50 0 DEAALO O=C(C[N@H+]1CCc2cncnc2C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000106666932 194241768 /nfs/dbraw/zinc/24/17/68/194241768.db2.gz QLWRHFIRFQQZQP-WMLDXEAASA-N 1 2 314.433 2.016 50 0 DEAALO CC(C)c1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[nH]n1 ZINC000048375414 183653582 /nfs/dbraw/zinc/65/35/82/183653582.db2.gz BDPGYVCJWFHRDV-UHFFFAOYSA-N 1 2 313.405 2.458 50 0 DEAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000057878857 184060542 /nfs/dbraw/zinc/06/05/42/184060542.db2.gz SKSMXIRAIHKYSW-GFCCVEGCSA-N 1 2 318.446 2.484 50 0 DEAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000057878857 184060544 /nfs/dbraw/zinc/06/05/44/184060544.db2.gz SKSMXIRAIHKYSW-GFCCVEGCSA-N 1 2 318.446 2.484 50 0 DEAALO COc1ccc(OC)c([C@@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC000058265119 184096015 /nfs/dbraw/zinc/09/60/15/184096015.db2.gz HYOBYBGNSIQSBW-GFCCVEGCSA-N 1 2 303.362 2.168 50 0 DEAALO Cc1n[nH]c(C)c1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000065437229 184345258 /nfs/dbraw/zinc/34/52/58/184345258.db2.gz KPNYGGBZDCDVHN-UHFFFAOYSA-N 1 2 314.393 2.343 50 0 DEAALO Cc1[nH+]c2n(c1C)CCN(CC(=O)N1CCCc3ccccc31)C2 ZINC000065464705 184349791 /nfs/dbraw/zinc/34/97/91/184349791.db2.gz OMQOOZIKIUIBMV-UHFFFAOYSA-N 1 2 324.428 2.295 50 0 DEAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1ccc(OCC2CC2)cc1 ZINC000065477406 184352261 /nfs/dbraw/zinc/35/22/61/184352261.db2.gz VIUZFTWUFOOMEJ-HNNXBMFYSA-N 1 2 311.385 2.417 50 0 DEAALO Cc1cn2cc(NC(=O)c3cccc(NC(N)=O)c3)ccc2[nH+]1 ZINC000065491243 184353477 /nfs/dbraw/zinc/35/34/77/184353477.db2.gz CDVBRAJSOXEDLI-UHFFFAOYSA-N 1 2 309.329 2.386 50 0 DEAALO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](O)C1 ZINC000096424236 256557010 /nfs/dbraw/zinc/55/70/10/256557010.db2.gz SPUYNUZUKFYIFP-GXFFZTMASA-N 1 2 307.781 2.441 50 0 DEAALO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](O)C1 ZINC000096424236 256557014 /nfs/dbraw/zinc/55/70/14/256557014.db2.gz SPUYNUZUKFYIFP-GXFFZTMASA-N 1 2 307.781 2.441 50 0 DEAALO Cc1cc(C)n([C@H](C)C(=O)NCc2cn3cccc(C)c3[nH+]2)n1 ZINC000071896312 401693917 /nfs/dbraw/zinc/69/39/17/401693917.db2.gz HCUGKXBRZPMDAL-CQSZACIVSA-N 1 2 311.389 2.333 50 0 DEAALO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000071908157 401695636 /nfs/dbraw/zinc/69/56/36/401695636.db2.gz HLCZURBMOCQYTG-HNNXBMFYSA-N 1 2 310.401 2.304 50 0 DEAALO 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/nfs/dbraw/zinc/80/26/40/401802640.db2.gz QWCZIPGLRMBPPU-UHFFFAOYSA-N 1 2 302.403 2.462 50 0 DEAALO C[N@@H+](CC(=O)Nc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000014085873 401806206 /nfs/dbraw/zinc/80/62/06/401806206.db2.gz WNMCHUJUFVRTHL-HNNXBMFYSA-N 1 2 312.369 2.397 50 0 DEAALO C[N@H+](CC(=O)Nc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000014085873 401806207 /nfs/dbraw/zinc/80/62/07/401806207.db2.gz WNMCHUJUFVRTHL-HNNXBMFYSA-N 1 2 312.369 2.397 50 0 DEAALO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1COc2ccccc2C1 ZINC000008279367 401750732 /nfs/dbraw/zinc/75/07/32/401750732.db2.gz PKLKXJDSEIDPKE-AWEZNQCLSA-N 1 2 307.353 2.202 50 0 DEAALO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC000075130454 401750965 /nfs/dbraw/zinc/75/09/65/401750965.db2.gz BDCSOJQAHWOOJQ-UONOGXRCSA-N 1 2 301.394 2.158 50 0 DEAALO CC(C)(C)CC(=O)N1CCc2c(sc3[nH]cnc(=[NH2+])c23)C1 ZINC000008735514 401755575 /nfs/dbraw/zinc/75/55/75/401755575.db2.gz AEAZNORLBZMLCJ-UHFFFAOYSA-N 1 2 304.419 2.425 50 0 DEAALO Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1C ZINC000010088904 401768213 /nfs/dbraw/zinc/76/82/13/401768213.db2.gz QDUFSRXYGBZKKM-OAHLLOKOSA-N 1 2 322.430 2.478 50 0 DEAALO O=C(Cn1cc[nH+]c1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000010809662 401772230 /nfs/dbraw/zinc/77/22/30/401772230.db2.gz GSMXUFIFTJDURW-UHFFFAOYSA-N 1 2 312.373 2.194 50 0 DEAALO Cc1ccc2nc(C[N@@H+]3CCn4cccc4[C@@H]3C)cc(=O)n2c1 ZINC000014246885 401810299 /nfs/dbraw/zinc/81/02/99/401810299.db2.gz XLEONHOQLIOWBU-AWEZNQCLSA-N 1 2 308.385 2.381 50 0 DEAALO Cc1ccc2nc(C[N@H+]3CCn4cccc4[C@@H]3C)cc(=O)n2c1 ZINC000014246885 401810301 /nfs/dbraw/zinc/81/03/01/401810301.db2.gz XLEONHOQLIOWBU-AWEZNQCLSA-N 1 2 308.385 2.381 50 0 DEAALO OCC[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccccc1 ZINC000012094329 401779004 /nfs/dbraw/zinc/77/90/04/401779004.db2.gz JCYOHXUEUXRPFL-UHFFFAOYSA-N 1 2 310.357 2.126 50 0 DEAALO OCC[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccccc1 ZINC000012094329 401779006 /nfs/dbraw/zinc/77/90/06/401779006.db2.gz JCYOHXUEUXRPFL-UHFFFAOYSA-N 1 2 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/nfs/dbraw/zinc/25/58/85/402255885.db2.gz OPUKCROSJXNVNL-MRXNPFEDSA-N 1 2 320.477 2.361 50 0 DEAALO Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000071796460 402278223 /nfs/dbraw/zinc/27/82/23/402278223.db2.gz FJZSMBDTTPCMCC-SMDDNHRTSA-N 1 2 302.378 2.455 50 0 DEAALO COc1ccc(OC)c2c1C[N@H+](Cc1ccccn1)C[C@@H]2O ZINC000071804926 402279987 /nfs/dbraw/zinc/27/99/87/402279987.db2.gz NAYVKELZXKFLQL-AWEZNQCLSA-N 1 2 300.358 2.148 50 0 DEAALO COc1ccc(OC)c2c1C[N@@H+](Cc1ccccn1)C[C@@H]2O ZINC000071804926 402279992 /nfs/dbraw/zinc/27/99/92/402279992.db2.gz NAYVKELZXKFLQL-AWEZNQCLSA-N 1 2 300.358 2.148 50 0 DEAALO CC(C)c1nc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)co1 ZINC000215329875 402281694 /nfs/dbraw/zinc/28/16/94/402281694.db2.gz WQEFMXJQLXAWBA-MRXNPFEDSA-N 1 2 307.438 2.485 50 0 DEAALO CC(C)c1nc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)co1 ZINC000215329875 402281698 /nfs/dbraw/zinc/28/16/98/402281698.db2.gz WQEFMXJQLXAWBA-MRXNPFEDSA-N 1 2 307.438 2.485 50 0 DEAALO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@](O)(CO)CC2)[nH]1 ZINC000216097176 402286979 /nfs/dbraw/zinc/28/69/79/402286979.db2.gz PNBYYEPLURLJRN-OAHLLOKOSA-N 1 2 315.845 2.115 50 0 DEAALO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@](O)(CO)CC2)[nH]1 ZINC000216097176 402286984 /nfs/dbraw/zinc/28/69/84/402286984.db2.gz PNBYYEPLURLJRN-OAHLLOKOSA-N 1 2 315.845 2.115 50 0 DEAALO CCCCc1nc(Cl)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N(C)C3=O)[nH]1 ZINC000216252212 402287536 /nfs/dbraw/zinc/28/75/36/402287536.db2.gz QYPOASLNBHFQTJ-NEPJUHHUSA-N 1 2 324.856 2.458 50 0 DEAALO CCCCc1nc(Cl)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N(C)C3=O)[nH]1 ZINC000216252212 402287539 /nfs/dbraw/zinc/28/75/39/402287539.db2.gz QYPOASLNBHFQTJ-NEPJUHHUSA-N 1 2 324.856 2.458 50 0 DEAALO COCCn1cc[nH+]c1CN(C)Cc1nc2cc(F)ccc2[nH]1 ZINC000216291649 402287887 /nfs/dbraw/zinc/28/78/87/402287887.db2.gz UFGZTJRJWSCZIB-UHFFFAOYSA-N 1 2 317.368 2.177 50 0 DEAALO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000071859637 402289771 /nfs/dbraw/zinc/28/97/71/402289771.db2.gz 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COc1c(F)cc(-c2[nH+]ccn2[C@H]2CCNC2=O)cc1Cl ZINC000077390098 401813298 /nfs/dbraw/zinc/81/32/98/401813298.db2.gz VDCQUWLPBUJIDW-NSHDSACASA-N 1 2 309.728 2.412 50 0 DEAALO OC[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000040480411 401924979 /nfs/dbraw/zinc/92/49/79/401924979.db2.gz DFKJQRPMHCVMPG-ZDUSSCGKSA-N 1 2 309.373 2.024 50 0 DEAALO COc1c2c(c(NC(=O)CC(C)C)c3c1C[N@H+](C)CC3)OCO2 ZINC000032124121 401876708 /nfs/dbraw/zinc/87/67/08/401876708.db2.gz WQFLNXGREVUHKU-UHFFFAOYSA-N 1 2 320.389 2.396 50 0 biogenic DEAALO COc1c2c(c(NC(=O)CC(C)C)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032124121 401876711 /nfs/dbraw/zinc/87/67/11/401876711.db2.gz WQFLNXGREVUHKU-UHFFFAOYSA-N 1 2 320.389 2.396 50 0 biogenic DEAALO CC(C)(C)OC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000032205612 401876971 /nfs/dbraw/zinc/87/69/71/401876971.db2.gz GCEIGOQTLRKBJP-HNNXBMFYSA-N 1 2 306.406 2.273 50 0 DEAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccnc(Cl)c1 ZINC000032809364 401883862 /nfs/dbraw/zinc/88/38/62/401883862.db2.gz HIZAKEPFWQTKCE-UHFFFAOYSA-N 1 2 313.748 2.246 50 0 DEAALO CCCc1nn(C[N@H+](C)[C@@H]2C[C@H](OC)C2(CC)CC)c(=O)o1 ZINC000133446860 401886369 /nfs/dbraw/zinc/88/63/69/401886369.db2.gz UQFBSBNVFINEAE-OLZOCXBDSA-N 1 2 311.426 2.272 50 0 DEAALO CCCc1nn(C[N@@H+](C)[C@@H]2C[C@H](OC)C2(CC)CC)c(=O)o1 ZINC000133446860 401886373 /nfs/dbraw/zinc/88/63/73/401886373.db2.gz UQFBSBNVFINEAE-OLZOCXBDSA-N 1 2 311.426 2.272 50 0 DEAALO CC(=O)Nc1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000084093536 401902539 /nfs/dbraw/zinc/90/25/39/401902539.db2.gz GGXRKSRQIDNOQG-CVEARBPZSA-N 1 2 324.446 2.043 50 0 DEAALO CC(=O)Nc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000084093536 401902540 /nfs/dbraw/zinc/90/25/40/401902540.db2.gz GGXRKSRQIDNOQG-CVEARBPZSA-N 1 2 324.446 2.043 50 0 DEAALO O=C(Nc1ccc2c[nH]nc2c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000085558268 401917213 /nfs/dbraw/zinc/91/72/13/401917213.db2.gz UYUGLKBFLCQYDO-UHFFFAOYSA-N 1 2 304.313 2.396 50 0 DEAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)N2CCOCC2)CC1 ZINC000091624711 401997279 /nfs/dbraw/zinc/99/72/79/401997279.db2.gz GVMAPTAFQRZIHO-UHFFFAOYSA-N 1 2 306.410 2.096 50 0 DEAALO