smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc([C@@H](CO)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000160914892 372287324 /nfs/dbraw/zinc/28/73/24/372287324.db2.gz SRXKXVYZPLVARZ-MRXNPFEDSA-N 1 2 297.402 3.370 20 70 CGIDLO CC[C@H](NC(=O)c1ccc(Cl)cc1C)c1[nH]cc[nH+]1 ZINC000218079890 376185546 /nfs/dbraw/zinc/18/55/46/376185546.db2.gz RGPZGWKDOWYZEX-LBPRGKRZSA-N 1 2 277.755 3.253 20 70 CGIDLO Cc1cc(NCCCOCC2CC2)nc(C(C)C)[nH+]1 ZINC000218649565 392998301 /nfs/dbraw/zinc/99/83/01/392998301.db2.gz QYYKJMPZPMSSQV-UHFFFAOYSA-N 1 2 263.385 3.137 20 70 CGIDLO CCn1cc[nH+]c1CN(Cc1ccccc1F)C1CC1 ZINC000160710261 321856325 /nfs/dbraw/zinc/85/63/25/321856325.db2.gz LNMMITZSBUFDDR-UHFFFAOYSA-N 1 2 273.355 3.207 20 70 CGIDLO CC(C)Sc1ccccc1NC(=O)Cn1cc[nH+]c1 ZINC000160904546 346173140 /nfs/dbraw/zinc/17/31/40/346173140.db2.gz NMKBNJDZVYNZNZ-UHFFFAOYSA-N 1 2 275.377 3.022 20 70 CGIDLO CCc1ccc([C@@H](C)[NH2+]Cc2cn3ccccc3n2)o1 ZINC000159442047 372144724 /nfs/dbraw/zinc/14/47/24/372144724.db2.gz BBXSKLQFICBPBC-GFCCVEGCSA-N 1 2 269.348 3.341 20 70 CGIDLO FC(F)(F)c1cc[nH+]c(N[C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000160332381 372239336 /nfs/dbraw/zinc/23/93/36/372239336.db2.gz AISKDABCEULTFS-NEPJUHHUSA-N 1 2 286.297 3.470 20 70 CGIDLO CCc1ccc(/C=C/C(=O)Nc2cc[nH+]cc2C)o1 ZINC000159873405 372191465 /nfs/dbraw/zinc/19/14/65/372191465.db2.gz SRLMJPQOPMPZLS-VOTSOKGWSA-N 1 2 256.305 3.197 20 70 CGIDLO COc1cc(NCc2cn3ccccc3[nH+]2)ccc1F ZINC000160033521 372205411 /nfs/dbraw/zinc/20/54/11/372205411.db2.gz PZTAHASFMFPYKY-UHFFFAOYSA-N 1 2 271.295 3.094 20 70 CGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000161120887 372302477 /nfs/dbraw/zinc/30/24/77/372302477.db2.gz JKRDSVAWJNUEBS-HNNXBMFYSA-N 1 2 297.402 3.239 20 70 CGIDLO FC(F)(F)c1cccnc1NCCCNc1cccc[nH+]1 ZINC000160765865 372273614 /nfs/dbraw/zinc/27/36/14/372273614.db2.gz XXSKUJDXPLDLFD-UHFFFAOYSA-N 1 2 296.296 3.410 20 70 CGIDLO C[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1Cl ZINC000160824352 372279805 /nfs/dbraw/zinc/27/98/05/372279805.db2.gz OZDIUHISFLXEIJ-UHFFFAOYSA-N 1 2 294.807 3.132 20 70 CGIDLO C[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1Cl ZINC000160824352 372279811 /nfs/dbraw/zinc/27/98/11/372279811.db2.gz OZDIUHISFLXEIJ-UHFFFAOYSA-N 1 2 294.807 3.132 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@@H](C)c2ccccc2F)n1 ZINC000160902807 372286964 /nfs/dbraw/zinc/28/69/64/372286964.db2.gz ZGOHYZYUAUQOAP-NSHDSACASA-N 1 2 289.354 3.077 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H](C)c2ccccc2F)n1 ZINC000160902807 372286972 /nfs/dbraw/zinc/28/69/72/372286972.db2.gz ZGOHYZYUAUQOAP-NSHDSACASA-N 1 2 289.354 3.077 20 70 CGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000161120887 372302471 /nfs/dbraw/zinc/30/24/71/372302471.db2.gz JKRDSVAWJNUEBS-HNNXBMFYSA-N 1 2 297.402 3.239 20 70 CGIDLO Cc1nc(C2([NH2+]Cc3ccc(F)cc3)CCCC2)no1 ZINC000161367014 346175233 /nfs/dbraw/zinc/17/52/33/346175233.db2.gz HWGISHPSGNSYGC-UHFFFAOYSA-N 1 2 275.327 3.076 20 70 CGIDLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC000159390083 372138161 /nfs/dbraw/zinc/13/81/61/372138161.db2.gz IWZPUMCTWVLJQG-NSHDSACASA-N 1 2 272.323 3.346 20 70 CGIDLO COc1ccc([NH2+][C@H](C)CCn2cccn2)c(C)c1 ZINC000159406092 372141929 /nfs/dbraw/zinc/14/19/29/372141929.db2.gz VCMNATSQBGPJQU-CYBMUJFWSA-N 1 2 259.353 3.091 20 70 CGIDLO CCOC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000159516743 372150512 /nfs/dbraw/zinc/15/05/12/372150512.db2.gz LXLTUNPCAZXOKP-SECBINFHSA-N 1 2 273.735 3.035 20 70 CGIDLO CCOC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000159516743 372150515 /nfs/dbraw/zinc/15/05/15/372150515.db2.gz LXLTUNPCAZXOKP-SECBINFHSA-N 1 2 273.735 3.035 20 70 CGIDLO CC[C@H](c1ccccc1)[N@H+](CCOC(C)C)CC(=O)OC ZINC000159677884 372167418 /nfs/dbraw/zinc/16/74/18/372167418.db2.gz VPQXPHTYUDBQHS-MRXNPFEDSA-N 1 2 293.407 3.038 20 70 CGIDLO CC[C@H](c1ccccc1)[N@@H+](CCOC(C)C)CC(=O)OC ZINC000159677884 372167423 /nfs/dbraw/zinc/16/74/23/372167423.db2.gz VPQXPHTYUDBQHS-MRXNPFEDSA-N 1 2 293.407 3.038 20 70 CGIDLO CS[C@@H](C)CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000160321950 372238069 /nfs/dbraw/zinc/23/80/69/372238069.db2.gz HQBVAKZXDOMKKN-NSHDSACASA-N 1 2 289.404 3.167 20 70 CGIDLO CCc1ccc([C@@H](CO)Nc2cc[nH+]c(C3CC3)n2)cc1 ZINC000160900772 372287923 /nfs/dbraw/zinc/28/79/23/372287923.db2.gz DDAZIOBAWIQRHS-OAHLLOKOSA-N 1 2 283.375 3.062 20 70 CGIDLO CCCn1c(C)nnc1Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000161226899 372310779 /nfs/dbraw/zinc/31/07/79/372310779.db2.gz GJTRJEBNDIEKOI-UHFFFAOYSA-N 1 2 283.379 3.011 20 70 CGIDLO Cc1cc(NC(=O)[C@@H](C)Cc2ccccc2F)cc[nH+]1 ZINC000159925543 321843317 /nfs/dbraw/zinc/84/33/17/321843317.db2.gz IGQDTQRDUSTENK-NSHDSACASA-N 1 2 272.323 3.346 20 70 CGIDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccnc1 ZINC000160731001 525494690 /nfs/dbraw/zinc/49/46/90/525494690.db2.gz DIHAHGFBAGDXRK-LBPRGKRZSA-N 1 2 296.399 3.451 20 70 CGIDLO CCCC[N@H+](CCOC)Cc1noc(C2CCCCC2)n1 ZINC000161219558 528438927 /nfs/dbraw/zinc/43/89/27/528438927.db2.gz QOARDERANQPAEE-UHFFFAOYSA-N 1 2 295.427 3.366 20 70 CGIDLO CCCC[N@@H+](CCOC)Cc1noc(C2CCCCC2)n1 ZINC000161219558 528438929 /nfs/dbraw/zinc/43/89/29/528438929.db2.gz QOARDERANQPAEE-UHFFFAOYSA-N 1 2 295.427 3.366 20 70 CGIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ncc(-c2ccccc2)o1 ZINC000161086331 372299914 /nfs/dbraw/zinc/29/99/14/372299914.db2.gz FHEZPBHYZNSQOC-UHFFFAOYSA-N 1 2 296.374 3.097 20 70 CGIDLO CC[N@H+](Cc1cnn(C)c1)Cc1ncc(-c2ccccc2)o1 ZINC000161086331 372299920 /nfs/dbraw/zinc/29/99/20/372299920.db2.gz FHEZPBHYZNSQOC-UHFFFAOYSA-N 1 2 296.374 3.097 20 70 CGIDLO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccoc1 ZINC000160754720 372273709 /nfs/dbraw/zinc/27/37/09/372273709.db2.gz SNVAPDMLFWNOJY-STQMWFEESA-N 1 2 282.347 3.272 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000160855295 372284215 /nfs/dbraw/zinc/28/42/15/372284215.db2.gz PHDOWHIIZDSNBB-ZDUSSCGKSA-N 1 2 289.404 3.143 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000160855295 372284219 /nfs/dbraw/zinc/28/42/19/372284219.db2.gz PHDOWHIIZDSNBB-ZDUSSCGKSA-N 1 2 289.404 3.143 20 70 CGIDLO Brc1cc2cccnc2c(Cn2cc[nH+]c2)c1 ZINC000161312839 321865749 /nfs/dbraw/zinc/86/57/49/321865749.db2.gz IVJNZKXETOSQMS-UHFFFAOYSA-N 1 2 288.148 3.242 20 70 CGIDLO Fc1ccc2c(c1)CC[N@@H+](Cc1nc3ccccc3[nH]1)C2 ZINC000161250160 526369304 /nfs/dbraw/zinc/36/93/04/526369304.db2.gz MMIFOBIZVAWHHF-UHFFFAOYSA-N 1 2 281.334 3.260 20 70 CGIDLO Fc1ccc2c(c1)CC[N@H+](Cc1nc3ccccc3[nH]1)C2 ZINC000161250160 526369307 /nfs/dbraw/zinc/36/93/07/526369307.db2.gz MMIFOBIZVAWHHF-UHFFFAOYSA-N 1 2 281.334 3.260 20 70 CGIDLO