CCc1ncc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000091725474 401997481 /nfs/dbraw/zinc/99/74/81/401997481.db2.gz AEZTYOWTOOQZEP-INIZCTEOSA-N 1 2 310.401 2.168 50 0 DEAALO CCc1ncc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000091725474 401997484 /nfs/dbraw/zinc/99/74/84/401997484.db2.gz AEZTYOWTOOQZEP-INIZCTEOSA-N 1 2 310.401 2.168 50 0 DEAALO O=C(Cn1cc[nH+]c1)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000089768362 401961603 /nfs/dbraw/zinc/96/16/03/401961603.db2.gz NNLRPSCQWHZUFY-LBPRGKRZSA-N 1 2 314.172 2.040 50 0 DEAALO Cn1ncc2c1nc[nH+]c2NCc1ccc(-n2cccn2)cc1 ZINC000045802163 401962340 /nfs/dbraw/zinc/96/23/40/401962340.db2.gz CJLCXOJNPCPXIF-UHFFFAOYSA-N 1 2 305.345 2.161 50 0 DEAALO CC(C)[C@H](CNC(=O)c1ccc(Cl)s1)[NH+]1CCOCC1 ZINC000048324494 401998111 /nfs/dbraw/zinc/99/81/11/401998111.db2.gz WUBDLPCIKWUYKZ-NSHDSACASA-N 1 2 316.854 2.488 50 0 DEAALO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000089857648 401968788 /nfs/dbraw/zinc/96/87/88/401968788.db2.gz LBBZOTYHLIAJLQ-QZTJIDSGSA-N 1 2 306.369 2.015 50 0 DEAALO O=C(NCc1ccoc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000047089331 401978712 /nfs/dbraw/zinc/97/87/12/401978712.db2.gz LNEMSKPGOIEYGC-UHFFFAOYSA-N 1 2 305.403 2.369 50 0 DEAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCOc2ccccc21 ZINC000047867977 401989965 /nfs/dbraw/zinc/98/99/65/401989965.db2.gz GJAIGPDBTJWQEC-OCCSQVGLSA-N 1 2 300.362 2.095 50 0 DEAALO CC(C)(C)/C=C/[C@H](C(=O)[O-])[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000095374676 402029894 /nfs/dbraw/zinc/02/98/94/402029894.db2.gz OGALTEPNCHVVDX-NFBGWVBBSA-N 1 2 303.406 2.259 50 0 DEAALO OCc1csc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000095388767 402031855 /nfs/dbraw/zinc/03/18/55/402031855.db2.gz RQHKEHUABGPJAK-UHFFFAOYSA-N 1 2 307.394 2.097 50 0 DEAALO CS(=O)(=O)CC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000095973212 402039564 /nfs/dbraw/zinc/03/95/64/402039564.db2.gz KHEKDGUFHLTVLG-LBPRGKRZSA-N 1 2 317.838 2.228 50 0 DEAALO CS(=O)(=O)CC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000095973212 402039566 /nfs/dbraw/zinc/03/95/66/402039566.db2.gz KHEKDGUFHLTVLG-LBPRGKRZSA-N 1 2 317.838 2.228 50 0 DEAALO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803730 402046700 /nfs/dbraw/zinc/04/67/00/402046700.db2.gz HDALTMDMFYXEBK-CMPLNLGQSA-N 1 2 318.450 2.479 50 0 DEAALO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803730 402046701 /nfs/dbraw/zinc/04/67/01/402046701.db2.gz HDALTMDMFYXEBK-CMPLNLGQSA-N 1 2 318.450 2.479 50 0 DEAALO O=C(C[C@@H]1C=CCC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000053093761 402050923 /nfs/dbraw/zinc/05/09/23/402050923.db2.gz IYSCTMQPGPDFFB-MRXNPFEDSA-N 1 2 324.428 2.335 50 0 DEAALO O=C(Cn1ccc2ccccc21)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152969786 402119846 /nfs/dbraw/zinc/11/98/46/402119846.db2.gz URNKBEKEGSNLDA-INIZCTEOSA-N 1 2 320.396 2.431 50 0 DEAALO Cc1ccccc1N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000055060330 402074665 /nfs/dbraw/zinc/07/46/65/402074665.db2.gz YXICXJPOVDQMAX-UHFFFAOYSA-N 1 2 301.434 2.176 50 0 DEAALO CCc1cc(NC(=O)NCc2[nH+]ccn2CC(C)C)n(C)n1 ZINC000096434946 402086322 /nfs/dbraw/zinc/08/63/22/402086322.db2.gz FMMYBHGWTCKZGI-UHFFFAOYSA-N 1 2 304.398 2.157 50 0 DEAALO CS[C@@H]1CC[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000096437742 402086965 /nfs/dbraw/zinc/08/69/65/402086965.db2.gz PMEJVWJEBYMZFZ-GXTWGEPZSA-N 1 2 322.478 2.345 50 0 DEAALO C[C@@H](c1nc(C2CC2)no1)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000096449201 402089814 /nfs/dbraw/zinc/08/98/14/402089814.db2.gz SCBQOWSJECFSEN-QWRGUYRKSA-N 1 2 321.450 2.117 50 0 DEAALO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000096489788 402095643 /nfs/dbraw/zinc/09/56/43/402095643.db2.gz XNBGNCKYTGKXMF-CQSZACIVSA-N 1 2 308.426 2.349 50 0 DEAALO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000096489788 402095644 /nfs/dbraw/zinc/09/56/44/402095644.db2.gz XNBGNCKYTGKXMF-CQSZACIVSA-N 1 2 308.426 2.349 50 0 DEAALO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC000097033547 402100206 /nfs/dbraw/zinc/10/02/06/402100206.db2.gz BMRRCBKPODUPCP-SECBINFHSA-N 1 2 320.368 2.464 50 0 DEAALO NC(=O)N1CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000097034261 402100838 /nfs/dbraw/zinc/10/08/38/402100838.db2.gz OYGSEGAGAHWRAR-UHFFFAOYSA-N 1 2 303.410 2.027 50 0 DEAALO C[C@@H](Nc1cc(N[C@@H](C)[C@@H]2CCCO2)nc[nH+]1)[C@H]1CCCO1 ZINC000097163537 402113602 /nfs/dbraw/zinc/11/36/02/402113602.db2.gz