CC[C@@H](c1ccccc1)[N@H+](CCOC(C)C)CC(=O)OC ZINC000159677749 372168479 /nfs/dbraw/zinc/16/84/79/372168479.db2.gz VPQXPHTYUDBQHS-INIZCTEOSA-N 1 2 293.407 3.038 20 70 CGIDLO CC[C@@H](c1ccccc1)[N@@H+](CCOC(C)C)CC(=O)OC ZINC000159677749 372168487 /nfs/dbraw/zinc/16/84/87/372168487.db2.gz VPQXPHTYUDBQHS-INIZCTEOSA-N 1 2 293.407 3.038 20 70 CGIDLO CCC(=O)c1cccc(NC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC000160755055 372272729 /nfs/dbraw/zinc/27/27/29/372272729.db2.gz LYDKPUBPYRIDDS-OAHLLOKOSA-N 1 2 288.391 3.092 20 70 CGIDLO CCC(=O)c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC000160755055 372272737 /nfs/dbraw/zinc/27/27/37/372272737.db2.gz LYDKPUBPYRIDDS-OAHLLOKOSA-N 1 2 288.391 3.092 20 70 CGIDLO CC(C)n1cc[nH+]c1CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000160851127 372281770 /nfs/dbraw/zinc/28/17/70/372281770.db2.gz JPIHDFLJCVFRMT-DOTOQJQBSA-N 1 2 299.418 3.426 20 70 CGIDLO Clc1ccc([C@H]2C[N@H+](CCOCC3CC3)CCO2)cc1 ZINC000159424396 372142725 /nfs/dbraw/zinc/14/27/25/372142725.db2.gz ARBKLVZTFQXBFB-MRXNPFEDSA-N 1 2 295.810 3.140 20 70 CGIDLO Clc1ccc([C@H]2C[N@@H+](CCOCC3CC3)CCO2)cc1 ZINC000159424396 372142732 /nfs/dbraw/zinc/14/27/32/372142732.db2.gz ARBKLVZTFQXBFB-MRXNPFEDSA-N 1 2 295.810 3.140 20 70 CGIDLO C[N@@H+]1CCc2nc(NC(=O)C3(C)CCCCC3)sc2C1 ZINC000160934309 372289275 /nfs/dbraw/zinc/28/92/75/372289275.db2.gz QEPLWQXPHHSHGI-UHFFFAOYSA-N 1 2 293.436 3.040 20 70 CGIDLO C[N@H+]1CCc2nc(NC(=O)C3(C)CCCCC3)sc2C1 ZINC000160934309 372289281 /nfs/dbraw/zinc/28/92/81/372289281.db2.gz QEPLWQXPHHSHGI-UHFFFAOYSA-N 1 2 293.436 3.040 20 70 CGIDLO Cc1cc(N[C@H]2CCOC(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000160632332 372262361 /nfs/dbraw/zinc/26/23/61/372262361.db2.gz VJGTXKJSKVNUQD-LBPRGKRZSA-N 1 2 263.385 3.278 20 70 CGIDLO Cc1ccc(C[N@@H+](C)Cc2c(F)cccc2F)o1 ZINC000160875178 372285756 /nfs/dbraw/zinc/28/57/56/372285756.db2.gz RRZYEJHYUDCMRD-UHFFFAOYSA-N 1 2 251.276 3.498 20 70 CGIDLO Cc1ccc(C[N@H+](C)Cc2c(F)cccc2F)o1 ZINC000160875178 372285763 /nfs/dbraw/zinc/28/57/63/372285763.db2.gz RRZYEJHYUDCMRD-UHFFFAOYSA-N 1 2 251.276 3.498 20 70 CGIDLO CCn1ccnc1C[N@H+](Cc1cccs1)C1CC1 ZINC000160758397 529568349 /nfs/dbraw/zinc/56/83/49/529568349.db2.gz MGMSGEWGOHLCKY-UHFFFAOYSA-N 1 2 261.394 3.129 20 70 CGIDLO CCn1ccnc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000160758397 529568352 /nfs/dbraw/zinc/56/83/52/529568352.db2.gz MGMSGEWGOHLCKY-UHFFFAOYSA-N 1 2 261.394 3.129 20 70 CGIDLO CCn1cc[nH+]c1CN(Cc1cccs1)C1CC1 ZINC000160758397 529568356 /nfs/dbraw/zinc/56/83/56/529568356.db2.gz MGMSGEWGOHLCKY-UHFFFAOYSA-N 1 2 261.394 3.129 20 70 CGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000161101920 372302244 /nfs/dbraw/zinc/30/22/44/372302244.db2.gz HLEPMHRVLIGSOO-GFCCVEGCSA-N 1 2 288.395 3.345 20 70 CGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000161101920 372302245 /nfs/dbraw/zinc/30/22/45/372302245.db2.gz HLEPMHRVLIGSOO-GFCCVEGCSA-N 1 2 288.395 3.345 20 70 CGIDLO CCn1ccnc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000160747666 529567585 /nfs/dbraw/zinc/56/75/85/529567585.db2.gz MZHMBZBYOWQLFU-UHFFFAOYSA-N 1 2 255.365 3.068 20 70 CGIDLO CCn1ccnc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000160747666 529567590 /nfs/dbraw/zinc/56/75/90/529567590.db2.gz MZHMBZBYOWQLFU-UHFFFAOYSA-N 1 2 255.365 3.068 20 70 CGIDLO Cc1nc(C2([NH2+]Cc3cccc(C)c3)CCCC2)no1 ZINC000161369974 346175188 /nfs/dbraw/zinc/17/51/88/346175188.db2.gz AFYSWENSMWTEMP-UHFFFAOYSA-N 1 2 271.364 3.246 20 70 CGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000161074579 188506109 /nfs/dbraw/zinc/50/61/09/188506109.db2.gz WPDLYYRRKBEOEY-HNNXBMFYSA-N 1 2 297.402 3.239 20 70 CGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000161074579 188506111 /nfs/dbraw/zinc/50/61/11/188506111.db2.gz WPDLYYRRKBEOEY-HNNXBMFYSA-N 1 2 297.402 3.239 20 70 CGIDLO C[C@H](c1cccc(F)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159484116 372149340 /nfs/dbraw/zinc/14/93/40/372149340.db2.gz JVIFMZAOJBYVMD-OAHLLOKOSA-N 1 2 299.393 3.100 20 70 CGIDLO Cc1cccc(N(C)Cc2c[nH+]c3ccccn23)c1 ZINC000159611963 372160988 /nfs/dbraw/zinc/16/09/88/372160988.db2.gz GJGPGUPVGUAJNN-UHFFFAOYSA-N 1 2 251.333 3.279 20 70 CGIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnc(C(C)C)o2)n1 ZINC000160384975 372242183 /nfs/dbraw/zinc/24/21/83/372242183.db2.gz NBPRXHJXWUWPHY-CQSZACIVSA-N 1 2 286.379 3.234 20 70 CGIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(C(C)C)o2)n1 ZINC000160384975 372242194 /nfs/dbraw/zinc/24/21/94/372242194.db2.gz NBPRXHJXWUWPHY-CQSZACIVSA-N 1 2 286.379 3.234 20 70 CGIDLO CC[C@H](C)[C@H](C)[N@H+](Cc1nsc(N(C)C)n1)C1CC1 ZINC000159870450 372188455 /nfs/dbraw/zinc/18/84/55/372188455.db2.gz VHSBBIYXACVZFF-QWRGUYRKSA-N 1 2 282.457 3.003 20 70 CGIDLO CC[C@H](C)[C@H](C)[N@@H+](Cc1nsc(N(C)C)n1)C1CC1 ZINC000159870450 372188460 /nfs/dbraw/zinc/18/84/60/372188460.db2.gz VHSBBIYXACVZFF-QWRGUYRKSA-N 1 2 282.457 3.003 20 70 CGIDLO C[C@@H](c1ccco1)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160868896 372283581 /nfs/dbraw/zinc/28/35/81/372283581.db2.gz BTDLQJLZODMBMY-ZDUSSCGKSA-N 1 2 296.374 3.268 20 70 CGIDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160868896 372283587 /nfs/dbraw/zinc/28/35/87/372283587.db2.gz BTDLQJLZODMBMY-ZDUSSCGKSA-N 1 2 296.374 3.268 20 70 CGIDLO CCO[C@H](C)c1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000161484239 520477049 /nfs/dbraw/zinc/47/70/49/520477049.db2.gz HLDRZULPJQBMLV-LLVKDONJSA-N 1 2 286.466 3.180 20 70 CGIDLO CCO[C@H](C)c1nc(C[N@H+]2CCCSCC2)cs1 ZINC000161484239 520477063 /nfs/dbraw/zinc/47/70/63/520477063.db2.gz HLDRZULPJQBMLV-LLVKDONJSA-N 1 2 286.466 3.180 20 70 CGIDLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cs1 ZINC000159803581 372181099 /nfs/dbraw/zinc/18/10/99/372181099.db2.gz XHNSMMIPBSVALC-OAHLLOKOSA-N 1 2 273.405 3.492 20 70 CGIDLO Cc1nc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cs1 ZINC000159803581 372181103 /nfs/dbraw/zinc/18/11/03/372181103.db2.gz XHNSMMIPBSVALC-OAHLLOKOSA-N 1 2 273.405 3.492 20 70 CGIDLO CS[C@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000160565401 372258005 /nfs/dbraw/zinc/25/80/05/372258005.db2.gz NXXGMCNTSYODOA-SNVBAGLBSA-N 1 2 293.367 3.092 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000160549030 372258295 /nfs/dbraw/zinc/25/82/95/372258295.db2.gz KPAHWNFCLSDQOI-GFCCVEGCSA-N 1 2 289.404 3.143 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000160549030 372258303 /nfs/dbraw/zinc/25/83/03/372258303.db2.gz KPAHWNFCLSDQOI-GFCCVEGCSA-N 1 2 289.404 3.143 20 70 CGIDLO CCCCc1noc([C@@H](C)[N@H+](CC)Cc2ccccn2)n1 ZINC000161201039 372309406 /nfs/dbraw/zinc/30/94/06/372309406.db2.gz LRVUZQZBYJVXMO-CYBMUJFWSA-N 1 2 288.395 3.390 20 70 CGIDLO