NVPULYKGDSWTSO-KPWCQOOUSA-N 1 2 306.410 2.435 50 0 DEAALO C[C@@H](Nc1cc(N[C@@H](C)[C@@H]2CCCO2)[nH+]cn1)[C@H]1CCCO1 ZINC000097163537 402113604 /nfs/dbraw/zinc/11/36/04/402113604.db2.gz NVPULYKGDSWTSO-KPWCQOOUSA-N 1 2 306.410 2.435 50 0 DEAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1c[nH]c3ccccc13)C2 ZINC000097198602 402115065 /nfs/dbraw/zinc/11/50/65/402115065.db2.gz JCZHHRKBTGXUMW-CQSZACIVSA-N 1 2 308.385 2.347 50 0 DEAALO Cc1csc([C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)CCO2)n1 ZINC000097199626 402115980 /nfs/dbraw/zinc/11/59/80/402115980.db2.gz LDMLJBVDMWWMHT-AWEZNQCLSA-N 1 2 317.414 2.124 50 0 DEAALO Cc1csc([C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)CCO2)n1 ZINC000097199626 402115983 /nfs/dbraw/zinc/11/59/83/402115983.db2.gz LDMLJBVDMWWMHT-AWEZNQCLSA-N 1 2 317.414 2.124 50 0 DEAALO O[C@H](CN1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000097201577 402116703 /nfs/dbraw/zinc/11/67/03/402116703.db2.gz IEYVVDNDYLAJQH-CYBMUJFWSA-N 1 2 311.307 2.451 50 0 DEAALO O=c1[nH]c2ccccc2nc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000097201382 402116873 /nfs/dbraw/zinc/11/68/73/402116873.db2.gz SUJAGZHHRFCPCP-SFHVURJKSA-N 1 2 321.380 2.497 50 0 DEAALO O=c1[nH]c2ccccc2nc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000097201382 402116876 /nfs/dbraw/zinc/11/68/76/402116876.db2.gz SUJAGZHHRFCPCP-SFHVURJKSA-N 1 2 321.380 2.497 50 0 DEAALO CCCCn1nc(-c2ccncc2)nc1C[N@@H+]1CCC[C@H](O)C1 ZINC000096137772 402061428 /nfs/dbraw/zinc/06/14/28/402061428.db2.gz SCAXIWHHHZYTFP-HNNXBMFYSA-N 1 2 315.421 2.097 50 0 DEAALO CCCCn1nc(-c2ccncc2)nc1C[N@H+]1CCC[C@H](O)C1 ZINC000096137772 402061430 /nfs/dbraw/zinc/06/14/30/402061430.db2.gz SCAXIWHHHZYTFP-HNNXBMFYSA-N 1 2 315.421 2.097 50 0 DEAALO CCn1nc(CCSC)nc1-c1csc(C[NH+](C)C)n1 ZINC000096140975 402062301 /nfs/dbraw/zinc/06/23/01/402062301.db2.gz UGGOKMJSHYVICD-UHFFFAOYSA-N 1 2 311.480 2.389 50 0 DEAALO Cn1cc(Cl)cc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000054481479 402067968 /nfs/dbraw/zinc/06/79/68/402067968.db2.gz YXSZWZFIDTWQAJ-UHFFFAOYSA-N 1 2 307.781 2.230 50 0 DEAALO Cc1cc(C)c(C2=CC(C(F)(F)C(F)F)=[NH+]CCN2)c(=O)[nH]1 ZINC000100168998 402139986 /nfs/dbraw/zinc/13/99/86/402139986.db2.gz INAZTKLQOKCKHV-UHFFFAOYSA-N 1 2 317.286 2.277 50 0 DEAALO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccnn2C)CC1 ZINC000103974088 402195903 /nfs/dbraw/zinc/19/59/03/402195903.db2.gz MEYICUPYOBYAHG-CYBMUJFWSA-N 1 2 316.380 2.078 50 0 DEAALO CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1[nH+]ccn1C ZINC000067434368 402158804 /nfs/dbraw/zinc/15/88/04/402158804.db2.gz NPJJBEHJBSJUOP-CQSZACIVSA-N 1 2 301.346 2.276 50 0 DEAALO COc1cccc(SCC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000067630361 402165906 /nfs/dbraw/zinc/16/59/06/402165906.db2.gz PTPPAMDUAUJYRO-UHFFFAOYSA-N 1 2 306.431 2.094 50 0 DEAALO CCCc1nc(C(=O)NCc2ccc[nH+]c2N(C)C)cs1 ZINC000067740541 402171248 /nfs/dbraw/zinc/17/12/48/402171248.db2.gz HUWCEEWZUTVBDF-UHFFFAOYSA-N 1 2 304.419 2.487 50 0 DEAALO COC[C@@H]([NH2+]Cc1nc2c(ccc(C)c2C)[nH]1)c1ccnn1C ZINC000067756090 402171834 /nfs/dbraw/zinc/17/18/34/402171834.db2.gz XUZJWYDTWAYMSQ-CQSZACIVSA-N 1 2 313.405 2.391 50 0 DEAALO CCCn1cc[nH+]c1CN1CCN(c2noc(C(C)C)n2)CC1 ZINC000067803531 402173206 /nfs/dbraw/zinc/17/32/06/402173206.db2.gz VQUHSOYCBNDZEW-UHFFFAOYSA-N 1 2 318.425 2.122 50 0 DEAALO Cc1cccc2c1CCN(c1cc(N3CCC[C@H]3CO)nc[nH+]1)C2 ZINC000107048259 402225047 /nfs/dbraw/zinc/22/50/47/402225047.db2.gz GZXNVQNCIUYSIK-INIZCTEOSA-N 1 2 324.428 2.309 50 0 DEAALO Cc1cccc2c1CCN(c1cc(N3CCC[C@H]3CO)[nH+]cn1)C2 ZINC000107048259 402225048 /nfs/dbraw/zinc/22/50/48/402225048.db2.gz 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CC1(C)Cc2cccc(C[N@@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)c2O1 ZINC000348781771 278397115 /nfs/dbraw/zinc/39/71/15/278397115.db2.gz DDBXUIOFOHXPRL-DZGCQCFKSA-N 1 2 321.442 2.019 50 0 DEAALO CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)c2O1 ZINC000348781771 278397118 /nfs/dbraw/zinc/39/71/18/278397118.db2.gz DDBXUIOFOHXPRL-DZGCQCFKSA-N 1 2 321.442 2.019 50 0 DEAALO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2nc(C3CC3)no2)CCN1 ZINC000071822581 280269921 /nfs/dbraw/zinc/26/99/21/280269921.db2.gz SLPHITQUEYYRQO-AWEZNQCLSA-N 1 2 312.373 2.010 50 0 DEAALO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2nc(C3CC3)no2)CCN1 ZINC000071822581 280269923 /nfs/dbraw/zinc/26/99/23/280269923.db2.gz SLPHITQUEYYRQO-AWEZNQCLSA-N 1 2 312.373 2.010 50 0 DEAALO