CCCCc1noc([C@@H](C)[N@@H+](CC)Cc2ccccn2)n1 ZINC000161201039 372309408 /nfs/dbraw/zinc/30/94/08/372309408.db2.gz LRVUZQZBYJVXMO-CYBMUJFWSA-N 1 2 288.395 3.390 20 70 CGIDLO OCC[N@H+](Cc1csc(C2CC2)n1)Cc1ccccc1 ZINC000161408601 372322245 /nfs/dbraw/zinc/32/22/45/372322245.db2.gz JAIDGIRQUMJVBF-UHFFFAOYSA-N 1 2 288.416 3.015 20 70 CGIDLO OCC[N@@H+](Cc1csc(C2CC2)n1)Cc1ccccc1 ZINC000161408601 372322254 /nfs/dbraw/zinc/32/22/54/372322254.db2.gz JAIDGIRQUMJVBF-UHFFFAOYSA-N 1 2 288.416 3.015 20 70 CGIDLO c1coc(C[N@H+](Cc2cccs2)Cc2cncnc2)c1 ZINC000160652621 542154666 /nfs/dbraw/zinc/15/46/66/542154666.db2.gz MURNYBLGPMGSQJ-UHFFFAOYSA-N 1 2 285.372 3.334 20 70 CGIDLO c1coc(C[N@@H+](Cc2cccs2)Cc2cncnc2)c1 ZINC000160652621 542154669 /nfs/dbraw/zinc/15/46/69/542154669.db2.gz MURNYBLGPMGSQJ-UHFFFAOYSA-N 1 2 285.372 3.334 20 70 CGIDLO CCOC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000217671271 270085320 /nfs/dbraw/zinc/08/53/20/270085320.db2.gz OHLDOFYGKKOKIC-KRWDZBQOSA-N 1 2 283.371 3.423 20 70 CGIDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000217671271 270085321 /nfs/dbraw/zinc/08/53/21/270085321.db2.gz OHLDOFYGKKOKIC-KRWDZBQOSA-N 1 2 283.371 3.423 20 70 CGIDLO C[C@H](SCC[NH+]1CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000159848371 321841709 /nfs/dbraw/zinc/84/17/09/321841709.db2.gz YHJQJLVLDULOAG-LBPRGKRZSA-N 1 2 298.452 3.099 20 70 CGIDLO Clc1ccccc1[C@@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000160559550 534653182 /nfs/dbraw/zinc/65/31/82/534653182.db2.gz SZUJJPMKKHOIBZ-INIZCTEOSA-N 1 2 295.810 3.140 20 70 CGIDLO Clc1ccccc1[C@@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000160559550 534653188 /nfs/dbraw/zinc/65/31/88/534653188.db2.gz SZUJJPMKKHOIBZ-INIZCTEOSA-N 1 2 295.810 3.140 20 70 CGIDLO Cc1cccn2cc(CNC(=O)CCC(C)(C)C)[nH+]c12 ZINC000159472353 372147655 /nfs/dbraw/zinc/14/76/55/372147655.db2.gz HYHULPMQUCVSFS-UHFFFAOYSA-N 1 2 273.380 3.085 20 70 CGIDLO COc1cccc(Cl)c1CC(=O)Nc1cc[nH+]cc1C ZINC000159875064 372191248 /nfs/dbraw/zinc/19/12/48/372191248.db2.gz OBWCQHPGXVYTJY-UHFFFAOYSA-N 1 2 290.750 3.233 20 70 CGIDLO CC[N@H+](Cc1nncn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000160840034 372281011 /nfs/dbraw/zinc/28/10/11/372281011.db2.gz CZXBYRYQJDNJNJ-LBPRGKRZSA-N 1 2 284.363 3.144 20 70 CGIDLO CC[N@@H+](Cc1nncn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000160840034 372281013 /nfs/dbraw/zinc/28/10/13/372281013.db2.gz CZXBYRYQJDNJNJ-LBPRGKRZSA-N 1 2 284.363 3.144 20 70 CGIDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc1Cl ZINC000161239628 372312392 /nfs/dbraw/zinc/31/23/92/372312392.db2.gz GBXKKSNSRBSGEB-NSHDSACASA-N 1 2 299.798 3.121 20 70 CGIDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc1Cl ZINC000161239628 372312398 /nfs/dbraw/zinc/31/23/98/372312398.db2.gz GBXKKSNSRBSGEB-NSHDSACASA-N 1 2 299.798 3.121 20 70 CGIDLO CCCC1(C[NH2+][C@H](C(=O)OC)c2ccccc2)CC1 ZINC000160773975 321857512 /nfs/dbraw/zinc/85/75/12/321857512.db2.gz ZQISVCHAOCNORN-AWEZNQCLSA-N 1 2 261.365 3.071 20 70 CGIDLO Cn1nccc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000160712764 527606945 /nfs/dbraw/zinc/60/69/45/527606945.db2.gz VNYHIYVKVMRBHL-CQSZACIVSA-N 1 2 298.415 3.367 20 70 CGIDLO Cn1nccc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000160712764 527606948 /nfs/dbraw/zinc/60/69/48/527606948.db2.gz VNYHIYVKVMRBHL-CQSZACIVSA-N 1 2 298.415 3.367 20 70 CGIDLO CCOC(=O)C[N@H+](Cc1ccccc1OC)C1CCCC1 ZINC000159776365 372179238 /nfs/dbraw/zinc/17/92/38/372179238.db2.gz XKJQEIZUWWXWOR-UHFFFAOYSA-N 1 2 291.391 3.003 20 70 CGIDLO CCOC(=O)C[N@@H+](Cc1ccccc1OC)C1CCCC1 ZINC000159776365 372179242 /nfs/dbraw/zinc/17/92/42/372179242.db2.gz XKJQEIZUWWXWOR-UHFFFAOYSA-N 1 2 291.391 3.003 20 70 CGIDLO CC[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1[nH]cc[nH+]1 ZINC000218078226 376184474 /nfs/dbraw/zinc/18/44/74/376184474.db2.gz LQUJIIZUVUYDCB-NSHDSACASA-N 1 2 281.718 3.083 20 70 CGIDLO CC[C@@H](O)CN(Cc1ccccc1)c1cc[nH+]c(C2CC2)n1 ZINC000161022566 321861354 /nfs/dbraw/zinc/86/13/54/321861354.db2.gz ICYPTDYRTNXWOW-MRXNPFEDSA-N 1 2 297.402 3.132 20 70 CGIDLO COC(=O)C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000159487033 372149564 /nfs/dbraw/zinc/14/95/64/372149564.db2.gz RTRJDKZVXXXTOC-JTQLQIEISA-N 1 2 267.756 3.038 20 70 CGIDLO COC(=O)C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000159487033 372149569 /nfs/dbraw/zinc/14/95/69/372149569.db2.gz RTRJDKZVXXXTOC-JTQLQIEISA-N 1 2 267.756 3.038 20 70 CGIDLO CC(C)Cn1cc[nH+]c1CNc1nc(C(C)(C)C)ns1 ZINC000159632226 372162995 /nfs/dbraw/zinc/16/29/95/372162995.db2.gz URSGFAKTQDCQNM-UHFFFAOYSA-N 1 2 293.440 3.300 20 70 CGIDLO Cn1ccc(C[N@H+](C)Cc2ccccc2Br)c1 ZINC000160381275 372242828 /nfs/dbraw/zinc/24/28/28/372242828.db2.gz OLVLEKTZRKKBHC-UHFFFAOYSA-N 1 2 293.208 3.420 20 70 CGIDLO Cn1ccc(C[N@@H+](C)Cc2ccccc2Br)c1 ZINC000160381275 372242834 /nfs/dbraw/zinc/24/28/34/372242834.db2.gz OLVLEKTZRKKBHC-UHFFFAOYSA-N 1 2 293.208 3.420 20 70 CGIDLO CCc1ccc([C@H](CO)Nc2cc[nH+]c(C3CC3)n2)cc1 ZINC000160900900 372286853 /nfs/dbraw/zinc/28/68/53/372286853.db2.gz DDAZIOBAWIQRHS-HNNXBMFYSA-N 1 2 283.375 3.062 20 70 CGIDLO C[C@@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CCO1 ZINC000217512098 376174880 /nfs/dbraw/zinc/17/48/80/376174880.db2.gz LMGXQLGGIBUSKC-SNVBAGLBSA-N 1 2 290.190 3.093 20 70 CGIDLO C[C@@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CCO1 ZINC000217512098 376174883 /nfs/dbraw/zinc/17/48/83/376174883.db2.gz LMGXQLGGIBUSKC-SNVBAGLBSA-N 1 2 290.190 3.093 20 70 CGIDLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000217894846 270085426 /nfs/dbraw/zinc/08/54/26/270085426.db2.gz UXJZTQZSGBFHTO-OCVGTWLNSA-N 1 2 275.392 3.315 20 70 CGIDLO CC[C@H](C)N(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000160439190 321851441 /nfs/dbraw/zinc/85/14/41/321851441.db2.gz PTZHHFUMHGMDJN-LBPRGKRZSA-N 1 2 256.353 3.082 20 70 CGIDLO Cc1cc(N[C@@H]2C=CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000160713003 321856092 /nfs/dbraw/zinc/85/60/92/321856092.db2.gz XSHYRGXMYXXASB-CQSZACIVSA-N 1 2 266.348 3.368 20 70 CGIDLO Cc1ccc([C@H]([NH2+]Cc2nncn2C)c2ccccc2)cc1 ZINC000160695543 321856321 /nfs/dbraw/zinc/85/63/21/321856321.db2.gz KWKYDQSVHUSUHX-GOSISDBHSA-N 1 2 292.386 3.003 20 70 CGIDLO CCCc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159711766 372171271 /nfs/dbraw/zinc/17/12/71/372171271.db2.gz QTLHVONHKIYATK-CQSZACIVSA-N 1 2 283.375 3.037 20 70 CGIDLO C[N@H+](Cc1ncc(-c2ccccc2)s1)[C@@H]1CCOC1 ZINC000160066898 372208179 /nfs/dbraw/zinc/20/81/79/372208179.db2.gz VZQYDMHDRZVBTM-CYBMUJFWSA-N 1 2 274.389 3.031 20 70 CGIDLO C[N@@H+](Cc1ncc(-c2ccccc2)s1)[C@@H]1CCOC1 ZINC000160066898 372208183 /nfs/dbraw/zinc/20/81/83/372208183.db2.gz VZQYDMHDRZVBTM-CYBMUJFWSA-N 1 2 274.389 3.031 20 70 CGIDLO Cc1cc(N[C@@H]2CCOC(C)(C)C2)nc(-c2cccnc2)[nH+]1 ZINC000160608317 372263007 /nfs/dbraw/zinc/26/30/07/372263007.db2.gz JROOCGBYCQIPTH-CQSZACIVSA-N 1 2 298.390 3.217 20 70 CGIDLO C[C@@H]1CC[C@@H](C)N1c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000161443330 372325618 /nfs/dbraw/zinc/32/56/18/372325618.db2.gz PQTKGBCTPMZGIN-CHWSQXEVSA-N 1 2 293.374 3.193 20 70 CGIDLO COC(=O)C1([NH2+]CCSc2ccccc2)CCCCC1 ZINC000217231709 392994828 /nfs/dbraw/zinc/99/48/28/392994828.db2.gz PQZAVPQUORLERM-UHFFFAOYSA-N 1 2 293.432 3.244 20 70 CGIDLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccccn1 ZINC000159671392 288157635 /nfs/dbraw/zinc/15/76/35/288157635.db2.gz BGXQIDBAWYXVSV-QGZVFWFLSA-N 1 2 298.386 3.208 20 70 CGIDLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccccn1 ZINC000159671392 288157637 /nfs/dbraw/zinc/15/76/37/288157637.db2.gz BGXQIDBAWYXVSV-QGZVFWFLSA-N 1 2 298.386 3.208 20 70 CGIDLO CCc1nnc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)[nH]1 ZINC000160503520 522356053 /nfs/dbraw/zinc/35/60/53/522356053.db2.gz KQIORIZXKQJNMQ-HNNXBMFYSA-N 1 2 294.349 3.132 20 70 CGIDLO CC[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nccn1C ZINC000160869733 346173012 /nfs/dbraw/zinc/17/30/12/346173012.db2.gz QZHITTZGZVOHGW-AWEZNQCLSA-N 1 2 261.344 3.142 20 70 CGIDLO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nccn1C ZINC000160869733 346173014 /nfs/dbraw/zinc/17/30/14/346173014.db2.gz QZHITTZGZVOHGW-AWEZNQCLSA-N 1 2 261.344 3.142 20 70 CGIDLO Cc1nc(C2([NH2+]Cc3ccc(F)c(F)c3)CCCC2)no1 ZINC000161370272 346175143 /nfs/dbraw/zinc/17/51/43/346175143.db2.gz HFKZABRSOMTEJU-UHFFFAOYSA-N 1 2 293.317 3.215 20 70 CGIDLO CC[C@H]([NH2+][C@@H](C)c1ccc(OC(C)C)cc1)C(=O)OC ZINC000159489273 372148880 /nfs/dbraw/zinc/14/88/80/372148880.db2.gz JIEDODWTHFIJPB-WFASDCNBSA-N 1 2 279.380 3.076 20 70 CGIDLO CC[N@H+](CCCNC(=O)C1=CCCC1)c1ccccc1 ZINC000159696939 372169626 /nfs/dbraw/zinc/16/96/26/372169626.db2.gz RFPPYIVDHFSOLH-UHFFFAOYSA-N 1 2 272.392 3.130 20 70 CGIDLO CC[N@@H+](CCCNC(=O)C1=CCCC1)c1ccccc1 ZINC000159696939 372169633 /nfs/dbraw/zinc/16/96/33/372169633.db2.gz RFPPYIVDHFSOLH-UHFFFAOYSA-N 1 2 272.392 3.130 20 70 CGIDLO CC[N@H+](CCOCC1CC1)Cc1c(F)cccc1F ZINC000160180416 372222962 /nfs/dbraw/zinc/22/29/62/372222962.db2.gz MQEQPWXOEKOUAV-UHFFFAOYSA-N 1 2 269.335 3.213 20 70 CGIDLO CC[N@@H+](CCOCC1CC1)Cc1c(F)cccc1F ZINC000160180416 372222970 /nfs/dbraw/zinc/22/29/70/372222970.db2.gz MQEQPWXOEKOUAV-UHFFFAOYSA-N 1 2 269.335 3.213 20 70 CGIDLO Cc1cc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)nc[nH+]1 ZINC000160531859 372255643 /nfs/dbraw/zinc/25/56/43/372255643.db2.gz JGJSDDAMKOCRGS-HUUCEWRRSA-N 1 2 269.348 3.117 20 70 CGIDLO Cc1cc(N[C@H]2CCOC(C)(C)C2)nc(-c2cccnc2)[nH+]1 ZINC000160608416 372262625 /nfs/dbraw/zinc/26/26/25/372262625.db2.gz JROOCGBYCQIPTH-AWEZNQCLSA-N 1 2 298.390 3.217 20 70 CGIDLO Cc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1CCC(C)C ZINC000159800758 321841020 /nfs/dbraw/zinc/84/10/20/321841020.db2.gz WSYIKYLNSCPVAZ-UHFFFAOYSA-N 1 2 286.379 3.193 20 70 CGIDLO COc1cccc(Cl)c1CC(=O)Nc1cc[nH+]c(C)c1 ZINC000160826705 526095944 /nfs/dbraw/zinc/09/59/44/526095944.db2.gz YYGUCASVHDVYQF-UHFFFAOYSA-N 1 2 290.750 3.233 20 70 CGIDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)c3cccs3)cn21 ZINC000159656634 372166934 /nfs/dbraw/zinc/16/69/34/372166934.db2.gz VPPNQLJUKLTSOR-LBPRGKRZSA-N 1 2 299.399 3.124 20 70 CGIDLO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1cn(-c2ccccc2)nn1 ZINC000160754989 372273289 /nfs/dbraw/zinc/27/32/89/372273289.db2.gz SNVAPDMLFWNOJY-QWHCGFSZSA-N 1 2 282.347 3.272 20 70 CGIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(C(C)C)s1 ZINC000161248864 372313239 /nfs/dbraw/zinc/31/32/39/372313239.db2.gz VZPWLRIAUXFKMJ-ZDUSSCGKSA-N 1 2 296.436 3.184 20 70 CGIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(C(C)C)s1 ZINC000161248864 372313243 /nfs/dbraw/zinc/31/32/43/372313243.db2.gz VZPWLRIAUXFKMJ-ZDUSSCGKSA-N 1 2 296.436 3.184 20 70 CGIDLO Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC000161430235 372322921 /nfs/dbraw/zinc/32/29/21/372322921.db2.gz CZXGJFRQFZOJGG-GFCCVEGCSA-N 1 2 265.401 3.117 20 70 CGIDLO CCn1cc[nH+]c1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000160810263 321857805 /nfs/dbraw/zinc/85/78/05/321857805.db2.gz FBGDTUFAJHNLPQ-UHFFFAOYSA-N 1 2 291.345 3.346 20 70 CGIDLO CC[C@@H](C)[C@H]([NH2+]Cc1coc2ccccc12)C(=O)OC ZINC000161083517 522384583 /nfs/dbraw/zinc/38/45/83/522384583.db2.gz AGRIRCMZMBGWMY-ABAIWWIYSA-N 1 2 275.348 3.110 20 70 CGIDLO COC(=O)C1([NH2+]Cc2cc(C)ccc2C)CCCCC1 ZINC000217096994 572381475 /nfs/dbraw/zinc/38/14/75/572381475.db2.gz WSBZSZZQRKNDGT-UHFFFAOYSA-N 1 2 275.392 3.269 20 70 CGIDLO Cc1nc(N[C@@H]2CCO[C@H](C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000160374826 372242598 /nfs/dbraw/zinc/24/25/98/372242598.db2.gz YMIRJTOGIVDHGB-CJNGLKHVSA-N 1 2 287.407 3.033 20 70 CGIDLO CCC[C@@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccc(F)cc1F ZINC000160504226 372253263 /nfs/dbraw/zinc/25/32/63/372253263.db2.gz QPFRYFOXEMGHFR-CYBMUJFWSA-N 1 2 294.349 3.276 20 70 CGIDLO c1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)n[nH]1 ZINC000160721765 372271874 /nfs/dbraw/zinc/27/18/74/372271874.db2.gz QPHSBBRWXGHKAX-CYBMUJFWSA-N 1 2 284.388 3.357 20 70 CGIDLO c1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)n[nH]1 ZINC000160721765 372271879 /nfs/dbraw/zinc/27/18/79/372271879.db2.gz QPHSBBRWXGHKAX-CYBMUJFWSA-N 1 2 284.388 3.357 20 70 CGIDLO C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1Cl ZINC000160820301 372279403 /nfs/dbraw/zinc/27/94/03/372279403.db2.gz CLSGBRVJPYNMGN-UHFFFAOYSA-N 1 2 265.740 3.057 20 70 CGIDLO C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1Cl ZINC000160820301 372279409 /nfs/dbraw/zinc/27/94/09/372279409.db2.gz CLSGBRVJPYNMGN-UHFFFAOYSA-N 1 2 265.740 3.057 20 70 CGIDLO CC[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)OC ZINC000159517135 392581192 /nfs/dbraw/zinc/58/11/92/392581192.db2.gz GDLOTIQARIQGBP-CABZTGNLSA-N 1 2 289.297 3.308 20 70 CGIDLO CC(C)CC(CC(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161410315 277346263 /nfs/dbraw/zinc/34/62/63/277346263.db2.gz VYNAEPMSIXOVGX-AWEZNQCLSA-N 1 2 291.439 3.023 20 70 CGIDLO CC(C)n1cc[nH+]c1CN(C)Cc1ccc(F)c(F)c1 ZINC000160752673 520028019 /nfs/dbraw/zinc/02/80/19/520028019.db2.gz QCUFEFORCLAQTF-UHFFFAOYSA-N 1 2 279.334 3.374 20 70 CGIDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3(C)CC3)n2)C1 ZINC000161363490 524236271 /nfs/dbraw/zinc/23/62/71/524236271.db2.gz WMMAJQXZNHDONL-LLVKDONJSA-N 1 2 293.436 3.114 20 70 CGIDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(C)CC3)n2)C1 ZINC000161363490 