CC(C)n1cnc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000253431365 333771806 /nfs/dbraw/zinc/77/18/06/333771806.db2.gz PJFKTFJJVFKJLS-UHFFFAOYSA-N 1 2 318.446 2.484 50 0 DEAALO Cc1c[nH]c([C@H](C)NC(=O)N2CCC3(CCOCC3)CC2)[nH+]1 ZINC000534658743 334314805 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C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC(C)(C)C1 ZINC000585130836 790326578 /nfs/dbraw/zinc/32/65/78/790326578.db2.gz CZJQGFRXIJQMKU-LSDHHAIUSA-N 1 2 324.465 2.014 50 0 DEAALO C[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC(C)(C)C1 ZINC000585130836 790326593 /nfs/dbraw/zinc/32/65/93/790326593.db2.gz CZJQGFRXIJQMKU-LSDHHAIUSA-N 1 2 324.465 2.014 50 0 DEAALO CCCCOc1ncccc1CNC(=O)CNc1cccc[nH+]1 ZINC000585121760 789707570 /nfs/dbraw/zinc/70/75/70/789707570.db2.gz YWHWFLUBEKDXGQ-UHFFFAOYSA-N 1 2 314.389 2.384 50 0 DEAALO Cc1ncsc1CCN(C)c1[nH+]c(C)c(C)cc1C(N)=O ZINC001529093822 1070848049 /nfs/dbraw/zinc/84/80/49/1070848049.db2.gz ACLDXIGSLUYUHY-UHFFFAOYSA-N 1 2 304.419 2.241 50 0 DEAALO C[C@H]1Cc2cc(NC(=O)C[N@H+](C)Cc3ccncc3)ccc2O1 ZINC000823715140 1090695326 /nfs/dbraw/zinc/69/53/26/1090695326.db2.gz SINIFIDZFIJSJD-ZDUSSCGKSA-N 1 2 311.385 2.476 50 0 DEAALO C[C@H]1Cc2cc(NC(=O)C[N@@H+](C)Cc3ccncc3)ccc2O1 ZINC000823715140 1090695333 /nfs/dbraw/zinc/69/53/33/1090695333.db2.gz SINIFIDZFIJSJD-ZDUSSCGKSA-N 1 2 311.385 2.476 50 0 DEAALO Cn1c2ccccc2nc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000096835612 185389247 /nfs/dbraw/zinc/38/92/47/185389247.db2.gz PGPKBIMCOMABAW-UHFFFAOYSA-N 1 2 321.428 2.286 50 0 DEAALO CC1(C)[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)[C@H]2CCO[C@@H]21 ZINC000095401101 185354289 /nfs/dbraw/zinc/35/42/89/185354289.db2.gz KMYUKQKUYYVOHG-SYQHCUMBSA-N 1 2 318.421 2.460 50 0 DEAALO C[C@]([NH2+]Cc1ccno1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000095408734 185356628 /nfs/dbraw/zinc/35/66/28/185356628.db2.gz QMROZHBZZROWET-CYBMUJFWSA-N 1 2 313.279 2.184 50 0 DEAALO Cc1cc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)[nH]n1 ZINC000084110422 539391782 /nfs/dbraw/zinc/39/17/82/539391782.db2.gz DOYARFVYAKFZEZ-CQSZACIVSA-N 1 2 301.394 2.101 50 0 DEAALO Cc1cc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)n[nH]1 ZINC000084110422 539391787 /nfs/dbraw/zinc/39/17/87/539391787.db2.gz DOYARFVYAKFZEZ-CQSZACIVSA-N 1 2 301.394 2.101 50 0 DEAALO Cc1cc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C)no3)C2)[nH]n1 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/nfs/dbraw/zinc/19/24/11/181192411.db2.gz LQALDRMCWZWTAE-ZDUSSCGKSA-N 1 2 315.398 2.181 50 0 DEAALO O=c1[nH]c(=S)n(C2CC2)c(O)c1[C@H]1[NH2+]CCc2ccccc21 ZINC000005025589 181192414 /nfs/dbraw/zinc/19/24/14/181192414.db2.gz LQALDRMCWZWTAE-ZDUSSCGKSA-N 1 2 315.398 2.181 50 0 DEAALO O=S(=O)(CCC1CC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000097103192 355701742 /nfs/dbraw/zinc/70/17/42/355701742.db2.gz UKUKOZHGZXAHDU-UHFFFAOYSA-N 1 2 324.446 2.061 50 0 DEAALO O=C([C@@H](O)c1ccccc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000390827950 356710473 /nfs/dbraw/zinc/71/04/73/356710473.db2.gz MJEWALSOVYSXKS-KRWDZBQOSA-N 1 2 312.369 2.185 50 0 DEAALO CC(C)n1cnc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000585139574 357337970 /nfs/dbraw/zinc/33/79/70/357337970.db2.gz MQPJHDBOILOADU-UHFFFAOYSA-N 1 2 322.434 2.326 50 0 DEAALO COc1cccc(N2CC[N@H+](Cc3nonc3C)CC2(C)C)c1 ZINC000670459766 540936996 /nfs/dbraw/zinc/93/69/96/540936996.db2.gz QPGNONDAWLZYHJ-UHFFFAOYSA-N 1 2 316.405 2.487 50 0 DEAALO COc1cccc(N2CC[N@@H+](Cc3nonc3C)CC2(C)C)c1 ZINC000670459766 540936997 /nfs/dbraw/zinc/93/69/97/540936997.db2.gz QPGNONDAWLZYHJ-UHFFFAOYSA-N 1 2 316.405 2.487 50 0 DEAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000091952274 193130997 /nfs/dbraw/zinc/13/09/97/193130997.db2.gz OMTMSOWCJAKJRF-INIZCTEOSA-N 1 2 313.401 2.415 50 0 DEAALO CC[N@H+](CC(=O)N(C)C)Cc1nc2ccccc2n1C(F)F ZINC000051792104 284378934 /nfs/dbraw/zinc/37/89/34/284378934.db2.gz ZYPLQHVDFYXUPW-UHFFFAOYSA-N 1 2 310.348 2.342 50 0 DEAALO CC[N@@H+](CC(=O)N(C)C)Cc1nc2ccccc2n1C(F)F ZINC000051792104 284378936 /nfs/dbraw/zinc/37/89/36/284378936.db2.gz ZYPLQHVDFYXUPW-UHFFFAOYSA-N 1 2 310.348 2.342 50 0 DEAALO CCN(CC(=O)NC(C)C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000069421188 284396377 /nfs/dbraw/zinc/39/63/77/284396377.db2.gz BACJRDJQTXPMAN-UHFFFAOYSA-N 1 2 314.433 2.278 50 0 DEAALO Fc1ccc(NC(=S)NCC[NH+]2CCOCC2)cc1Cl ZINC000019850905 182157005 /nfs/dbraw/zinc/15/70/05/182157005.db2.gz URIFFWBNGWPIGF-UHFFFAOYSA-N 