524236283 /nfs/dbraw/zinc/23/62/83/524236283.db2.gz WMMAJQXZNHDONL-LLVKDONJSA-N 1 2 293.436 3.114 20 70 CGIDLO CCCC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000160622598 528058853 /nfs/dbraw/zinc/05/88/53/528058853.db2.gz MANFQILHDFDXHU-UHFFFAOYSA-N 1 2 297.402 3.242 20 70 CGIDLO COc1cc(C)[nH+]c(CNc2ccc(F)c(OC)c2)c1 ZINC000160286674 372233699 /nfs/dbraw/zinc/23/36/99/372233699.db2.gz PGBRVUGMCCZLBI-UHFFFAOYSA-N 1 2 276.311 3.158 20 70 CGIDLO CCC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)c1ccccn1 ZINC000160327651 372239024 /nfs/dbraw/zinc/23/90/24/372239024.db2.gz REZHPULHJMKCTG-ZDUSSCGKSA-N 1 2 278.396 3.196 20 70 CGIDLO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)c1ccccn1 ZINC000160327651 372239028 /nfs/dbraw/zinc/23/90/28/372239028.db2.gz REZHPULHJMKCTG-ZDUSSCGKSA-N 1 2 278.396 3.196 20 70 CGIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000159977243 372199416 /nfs/dbraw/zinc/19/94/16/372199416.db2.gz WDJJGQOAOBLVTN-CQSZACIVSA-N 1 2 297.439 3.142 20 70 CGIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)[nH]1 ZINC000160468433 372249748 /nfs/dbraw/zinc/24/97/48/372249748.db2.gz MILYENOFVVEHSA-VIFPVBQESA-N 1 2 298.312 3.237 20 70 CGIDLO C[C@H]1COc2ccccc2N1Cc1c[nH+]c2ccccn12 ZINC000160868350 372283676 /nfs/dbraw/zinc/28/36/76/372283676.db2.gz NZDDZQWESMWWKB-ZDUSSCGKSA-N 1 2 279.343 3.122 20 70 CGIDLO CC[C@@H](NC(=O)c1ccc(Cl)c(F)c1)c1[nH]cc[nH+]1 ZINC000218078152 376185560 /nfs/dbraw/zinc/18/55/60/376185560.db2.gz LQUJIIZUVUYDCB-LLVKDONJSA-N 1 2 281.718 3.083 20 70 CGIDLO CCOC(=O)[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000218749711 270085638 /nfs/dbraw/zinc/08/56/38/270085638.db2.gz BVAUUQGYHPHTNH-CABCVRRESA-N 1 2 275.392 3.459 20 70 CGIDLO COc1cc[nH+]cc1NC(=O)c1ccc(F)c(SC)c1 ZINC000160452350 321851825 /nfs/dbraw/zinc/85/18/25/321851825.db2.gz LWEYXGWWNMGYQT-UHFFFAOYSA-N 1 2 292.335 3.204 20 70 CGIDLO C[N@@H+](Cc1csc(C2CC2)n1)C[C@@H]1CCCCO1 ZINC000161450334 523524281 /nfs/dbraw/zinc/52/42/81/523524281.db2.gz NRQSUWFBJAZSRV-ZDUSSCGKSA-N 1 2 266.410 3.021 20 70 CGIDLO C[N@H+](Cc1csc(C2CC2)n1)C[C@@H]1CCCCO1 ZINC000161450334 523524289 /nfs/dbraw/zinc/52/42/89/523524289.db2.gz NRQSUWFBJAZSRV-ZDUSSCGKSA-N 1 2 266.410 3.021 20 70 CGIDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccncc1 ZINC000160743024 525494663 /nfs/dbraw/zinc/49/46/63/525494663.db2.gz NODIAQGFDKEZRJ-LBPRGKRZSA-N 1 2 296.399 3.451 20 70 CGIDLO CCOCCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160561276 528660662 /nfs/dbraw/zinc/66/06/62/528660662.db2.gz SIABNSOERNFFIK-HNNXBMFYSA-N 1 2 283.799 3.140 20 70 CGIDLO CCOCCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000160561276 528660666 /nfs/dbraw/zinc/66/06/66/528660666.db2.gz SIABNSOERNFFIK-HNNXBMFYSA-N 1 2 283.799 3.140 20 70 CGIDLO CCCc1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160123780 372215906 /nfs/dbraw/zinc/21/59/06/372215906.db2.gz YFCOIGQPVWZXHT-CQSZACIVSA-N 1 2 286.379 3.063 20 70 CGIDLO CCCc1noc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160123780 372215910 /nfs/dbraw/zinc/21/59/10/372215910.db2.gz YFCOIGQPVWZXHT-CQSZACIVSA-N 1 2 286.379 3.063 20 70 CGIDLO CCC[C@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccc(F)cc1F ZINC000160504087 372254331 /nfs/dbraw/zinc/25/43/31/372254331.db2.gz QPFRYFOXEMGHFR-ZDUSSCGKSA-N 1 2 294.349 3.276 20 70 CGIDLO CC[N@H+](Cc1nccn1C)[C@H](C)c1ccc(F)cc1 ZINC000160807229 372277677 /nfs/dbraw/zinc/27/76/77/372277677.db2.gz OBBLAFXPXKTXDG-GFCCVEGCSA-N 1 2 261.344 3.142 20 70 CGIDLO CC[N@@H+](Cc1nccn1C)[C@H](C)c1ccc(F)cc1 ZINC000160807229 372277682 /nfs/dbraw/zinc/27/76/82/372277682.db2.gz OBBLAFXPXKTXDG-GFCCVEGCSA-N 1 2 261.344 3.142 20 70 CGIDLO C[C@H]1Sc2ccccc2N(Cc2[nH+]ccn2C)[C@@H]1C ZINC000161128827 372303749 /nfs/dbraw/zinc/30/37/49/372303749.db2.gz BWIALLCXSNBBIW-VXGBXAGGSA-N 1 2 273.405 3.309 20 70 CGIDLO CC(C)n1ccnc1C[N@H+](C)CCOc1ccccc1F ZINC000160721359 528604146 /nfs/dbraw/zinc/60/41/46/528604146.db2.gz ICXQAMQQYLUSHW-UHFFFAOYSA-N 1 2 291.370 3.114 20 70 CGIDLO CC(C)n1ccnc1C[N@@H+](C)CCOc1ccccc1F ZINC000160721359 528604151 /nfs/dbraw/zinc/60/41/51/528604151.db2.gz ICXQAMQQYLUSHW-UHFFFAOYSA-N 1 2 291.370 3.114 20 70 CGIDLO Cc1csc(Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000160642414 346171549 /nfs/dbraw/zinc/17/15/49/346171549.db2.gz QIFAMTDDHWXNQI-UHFFFAOYSA-N 1 2 269.373 3.287 20 70 CGIDLO CN(CCCn1cc[nH+]c1)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000160067001 372208609 /nfs/dbraw/zinc/20/86/09/372208609.db2.gz JGTQPLDFPACBOK-HNNXBMFYSA-N 1 2 291.439 3.338 20 70 CGIDLO CCN(Cc1c(C)[nH+]c2ccccn21)CC(F)(F)F ZINC000159863814 372188786 /nfs/dbraw/zinc/18/87/86/372188786.db2.gz IQTQYHHSJVEWFN-UHFFFAOYSA-N 1 2 271.286 3.027 20 70 CGIDLO Cc1cc(N[C@H]2CCO[C@H](c3ccccc3)C2)nc[nH+]1 ZINC000160531762 372256636 /nfs/dbraw/zinc/25/66/36/372256636.db2.gz JGJSDDAMKOCRGS-GJZGRUSLSA-N 1 2 269.348 3.117 20 70 CGIDLO CCC(CC)CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000160553140 372258029 /nfs/dbraw/zinc/25/80/29/372258029.db2.gz HWFSLESEVGCZDB-ZDUSSCGKSA-N 1 2 278.400 3.083 20 70 CGIDLO C[C@H]1CC[C@H](C)N1c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000161443205 372326125 /nfs/dbraw/zinc/32/61/25/372326125.db2.gz PQTKGBCTPMZGIN-STQMWFEESA-N 1 2 293.374 3.193 20 70 CGIDLO CCOc1ccccc1N(C)Cc1c[nH+]c2ccccn12 ZINC000159439811 321834930 /nfs/dbraw/zinc/83/49/30/321834930.db2.gz LXMDBKMGLXQCAY-UHFFFAOYSA-N 1 2 281.359 3.369 20 70 CGIDLO COCC[N@H+](Cc1nccn1C(C)C)Cc1ccccc1 ZINC000160685690 523777204 /nfs/dbraw/zinc/77/72/04/523777204.db2.gz CHGNYUDZDKVXQH-UHFFFAOYSA-N 1 2 287.407 3.113 20 70 CGIDLO COCC[N@@H+](Cc1nccn1C(C)C)Cc1ccccc1 ZINC000160685690 523777211 /nfs/dbraw/zinc/77/72/11/523777211.db2.gz CHGNYUDZDKVXQH-UHFFFAOYSA-N 1 2 287.407 3.113 20 70 CGIDLO C[C@H](CCn1cccn1)[NH2+]c1ccc2c(c1)CCCN2C ZINC000159431913 372143145 /nfs/dbraw/zinc/14/31/45/372143145.db2.gz QSDRVPZXTWSGOT-CQSZACIVSA-N 1 2 284.407 3.156 20 70 CGIDLO C[C@H](CCn1cccn1)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000159431913 372143151 /nfs/dbraw/zinc/14/31/51/372143151.db2.gz QSDRVPZXTWSGOT-CQSZACIVSA-N 1 2 284.407 3.156 20 70 CGIDLO C[C@H](CCn1cccn1)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000159431913 372143157 /nfs/dbraw/zinc/14/31/57/372143157.db2.gz QSDRVPZXTWSGOT-CQSZACIVSA-N 1 2 284.407 3.156 20 70 CGIDLO Cc1cc(N[C@@H]2CCOC(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000160632201 372262599 /nfs/dbraw/zinc/26/25/99/372262599.db2.gz VJGTXKJSKVNUQD-GFCCVEGCSA-N 1 2 263.385 3.278 20 70 CGIDLO CCCCC[N@H+](Cc1nncn1C)Cc1ccc(F)cc1 ZINC000160762869 372273215 /nfs/dbraw/zinc/27/32/15/372273215.db2.gz HGOKZLKFDIZMOW-UHFFFAOYSA-N 1 2 290.386 3.147 20 70 CGIDLO CCCCC[N@@H+](Cc1nncn1C)Cc1ccc(F)cc1 ZINC000160762869 372273223 /nfs/dbraw/zinc/27/32/23/372273223.db2.gz HGOKZLKFDIZMOW-UHFFFAOYSA-N 1 2 290.386 3.147 20 70 CGIDLO Cc1cc(N[C@H](CO)CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC000161430119 372323085 /nfs/dbraw/zinc/32/30/85/372323085.db2.gz CZXGJFRQFZOJGG-LBPRGKRZSA-N 1 2 265.401 3.117 20 70 CGIDLO CCOC(=O)[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000217684908 270085362 /nfs/dbraw/zinc/08/53/62/270085362.db2.gz BJQZFLITSUNSMM-AVVWSFFYSA-N 1 2 275.392 3.459 20 70 CGIDLO CC(C)(C)c1nsc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000159844776 278577236 /nfs/dbraw/zinc/57/72/36/278577236.db2.gz VXRCWWLLKMJHSJ-SNVBAGLBSA-N 1 2 291.424 3.290 20 70 CGIDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCOCC1CC1 ZINC000159647164 372165133 /nfs/dbraw/zinc/16/51/33/372165133.db2.gz KBFCXBMUSLHGOZ-NSHDSACASA-N 1 2 269.335 3.384 20 70 CGIDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCOCC1CC1 ZINC000159647164 372165138 /nfs/dbraw/zinc/16/51/38/372165138.db2.gz KBFCXBMUSLHGOZ-NSHDSACASA-N 1 2 269.335 3.384 20 70 CGIDLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000160134984 372216413 /nfs/dbraw/zinc/21/64/13/372216413.db2.gz IPNICZKGWMYLGC-CQSZACIVSA-N 1 2 257.337 3.024 20 70 CGIDLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000160134984 372216420 /nfs/dbraw/zinc/21/64/20/372216420.db2.gz IPNICZKGWMYLGC-CQSZACIVSA-N 1 2 257.337 3.024 20 70 CGIDLO CC[C@H]([NH2+][C@@H](C)c1nnc(C)o1)c1ccc(F)cc1F ZINC000161002042 372294294 /nfs/dbraw/zinc/29/42/94/372294294.db2.gz OARDBOKMIDSOEQ-SDBXPKJASA-N 1 2 281.306 3.458 20 70 CGIDLO C[N@H+](Cc1cnc2cnccn12)Cc1ccccc1Cl ZINC000160817251 372278917 /nfs/dbraw/zinc/27/89/17/372278917.db2.gz LBIRSEQDPSZTEU-UHFFFAOYSA-N 1 2 286.766 3.015 20 70 CGIDLO C[N@@H+](Cc1cnc2cnccn12)Cc1ccccc1Cl ZINC000160817251 372278923 /nfs/dbraw/zinc/27/89/23/372278923.db2.gz LBIRSEQDPSZTEU-UHFFFAOYSA-N 1 2 286.766 3.015 20 70 CGIDLO CC[N@H+](Cc1nncn1C)[C@H](C)c1cc2ccccc2o1 ZINC000160840159 372281133 /nfs/dbraw/zinc/28/11/33/372281133.db2.gz CZXBYRYQJDNJNJ-GFCCVEGCSA-N 1 2 284.363 3.144 20 70 CGIDLO CC[N@@H+](Cc1nncn1C)[C@H](C)c1cc2ccccc2o1 ZINC000160840159 372281137 /nfs/dbraw/zinc/28/11/37/372281137.db2.gz CZXBYRYQJDNJNJ-GFCCVEGCSA-N 1 2 284.363 3.144 20 70 CGIDLO Cn1cnnc1C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000161453187 372325192 /nfs/dbraw/zinc/32/51/92/372325192.db2.gz LQHDLROTEWHERB-UHFFFAOYSA-N 1 2 299.205 3.147 20 70 CGIDLO CC(C)CN(Cc1c[nH+]c2ccccn12)CC(F)(F)F ZINC000159864836 542151721 /nfs/dbraw/zinc/15/17/21/542151721.db2.gz ZYCWWNXIGYQUPO-UHFFFAOYSA-N 1 2 285.313 3.355 20 70 CGIDLO Cc1ccc(CCNc2nc(C(C)(C)C)ns2)c[nH+]1 ZINC000159426036 524336962 /nfs/dbraw/zinc/33/69/62/524336962.db2.gz WBIMZSVACOXOLK-UHFFFAOYSA-N 1 2 276.409 3.194 20 70 CGIDLO COc1cc(NCc2c[nH+]cn2C(C)C)ccc1F ZINC000160130923 372215890 /nfs/dbraw/zinc/21/58/90/372215890.db2.gz YAGKWSBBVCTNIE-UHFFFAOYSA-N 1 2 263.316 3.224 20 70 CGIDLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nnc(CC)[nH]1 ZINC000160324257 372237609 /nfs/dbraw/zinc/23/76/09/372237609.db2.gz IRTMYPMFLLDPID-ZDUSSCGKSA-N 1 2 288.395 3.007 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000160525876 372254389 /nfs/dbraw/zinc/25/43/89/372254389.db2.gz UABSTCUXPFVYBC-UHFFFAOYSA-N 1 2 291.782 3.030 20 70 CGIDLO Cc1cc(N[C@@H]2CCO[C@H](c3ccccc3)C2)nc[nH+]1 ZINC000160531668 372256034 /nfs/dbraw/zinc/25/60/34/372256034.db2.gz JGJSDDAMKOCRGS-CABCVRRESA-N 1 2 269.348 3.117 20 70 CGIDLO CC[N@H+](Cc1nncn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000160824893 372279371 /nfs/dbraw/zinc/27/93/71/372279371.db2.gz CTGUFAQNRONVFK-UHFFFAOYSA-N 1 2 299.205 3.144 20 70 CGIDLO CC[N@@H+](Cc1nncn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000160824893 372279377 /nfs/dbraw/zinc/27/93/77/372279377.db2.gz CTGUFAQNRONVFK-UHFFFAOYSA-N 1 2 299.205 3.144 20 70 CGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)c1nc(C(C)C)no1 ZINC000161182003 372307472 /nfs/dbraw/zinc/30/74/72/372307472.db2.gz ZJOJQHSBWIOXOB-LBPRGKRZSA-N 1 2 274.368 3.171 20 70 CGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1nc(C(C)C)no1 ZINC000161182003 372307476 /nfs/dbraw/zinc/30/74/76/372307476.db2.gz ZJOJQHSBWIOXOB-LBPRGKRZSA-N 1 2 274.368 3.171 20 70 CGIDLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccccn1 ZINC000159671254 392581049 /nfs/dbraw/zinc/58/10/49/392581049.db2.gz BGXQIDBAWYXVSV-KRWDZBQOSA-N 1 2 298.386 3.208 20 70 CGIDLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccccn1 ZINC000159671254 392581054 /nfs/dbraw/zinc/58/10/54/392581054.db2.gz BGXQIDBAWYXVSV-KRWDZBQOSA-N 1 2 298.386 3.208 20 70 CGIDLO C[C@@H](SCC[NH+]1CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000159848488 321841816 /nfs/dbraw/zinc/84/18/16/321841816.db2.gz YHJQJLVLDULOAG-GFCCVEGCSA-N 1 2 298.452 3.099 20 70 CGIDLO CC[C@@H](C)[C@@H]([NH2+]Cc1coc2ccccc12)C(=O)OC ZINC000161083785 522313719 /nfs/dbraw/zinc/31/37/19/522313719.db2.gz AGRIRCMZMBGWMY-IAQYHMDHSA-N 1 2 275.348 3.110 20 70 CGIDLO CCc1nnc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)[nH]1 ZINC000160503392 522349298 /nfs/dbraw/zinc/34/92/98/522349298.db2.gz KQIORIZXKQJNMQ-OAHLLOKOSA-N 1 2 294.349 3.132 20 70 CGIDLO C[C@@H](CCn1cccn1)[NH2+]c1ccc2c(c1)CCCN2C ZINC000159431779 372142567 /nfs/dbraw/zinc/14/25/67/372142567.db2.gz QSDRVPZXTWSGOT-AWEZNQCLSA-N 1 2 284.407 3.156 20 70 CGIDLO C[C@@H](CCn1cccn1)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000159431779 372142569 /nfs/dbraw/zinc/14/25/69/372142569.db2.gz QSDRVPZXTWSGOT-AWEZNQCLSA-N 1 2 284.407 3.156 20 70 CGIDLO C[C@@H](CCn1cccn1)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000159431779 372142571 /nfs/dbraw/zinc/14/25/71/372142571.db2.gz QSDRVPZXTWSGOT-AWEZNQCLSA-N 1 2 284.407 3.156 20 70 CGIDLO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000160099278 372213265 /nfs/dbraw/zinc/21/32/65/372213265.db2.gz VEYFMWKZCHZLSO-GOSISDBHSA-N 1 2 299.370 3.234 20 70 CGIDLO Cc1ccc(C(=O)CC[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000160099278 372213274 /nfs/dbraw/zinc/21/32/74/372213274.db2.gz VEYFMWKZCHZLSO-GOSISDBHSA-N 1 2 299.370 3.234 20 70 CGIDLO CC(=O)NC1CCC([NH2+]c2ccc(OC(C)C)cc2)CC1 ZINC000161084229 372300415 /nfs/dbraw/zinc/30/04/15/372300415.db2.gz KLWKULPBQRISFP-UHFFFAOYSA-N 1 2 290.407 3.333 20 70 CGIDLO CC(C)c1ccc(C[N@H+](Cc2nncn2C)C2CC2)cc1 ZINC000160715541 372270050 /nfs/dbraw/zinc/27/00/50/372270050.db2.gz OQTFRRBIKJKQNI-UHFFFAOYSA-N 1 2 284.407 3.103 20 70 CGIDLO CC(C)c1ccc(C[N@@H+](Cc2nncn2C)C2CC2)cc1 ZINC000160715541 372270054 /nfs/dbraw/zinc/27/00/54/372270054.db2.gz OQTFRRBIKJKQNI-UHFFFAOYSA-N 1 2 284.407 3.103 20 70 CGIDLO Cc1cccc2[nH+]c(CNC(=O)C3CCC(C)(C)CC3)cn21 ZINC000160218261 