1 2 317.817 2.098 50 0 DEAALO O=C(COc1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000019877303 182159952 /nfs/dbraw/zinc/15/99/52/182159952.db2.gz QWLAPDFDAVXFTQ-UHFFFAOYSA-N 1 2 300.358 2.003 50 0 DEAALO O=C(c1ccccc1)[C@@H](O)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000020390226 182213487 /nfs/dbraw/zinc/21/34/87/182213487.db2.gz NXSMGELJGPPCGV-HKUYNNGSSA-N 1 2 311.381 2.304 50 0 DEAALO COc1ccc(CN(C)c2[nH+]cnc3c2cnn3C)cc1F ZINC000022011060 182303557 /nfs/dbraw/zinc/30/35/57/182303557.db2.gz SAGKCQMNIIOWSL-UHFFFAOYSA-N 1 2 301.325 2.147 50 0 DEAALO C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000022914800 182341040 /nfs/dbraw/zinc/34/10/40/182341040.db2.gz VOWMCPXPUVWDJC-HNNXBMFYSA-N 1 2 313.401 2.424 50 0 DEAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000023280693 182355698 /nfs/dbraw/zinc/35/56/98/182355698.db2.gz DKRGHPIDDITZFS-OAHLLOKOSA-N 1 2 305.374 2.391 50 0 DEAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000023280693 182355699 /nfs/dbraw/zinc/35/56/99/182355699.db2.gz DKRGHPIDDITZFS-OAHLLOKOSA-N 1 2 305.374 2.391 50 0 DEAALO COc1ccc([C@H](NC(=O)c2cccnc2)c2[nH+]ccn2C)cc1 ZINC000024024923 182372549 /nfs/dbraw/zinc/37/25/49/182372549.db2.gz XVXAKVSKTFQLBM-INIZCTEOSA-N 1 2 322.368 2.343 50 0 DEAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(C2CC2)n[nH]1 ZINC000024752596 182389796 /nfs/dbraw/zinc/38/97/96/182389796.db2.gz HEOPSVUUJFBVLG-UHFFFAOYSA-N 1 2 321.384 2.462 50 0 DEAALO Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@H](O)C3)nc(=O)c2c1C ZINC000039486877 183019593 /nfs/dbraw/zinc/01/95/93/183019593.db2.gz FDIUTMSSSLFGIW-ONGXEEELSA-N 1 2 307.419 2.119 50 0 DEAALO Cc1sc2[nH]c([C@H](C)[N@H+]3CCC[C@H](O)C3)nc(=O)c2c1C ZINC000039486877 183019596 /nfs/dbraw/zinc/01/95/96/183019596.db2.gz FDIUTMSSSLFGIW-ONGXEEELSA-N 1 2 307.419 2.119 50 0 DEAALO CCOc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040526316 183092649 /nfs/dbraw/zinc/09/26/49/183092649.db2.gz DDTJRUOWUZIRHR-UHFFFAOYSA-N 1 2 321.421 2.318 50 0 DEAALO Cc1cc([C@H]2CCCN2C(=O)NCCCn2cc[nH+]c2)on1 ZINC000042897916 183317533 /nfs/dbraw/zinc/31/75/33/183317533.db2.gz JBNHPQREZLCWAE-CYBMUJFWSA-N 1 2 303.366 2.116 50 0 DEAALO Cc1cc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)n(C)n1 ZINC000043433814 183363427 /nfs/dbraw/zinc/36/34/27/183363427.db2.gz SQOFKPXWXZOLBL-UHFFFAOYSA-N 1 2 314.393 2.045 50 0 DEAALO O=C(C[C@@H]1C=CCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000105707544 194120858 /nfs/dbraw/zinc/12/08/58/194120858.db2.gz BMNZIIGZYXDKGC-AEFFLSMTSA-N 1 2 314.429 2.360 50 0 DEAALO O=C(C[C@@H]1C=CCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000105707544 194120861 /nfs/dbraw/zinc/12/08/61/194120861.db2.gz BMNZIIGZYXDKGC-AEFFLSMTSA-N 1 2 314.429 2.360 50 0 DEAALO CCSc1nc(CC(=O)NCCCn2cc[nH+]c2)cs1 ZINC000055088118 183962888 /nfs/dbraw/zinc/96/28/88/183962888.db2.gz PRGGTZYICTYGCP-UHFFFAOYSA-N 1 2 310.448 2.201 50 0 DEAALO CC(C)Cn1c[nH+]cc1CNC(=O)c1cccc(-n2cnnc2)c1 ZINC000065394398 184334325 /nfs/dbraw/zinc/33/43/25/184334325.db2.gz DAUKTMKRIPADLZ-UHFFFAOYSA-N 1 2 324.388 2.050 50 0 DEAALO COCCn1cc[nH+]c1[C@H]1CC(=O)Nc2cc(O)c(C)cc21 ZINC000065394900 184334352 /nfs/dbraw/zinc/33/43/52/184334352.db2.gz CSUYMWZNLVNCTA-LBPRGKRZSA-N 1 2 301.346 2.018 50 0 DEAALO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)nc(C)n1 ZINC000065407918 184339302 /nfs/dbraw/zinc/33/93/02/184339302.db2.gz NUGGAWFPBRYSKG-QGZVFWFLSA-N 1 2 321.384 2.461 50 0 DEAALO COc1c(F)cc(C[N@@H+]2CCC(=O)NC[C@H]2C)cc1Cl ZINC000065406770 184338613 /nfs/dbraw/zinc/33/86/13/184338613.db2.gz MTJWPVVBJZRJSS-SECBINFHSA-N 1 2 300.761 2.198 50 0 DEAALO COc1c(F)cc(C[N@H+]2CCC(=O)NC[C@H]2C)cc1Cl ZINC000065406770 184338616 /nfs/dbraw/zinc/33/86/16/184338616.db2.gz MTJWPVVBJZRJSS-SECBINFHSA-N 1 2 300.761 2.198 50 0 DEAALO O=C(c1cccc(F)c1F)N1CC[NH+](Cc2cccnc2)CC1 ZINC000065605734 184371448 /nfs/dbraw/zinc/37/14/48/184371448.db2.gz DPMNSFOXKLHTHT-UHFFFAOYSA-N 1 2 317.339 2.318 50 0 DEAALO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000102548364 285006550 /nfs/dbraw/zinc/00/65/50/285006550.db2.gz ZXVIBVSSCOVHMZ-STQMWFEESA-N 1 2 315.760 2.439 50 0 DEAALO O=C([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCC3)C2)[nH+]c1 ZINC000096132134 304246793 /nfs/dbraw/zinc/24/67/93/304246793.db2.gz OUFXGHDTFPRYHK-CQSZACIVSA-N 1 2 303.406 2.482 50 0 DEAALO COC1(c2noc([C@H](c3ccccc3)[NH+](C)C)n2)CCOCC1 ZINC000330819624 533030687 /nfs/dbraw/zinc/03/06/87/533030687.db2.gz GWFWKIXFVHQJAM-AWEZNQCLSA-N 1 2 