321848830 /nfs/dbraw/zinc/84/88/30/321848830.db2.gz SLTLGHLHVBEBTC-UHFFFAOYSA-N 1 2 299.418 3.475 20 70 CGIDLO CCc1ccc([C@H](CO)Nc2cc[nH+]c(C(C)C)n2)cc1 ZINC000160908687 321860113 /nfs/dbraw/zinc/86/01/13/321860113.db2.gz SQNUOECSFHEBKM-HNNXBMFYSA-N 1 2 285.391 3.308 20 70 CGIDLO Cc1cc([NH2+][C@@H](C)CCn2cccn2)ccc1N(C)C ZINC000159416763 372140710 /nfs/dbraw/zinc/14/07/10/372140710.db2.gz MOOCSPIEJLILGC-AWEZNQCLSA-N 1 2 272.396 3.148 20 70 CGIDLO Cc1cc(N[C@@H](C)CCn2cccn2)ccc1[NH+](C)C ZINC000159416763 372140713 /nfs/dbraw/zinc/14/07/13/372140713.db2.gz MOOCSPIEJLILGC-AWEZNQCLSA-N 1 2 272.396 3.148 20 70 CGIDLO Cc1cc(NC(=O)[C@H](C)Cc2ccccc2F)cc[nH+]1 ZINC000159925687 372194555 /nfs/dbraw/zinc/19/45/55/372194555.db2.gz IGQDTQRDUSTENK-LLVKDONJSA-N 1 2 272.323 3.346 20 70 CGIDLO C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161193352 372309710 /nfs/dbraw/zinc/30/97/10/372309710.db2.gz LJGSVYBAGJBDMD-OAHLLOKOSA-N 1 2 299.393 3.100 20 70 CGIDLO CCC[C@H]([NH2+][C@H](C)c1cccc(OC)c1)C(=O)OCC ZINC000216632936 287628102 /nfs/dbraw/zinc/62/81/02/287628102.db2.gz PWISGUXYQLSVAG-DOMZBBRYSA-N 1 2 279.380 3.078 20 70 CGIDLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccccc2C)n1 ZINC000159699367 372170528 /nfs/dbraw/zinc/17/05/28/372170528.db2.gz DZYOXCVHYKXOMX-OLZOCXBDSA-N 1 2 289.379 3.326 20 70 CGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cccc(F)n1 ZINC000159728199 372174506 /nfs/dbraw/zinc/17/45/06/372174506.db2.gz ZDEBLCONSMZUMJ-UHFFFAOYSA-N 1 2 296.349 3.102 20 70 CGIDLO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nsc(N(C)C)n1)C1CC1 ZINC000159870062 372189198 /nfs/dbraw/zinc/18/91/98/372189198.db2.gz VHSBBIYXACVZFF-GHMZBOCLSA-N 1 2 282.457 3.003 20 70 CGIDLO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1nsc(N(C)C)n1)C1CC1 ZINC000159870062 372189205 /nfs/dbraw/zinc/18/92/05/372189205.db2.gz VHSBBIYXACVZFF-GHMZBOCLSA-N 1 2 282.457 3.003 20 70 CGIDLO CC1(C)C[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160514876 372253539 /nfs/dbraw/zinc/25/35/39/372253539.db2.gz NCWFADIZSVJEFL-LBPRGKRZSA-N 1 2 293.436 3.114 20 70 CGIDLO c1sc(C2CC2)nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000161257314 372313023 /nfs/dbraw/zinc/31/30/23/372313023.db2.gz MFRHUAHVRQLTSS-UHFFFAOYSA-N 1 2 299.443 3.343 20 70 CGIDLO CC[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)OC ZINC000159517527 280196220 /nfs/dbraw/zinc/19/62/20/280196220.db2.gz GDLOTIQARIQGBP-BXKDBHETSA-N 1 2 289.297 3.308 20 70 CGIDLO C[N@@H+](Cc1csc(C2CC2)n1)C[C@H]1CCCCO1 ZINC000161450470 523525817 /nfs/dbraw/zinc/52/58/17/523525817.db2.gz NRQSUWFBJAZSRV-CYBMUJFWSA-N 1 2 266.410 3.021 20 70 CGIDLO C[N@H+](Cc1csc(C2CC2)n1)C[C@H]1CCCCO1 ZINC000161450470 523525822 /nfs/dbraw/zinc/52/58/22/523525822.db2.gz NRQSUWFBJAZSRV-CYBMUJFWSA-N 1 2 266.410 3.021 20 70 CGIDLO CC[C@H]([NH2+][C@@H](C)c1cccc(OC(C)C)c1)C(=O)OC ZINC000159503936 372151052 /nfs/dbraw/zinc/15/10/52/372151052.db2.gz FZYYFGYYBAVXAR-WFASDCNBSA-N 1 2 279.380 3.076 20 70 CGIDLO Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000160375788 372242901 /nfs/dbraw/zinc/24/29/01/372242901.db2.gz VUYDZKHVYJHSLU-UONOGXRCSA-N 1 2 275.396 3.278 20 70 CGIDLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)no1 ZINC000159886352 372190735 /nfs/dbraw/zinc/19/07/35/372190735.db2.gz PKVRJONTWWTADK-HNNXBMFYSA-N 1 2 257.337 3.024 20 70 CGIDLO Cc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)no1 ZINC000159886352 372190739 /nfs/dbraw/zinc/19/07/39/372190739.db2.gz PKVRJONTWWTADK-HNNXBMFYSA-N 1 2 257.337 3.024 20 70 CGIDLO Cc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000160375658 372243144 /nfs/dbraw/zinc/24/31/44/372243144.db2.gz VUYDZKHVYJHSLU-ZIAGYGMSSA-N 1 2 275.396 3.278 20 70 CGIDLO CCc1ccc([C@@H](CO)Nc2cc[nH+]c(C(C)C)n2)cc1 ZINC000160908546 372287497 /nfs/dbraw/zinc/28/74/97/372287497.db2.gz SQNUOECSFHEBKM-OAHLLOKOSA-N 1 2 285.391 3.308 20 70 CGIDLO Cn1nccc1C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000161139688 372304120 /nfs/dbraw/zinc/30/41/20/372304120.db2.gz IAMIDSPPETXZHV-UHFFFAOYSA-N 1 2 284.190 3.359 20 70 CGIDLO Cn1nccc1C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000161139688 372304125 /nfs/dbraw/zinc/30/41/25/372304125.db2.gz IAMIDSPPETXZHV-UHFFFAOYSA-N 1 2 284.190 3.359 20 70 CGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)c1nc(C(C)C)no1 ZINC000161182157 372307295 /nfs/dbraw/zinc/30/72/95/372307295.db2.gz ZJOJQHSBWIOXOB-GFCCVEGCSA-N 1 2 274.368 3.171 20 70 CGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)c1nc(C(C)C)no1 ZINC000161182157 372307297 /nfs/dbraw/zinc/30/72/97/372307297.db2.gz ZJOJQHSBWIOXOB-GFCCVEGCSA-N 1 2 274.368 3.171 20 70 CGIDLO C[N@H+](Cc1cncnc1)Cc1cccc(Cl)c1Cl ZINC000160749399 542156122 /nfs/dbraw/zinc/15/61/22/542156122.db2.gz RALPVRBRHJFHFR-UHFFFAOYSA-N 1 2 282.174 3.415 20 70 CGIDLO C[N@@H+](Cc1cncnc1)Cc1cccc(Cl)c1Cl ZINC000160749399 542156124 /nfs/dbraw/zinc/15/61/24/542156124.db2.gz RALPVRBRHJFHFR-UHFFFAOYSA-N 1 2 282.174 3.415 20 70 CGIDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccoc1 ZINC000160754865 321856607 /nfs/dbraw/zinc/85/66/07/321856607.db2.gz SNVAPDMLFWNOJY-OLZOCXBDSA-N 1 2 282.347 3.272 20 70 CGIDLO CC(C)c1nc(N(C)[C@@H](CCO)c2ccccc2)cc[nH+]1 ZINC000160381688 372242968 /nfs/dbraw/zinc/24/29/68/372242968.db2.gz BRVMONZXDUMUDR-HNNXBMFYSA-N 1 2 285.391 3.160 20 70 CGIDLO C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)CCS1 ZINC000160582434 372259320 /nfs/dbraw/zinc/25/93/20/372259320.db2.gz JZSCEUKDLNUSLZ-LLVKDONJSA-N 1 2 292.379 3.418 20 70 CGIDLO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)CCS1 ZINC000160582434 372259324 /nfs/dbraw/zinc/25/93/24/372259324.db2.gz JZSCEUKDLNUSLZ-LLVKDONJSA-N 1 2 292.379 3.418 20 70 CGIDLO CCNC(=O)C(C)(C)CNc1[nH+]c2ccccc2cc1C ZINC000161339274 372317218 /nfs/dbraw/zinc/31/72/18/372317218.db2.gz ORTFASDXWBIEOX-UHFFFAOYSA-N 1 2 285.391 3.117 20 70 CGIDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCCC(C)(C)C1 ZINC000161424329 372324006 /nfs/dbraw/zinc/32/40/06/372324006.db2.gz PZRHUVXEHFZNGN-UHFFFAOYSA-N 1 2 287.411 3.208 20 70 CGIDLO CCCn1nccc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000160011691 542152731 /nfs/dbraw/zinc/15/27/31/542152731.db2.gz JZFKKQVFUPEUNV-UHFFFAOYSA-N 1 2 281.363 3.091 20 70 CGIDLO CC(C)Cn1cc[nH+]c1CNC(=O)C1CCC(C)(C)CC1 ZINC000160664824 321855597 /nfs/dbraw/zinc/85/55/97/321855597.db2.gz IGYCFLUIZQNANQ-UHFFFAOYSA-N 1 2 291.439 3.372 20 70 CGIDLO CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000160817084 321858332 /nfs/dbraw/zinc/85/83/32/321858332.db2.gz WMDSCLZERYISCR-HOCLYGCPSA-N 1 2 269.348 3.247 20 70 CGIDLO COC(=O)C[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000159487153 372149102 /nfs/dbraw/zinc/14/91/02/372149102.db2.gz