317.389 2.373 50 0 DEAALO O=C(Cc1noc2ccccc12)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120814363 195243042 /nfs/dbraw/zinc/24/30/42/195243042.db2.gz LKHPUXNYDNCJEA-AWEZNQCLSA-N 1 2 323.352 2.445 50 0 DEAALO Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120923037 195265248 /nfs/dbraw/zinc/26/52/48/195265248.db2.gz CERIYMZTOSZNBZ-HNNXBMFYSA-N 1 2 314.389 2.034 50 0 DEAALO c1cc(CNc2ccc(N3CCOCC3)[nH+]c2)n(CC2CC2)n1 ZINC000685940191 542767889 /nfs/dbraw/zinc/76/78/89/542767889.db2.gz RZSXXBHVSWQTCO-UHFFFAOYSA-N 1 2 313.405 2.137 50 0 DEAALO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1Cl ZINC000222098085 292175366 /nfs/dbraw/zinc/17/53/66/292175366.db2.gz URCZZRJGRLVZQI-RYUDHWBXSA-N 1 2 316.854 2.362 50 0 DEAALO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1Cl ZINC000222098085 292175368 /nfs/dbraw/zinc/17/53/68/292175368.db2.gz URCZZRJGRLVZQI-RYUDHWBXSA-N 1 2 316.854 2.362 50 0 DEAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000006741433 401732077 /nfs/dbraw/zinc/73/20/77/401732077.db2.gz CWIWPGJICQIPKR-UHFFFAOYSA-N 1 2 310.401 2.151 50 0 DEAALO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000007588797 401741575 /nfs/dbraw/zinc/74/15/75/401741575.db2.gz LCPQEWYLZBFEDY-UHFFFAOYSA-N 1 2 300.358 2.388 50 0 DEAALO FC(F)(F)c1nnc(N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000000193906 401689449 /nfs/dbraw/zinc/68/94/49/401689449.db2.gz HCIJFQGJVAFWCF-UHFFFAOYSA-N 1 2 315.324 2.279 50 0 DEAALO Cc1cc(C)n(C2CN(Cc3[nH+]ccn3CC(F)(F)F)C2)n1 ZINC000071880701 401691589 /nfs/dbraw/zinc/69/15/89/401691589.db2.gz QISLZNWYZDPWDK-UHFFFAOYSA-N 1 2 313.327 2.316 50 0 DEAALO Cc1cccn2cc(CNC(=O)[C@H]3Cc4ccccc4O3)[nH+]c12 ZINC000071893403 401693568 /nfs/dbraw/zinc/69/35/68/401693568.db2.gz KMHVPLSQFOYFJG-MRXNPFEDSA-N 1 2 307.353 2.263 50 0 DEAALO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)NC[C@@H]1CCCO1 ZINC000071909233 401696272 /nfs/dbraw/zinc/69/62/72/401696272.db2.gz DZFGRSQQKOWREZ-JKSUJKDBSA-N 1 2 320.458 2.072 50 0 DEAALO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)NC[C@@H]1CCCO1 ZINC000071909233 401696276 /nfs/dbraw/zinc/69/62/76/401696276.db2.gz DZFGRSQQKOWREZ-JKSUJKDBSA-N 1 2 320.458 2.072 50 0 DEAALO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnnn2C2CC2)C12CCCC2 ZINC000071920962 401697352 /nfs/dbraw/zinc/69/73/52/401697352.db2.gz FGNMOJOMRMPEFW-UONOGXRCSA-N 1 2 305.426 2.178 50 0 DEAALO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnnn2C2CC2)C12CCCC2 ZINC000071920962 401697353 /nfs/dbraw/zinc/69/73/53/401697353.db2.gz FGNMOJOMRMPEFW-UONOGXRCSA-N 1 2 305.426 2.178 50 0 DEAALO CC[C@@H](C)c1cc(C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)on1 ZINC000072295321 401707781 /nfs/dbraw/zinc/70/77/81/401707781.db2.gz YDNBOHRFHTWAJB-PWSUYJOCSA-N 1 2 302.378 2.438 50 0 DEAALO S=C1N=NC(c2cccc(Cl)c2)N1CC[NH+]1CCOCC1 ZINC000013723810 401803715 /nfs/dbraw/zinc/80/37/15/401803715.db2.gz NPGQVGLQQHBZPR-UHFFFAOYSA-N 1 2 324.837 2.219 50 0 DEAALO Cc1nn(C)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000077287237 401808716 /nfs/dbraw/zinc/80/87/16/401808716.db2.gz IIQRSYZKIHYDBL-JTQLQIEISA-N 1 2 307.785 2.125 50 0 DEAALO Cc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000009050411 401758800 /nfs/dbraw/zinc/75/88/00/401758800.db2.gz VIGQSUCHFRWZEJ-JSGCOSHPSA-N 1 2 302.422 2.213 50 0 DEAALO Cc1nnc([C@H]2C[N@H+](Cc3ccccc3OC(C)C)CCO2)[nH]1 ZINC000076048036 401778449 /nfs/dbraw/zinc/77/84/49/401778449.db2.gz IMKKVLHMAYNBKY-MRXNPFEDSA-N 1 2 316.405 2.474 50 0 DEAALO Cc1nnc([C@H]2C[N@@H+](Cc3ccccc3OC(C)C)CCO2)[nH]1 ZINC000076048036 401778452 /nfs/dbraw/zinc/77/84/52/401778452.db2.gz IMKKVLHMAYNBKY-MRXNPFEDSA-N 1 2 316.405 2.474 50 0 DEAALO CCc1sc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1C ZINC000076053649 401779149 /nfs/dbraw/zinc/77/91/49/401779149.db2.gz KQMYRVGAFVGPFL-ZIAGYGMSSA-N 1 2 322.474 2.412 50 0 DEAALO Cc1nnc([C@@H]2C[N@H+](Cc3cccc(OC(C)C)c3)CCO2)[nH]1 ZINC000076048118 401779266 /nfs/dbraw/zinc/77/92/66/401779266.db2.gz ZJXDWAJHTPOCAJ-INIZCTEOSA-N 1 2 316.405 2.474 50 0 DEAALO Cc1nnc([C@@H]2C[N@@H+](Cc3cccc(OC(C)C)c3)CCO2)[nH]1 ZINC000076048118 401779269 /nfs/dbraw/zinc/77/92/69/401779269.db2.gz ZJXDWAJHTPOCAJ-INIZCTEOSA-N 1 2 316.405 2.474 50 0 DEAALO COc1cccc(C[C@H]2CN(Cc3[nH]c[nH+]c3C)CCO2)c1 ZINC000012316737 401783045 /nfs/dbraw/zinc/78/30/45/401783045.db2.gz QEWYVCNJYTVDCV-INIZCTEOSA-N 1 2 301.390 2.170 50 0 DEAALO CC[C@@H](Sc1nc(N)cc(C)[nH+]1)C(=O)Nc1cc(C)on1 ZINC000012543665 401787406 /nfs/dbraw/zinc/78/74/06/401787406.db2.gz NAPIYZKIIFFZMQ-SECBINFHSA-N 1 2 307.379 2.173 50 0 DEAALO CC(C)(CNC(=O)[C@H]1CCCc2ccccc21)[NH+]1CCOCC1 ZINC000012982274 401794815 /nfs/dbraw/zinc/79/48/15/401794815.db2.gz CBYNTQDXFAUSNY-KRWDZBQOSA-N 1 2 316.445 2.334 50 0 DEAALO Cc1nnsc1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077506043 401817992 /nfs/dbraw/zinc/81/79/92/401817992.db2.gz INNFQCZMGPRWOY-UHFFFAOYSA-N 1 2 322.459 2.256 50 0 DEAALO Cc1nnsc1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000077506043 401817995 /nfs/dbraw/zinc/81/79/95/401817995.db2.gz INNFQCZMGPRWOY-UHFFFAOYSA-N 1 2 322.459 2.256 50 0 DEAALO COc1ccc(OC)c(C[NH2+][C@@H](C(N)=O)c2ccccc2)c1 ZINC000025499855 401835220 /nfs/dbraw/zinc/83/52/20/401835220.db2.gz ZRZFWOZYNQDNQX-MRXNPFEDSA-N 1 2 300.358 2.020 50 0 DEAALO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC000026470045 401841021 /nfs/dbraw/zinc/84/10/21/401841021.db2.gz WDUTUJWGBLRTKS-HOTGVXAUSA-N 1 2 303.450 2.420 50 0 DEAALO Cc1csc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)n1 ZINC000026906690 401842824 /nfs/dbraw/zinc/84/28/24/401842824.db2.gz CNMNXSPVSKUFMP-UHFFFAOYSA-N 1 2 319.386 2.251 50 0 DEAALO Cc1csc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)n1 ZINC000026906690 401842826 /nfs/dbraw/zinc/84/28/26/401842826.db2.gz CNMNXSPVSKUFMP-UHFFFAOYSA-N 1 2 319.386 2.251 50 0 DEAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cnn(C)c2)c1 ZINC000027539446 401846059 /nfs/dbraw/zinc/84/60/59/401846059.db2.gz VBCLOTHPKKEXBI-CQSZACIVSA-N 1 2 300.406 2.496 50 0 DEAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000027539446 401846062 /nfs/dbraw/zinc/84/60/62/401846062.db2.gz VBCLOTHPKKEXBI-CQSZACIVSA-N 1 2 300.406 2.496 50 0 DEAALO Cc1ccc(-c2cc(C[N@@H+](C)[C@H]3CCS(=O)(=O)C3)on2)cc1 ZINC000029714672 401857897 /nfs/dbraw/zinc/85/78/97/401857897.db2.gz ZRVWVFDXNVWMHC-AWEZNQCLSA-N 1 2 320.414 2.269 50 0 DEAALO Cc1ccc(-c2cc(C[N@H+](C)[C@H]3CCS(=O)(=O)C3)on2)cc1 ZINC000029714672 401857900 /nfs/dbraw/zinc/85/79/00/401857900.db2.gz ZRVWVFDXNVWMHC-AWEZNQCLSA-N 1 2 320.414 2.269 50 0 DEAALO O=C(Cc1cccc(F)c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000029920774 401859719 /nfs/dbraw/zinc/85/97/19/401859719.db2.gz BUQJEIXOWXKAIW-UHFFFAOYSA-N 1 2 310.332 2.265 50 0 DEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccnc1)c1ccccc1F ZINC000029998893 401860414 /nfs/dbraw/zinc/86/04/14/401860414.db2.gz OXQMGZWNQDONTH-OAHLLOKOSA-N 1 2 310.332 2.474 50 0 DEAALO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000034668547 401893367 /nfs/dbraw/zinc/89/33/67/401893367.db2.gz FJZVFWVHJNOEFM-HNNXBMFYSA-N 1 2 319.449 2.074 50 0 DEAALO COC(=O)[C@@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000084636828 401908015 /nfs/dbraw/zinc/90/80/15/401908015.db2.gz RONVOMMFJKDBNO-JTQLQIEISA-N 1 2 305.309 2.149 50 0 DEAALO C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000044967649 401951755 /nfs/dbraw/zinc/95/17/55/401951755.db2.gz SBGKGMVMMKLFKY-CQSZACIVSA-N 1 2 318.421 2.002 50 0 DEAALO c1ccc(-n2nnnc2NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000045026494 401953068 /nfs/dbraw/zinc/95/30/68/401953068.db2.gz GHUQPRXQIRPXBP-UHFFFAOYSA-N 1 2 321.388 2.270 50 0 DEAALO C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000045547026 401958967 /nfs/dbraw/zinc/95/89/67/401958967.db2.gz XFWKSGDWSZXBCO-ZDUSSCGKSA-N 1 2 317.389 2.125 50 0 DEAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000046886251 401975020 /nfs/dbraw/zinc/97/50/20/401975020.db2.gz ZDLYQWJIHIWZQR-STQMWFEESA-N 1 2 322.474 2.323 50 0 DEAALO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000089938437 401975977 /nfs/dbraw/zinc/97/59/77/401975977.db2.gz AUZPAVIGZAHICV-VIFPVBQESA-N 1 2 324.475 2.200 50 0 DEAALO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000089938437 401975980 /nfs/dbraw/zinc/97/59/80/401975980.db2.gz AUZPAVIGZAHICV-VIFPVBQESA-N 1 2 324.475 2.200 50 0 DEAALO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000044584598 401945568 /nfs/dbraw/zinc/94/55/68/401945568.db2.gz JALXBGNFUHPNPW-GFCCVEGCSA-N 1 2 304.369 2.396 50 0 DEAALO COc1ccc(Br)c(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000089432595 401946653 /nfs/dbraw/zinc/94/66/53/401946653.db2.gz NSEORZXTABTKOT-UHFFFAOYSA-N 1 2 324.178 2.040 50 0 DEAALO COc1cc(N(C)Cc2cc(-c3ccccc3)no2)nc(N)[nH+]1 ZINC000095353703 402026856 /nfs/dbraw/zinc/02/68/56/402026856.db2.gz WQMCMRNBGCWRBL-UHFFFAOYSA-N 1 2 311.345 2.359 50 0 DEAALO COc1cc(N(C)Cc2cc(-c3ccccc3)no2)[nH+]c(N)n1 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