RTRJDKZVXXXTOC-SNVBAGLBSA-N 1 2 267.756 3.038 20 70 CGIDLO COC(=O)C[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000159487153 372149107 /nfs/dbraw/zinc/14/91/07/372149107.db2.gz RTRJDKZVXXXTOC-SNVBAGLBSA-N 1 2 267.756 3.038 20 70 CGIDLO CCc1nnc(C[N@H+]2CC=C(c3ccc(CC)cc3)CC2)[nH]1 ZINC000160241851 372228965 /nfs/dbraw/zinc/22/89/65/372228965.db2.gz LJHZZLZTGGHVAY-UHFFFAOYSA-N 1 2 296.418 3.219 20 70 CGIDLO CCc1nnc(C[N@@H+]2CC=C(c3ccc(CC)cc3)CC2)[nH]1 ZINC000160241851 372228969 /nfs/dbraw/zinc/22/89/69/372228969.db2.gz LJHZZLZTGGHVAY-UHFFFAOYSA-N 1 2 296.418 3.219 20 70 CGIDLO CCC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)c1ccccn1 ZINC000160327800 372239087 /nfs/dbraw/zinc/23/90/87/372239087.db2.gz REZHPULHJMKCTG-CYBMUJFWSA-N 1 2 278.396 3.196 20 70 CGIDLO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)c1ccccn1 ZINC000160327800 372239091 /nfs/dbraw/zinc/23/90/91/372239091.db2.gz REZHPULHJMKCTG-CYBMUJFWSA-N 1 2 278.396 3.196 20 70 CGIDLO c1cn(CCSc2ccnc3ccccc32)c[nH+]1 ZINC000160126186 321846666 /nfs/dbraw/zinc/84/66/66/321846666.db2.gz VIORFIAMFCYGFQ-UHFFFAOYSA-N 1 2 255.346 3.224 20 70 CGIDLO CC(C)n1ccnc1C[N@H+](C)Cc1cccc(F)c1 ZINC000160686122 520025839 /nfs/dbraw/zinc/02/58/39/520025839.db2.gz JJVDUGDLTDIZOM-UHFFFAOYSA-N 1 2 261.344 3.235 20 70 CGIDLO CC(C)n1ccnc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160686122 520025850 /nfs/dbraw/zinc/02/58/50/520025850.db2.gz JJVDUGDLTDIZOM-UHFFFAOYSA-N 1 2 261.344 3.235 20 70 CGIDLO CC(C)n1cc[nH+]c1CN(C)Cc1cccc(F)c1 ZINC000160686122 520025857 /nfs/dbraw/zinc/02/58/57/520025857.db2.gz JJVDUGDLTDIZOM-UHFFFAOYSA-N 1 2 261.344 3.235 20 70 CGIDLO Cn1c(C[N@H+](C)Cc2ccccc2)nnc1-c1ccccc1 ZINC000160669832 523608795 /nfs/dbraw/zinc/60/87/95/523608795.db2.gz GOMZAGRODYOEOG-UHFFFAOYSA-N 1 2 292.386 3.114 20 70 CGIDLO Cn1c(C[N@@H+](C)Cc2ccccc2)nnc1-c1ccccc1 ZINC000160669832 523608803 /nfs/dbraw/zinc/60/88/03/523608803.db2.gz GOMZAGRODYOEOG-UHFFFAOYSA-N 1 2 292.386 3.114 20 70 CGIDLO C[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)c1cnccn1 ZINC000161485137 525484371 /nfs/dbraw/zinc/48/43/71/525484371.db2.gz FKWTUMVNMIDVLS-LBPRGKRZSA-N 1 2 296.399 3.451 20 70 CGIDLO CC(C)c1nc(C[N@@H+](CCc2nccs2)C(C)C)no1 ZINC000159864955 528275744 /nfs/dbraw/zinc/27/57/44/528275744.db2.gz PMJRSPWWYFFHSO-UHFFFAOYSA-N 1 2 294.424 3.103 20 70 CGIDLO CC(C)c1nc(C[N@H+](CCc2nccs2)C(C)C)no1 ZINC000159864955 528275748 /nfs/dbraw/zinc/27/57/48/528275748.db2.gz PMJRSPWWYFFHSO-UHFFFAOYSA-N 1 2 294.424 3.103 20 70 CGIDLO C[N@H+](Cc1ncc(-c2ccccc2)s1)[C@H]1CCOC1 ZINC000160067047 372208238 /nfs/dbraw/zinc/20/82/38/372208238.db2.gz VZQYDMHDRZVBTM-ZDUSSCGKSA-N 1 2 274.389 3.031 20 70 CGIDLO C[N@@H+](Cc1ncc(-c2ccccc2)s1)[C@H]1CCOC1 ZINC000160067047 372208243 /nfs/dbraw/zinc/20/82/43/372208243.db2.gz VZQYDMHDRZVBTM-ZDUSSCGKSA-N 1 2 274.389 3.031 20 70 CGIDLO COc1cc(C2(C(=O)Nc3cc[nH+]c(C)c3)CC2)ccc1C ZINC000160065588 372208350 /nfs/dbraw/zinc/20/83/50/372208350.db2.gz SVHWDALEAUNBHP-UHFFFAOYSA-N 1 2 296.370 3.377 20 70 CGIDLO FC(F)(F)c1cc[nH+]c(N[C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000160332666 372239051 /nfs/dbraw/zinc/23/90/51/372239051.db2.gz AISKDABCEULTFS-VXGBXAGGSA-N 1 2 286.297 3.470 20 70 CGIDLO CC[C@H](O)CN(Cc1ccccc1)c1cc[nH+]c(C(C)C)n1 ZINC000161010617 372295090 /nfs/dbraw/zinc/29/50/90/372295090.db2.gz JVLKEZMCGIIVCY-INIZCTEOSA-N 1 2 299.418 3.378 20 70 CGIDLO Cc1cc(N[C@@H]2C=CCCC2)nc(-c2cccnc2)[nH+]1 ZINC000160717835 372269707 /nfs/dbraw/zinc/26/97/07/372269707.db2.gz ZUALDIMOFNXWBF-CQSZACIVSA-N 1 2 266.348 3.368 20 70 CGIDLO Cn1cnnc1C[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000160782908 372274723 /nfs/dbraw/zinc/27/47/23/372274723.db2.gz MJDJPJYKUOFAAL-UHFFFAOYSA-N 1 2 292.386 3.114 20 70 CGIDLO Cn1cnnc1C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000160782908 372274730 /nfs/dbraw/zinc/27/47/30/372274730.db2.gz MJDJPJYKUOFAAL-UHFFFAOYSA-N 1 2 292.386 3.114 20 70 CGIDLO CCn1ccnc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000160814414 372277903 /nfs/dbraw/zinc/27/79/03/372277903.db2.gz TZVZYHPGIVAYGN-UHFFFAOYSA-N 1 2 273.355 3.207 20 70 CGIDLO CCn1ccnc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000160814414 372277908 /nfs/dbraw/zinc/27/79/08/372277908.db2.gz TZVZYHPGIVAYGN-UHFFFAOYSA-N 1 2 273.355 3.207 20 70 CGIDLO CCn1cc[nH+]c1CN(Cc1cccc(F)c1)C1CC1 ZINC000160814414 372277912 /nfs/dbraw/zinc/27/79/12/372277912.db2.gz TZVZYHPGIVAYGN-UHFFFAOYSA-N 1 2 273.355 3.207 20 70 CGIDLO Cc1ccc(C[N@@H+](C)Cc2cnc3c(C)cccn23)o1 ZINC000160864358 372284177 /nfs/dbraw/zinc/28/41/77/372284177.db2.gz AZBPFRDQVCUZQA-UHFFFAOYSA-N 1 2 269.348 3.176 20 70 CGIDLO Cc1ccc(C[N@H+](C)Cc2cnc3c(C)cccn23)o1 ZINC000160864358 372284182 /nfs/dbraw/zinc/28/41/82/372284182.db2.gz AZBPFRDQVCUZQA-UHFFFAOYSA-N 1 2 269.348 3.176 20 70 CGIDLO Cc1ccc(CN(C)Cc2c[nH+]c3c(C)cccn23)o1 ZINC000160864358 372284188 /nfs/dbraw/zinc/28/41/88/372284188.db2.gz AZBPFRDQVCUZQA-UHFFFAOYSA-N 1 2 269.348 3.176 20 70 CGIDLO Cc1[nH]ncc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000159762574 372177807 /nfs/dbraw/zinc/17/78/07/372177807.db2.gz PTCUOQSKLFEEMB-UHFFFAOYSA-N 1 2 253.349 3.007 20 70 CGIDLO Cc1[nH]ncc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000159762574 372177812 /nfs/dbraw/zinc/17/78/12/372177812.db2.gz PTCUOQSKLFEEMB-UHFFFAOYSA-N 1 2 253.349 3.007 20 70 CGIDLO FC(F)(F)c1cc[nH+]c(N[C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000160332798 372239125 /nfs/dbraw/zinc/23/91/25/372239125.db2.gz AISKDABCEULTFS-NWDGAFQWSA-N 1 2 286.297 3.470 20 70 CGIDLO Cc1ccc(C[N@@H+](C)Cc2cnn(C(C)(C)C)c2)o1 ZINC000160876818 372285469 /nfs/dbraw/zinc/28/54/69/372285469.db2.gz LQVDDEYFMWBMKW-UHFFFAOYSA-N 1 2 261.369 3.172 20 70 CGIDLO Cc1ccc(C[N@H+](C)Cc2cnn(C(C)(C)C)c2)o1 ZINC000160876818 372285477 /nfs/dbraw/zinc/28/54/77/372285477.db2.gz LQVDDEYFMWBMKW-UHFFFAOYSA-N 1 2 261.369 3.172 20 70 CGIDLO C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161193238 372309915 /nfs/dbraw/zinc/30/99/15/372309915.db2.gz LJGSVYBAGJBDMD-HNNXBMFYSA-N 1 2 299.393 3.100 20 70 CGIDLO C[C@@H]1CC[C@H](C)N1c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000161443062 372325019 /nfs/dbraw/zinc/32/50/19/372325019.db2.gz PQTKGBCTPMZGIN-BETUJISGSA-N 1 2 293.374 3.193 20 70 CGIDLO Cn1ncc2c1nc[nH+]c2NC1CC(C)(C)CC(C)(C)C1 ZINC000159386192 303062482 /nfs/dbraw/zinc/06/24/82/303062482.db2.gz MLSZXBPPWHXCNL-UHFFFAOYSA-N 1 2 287.411 3.380 20 70 CGIDLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000161394988 521623524 /nfs/dbraw/zinc/62/35/24/521623524.db2.gz XHGXSGIDGJDLEY-INIZCTEOSA-N 1 2 299.422 3.037 20 70 CGIDLO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000161394988 521623528 /nfs/dbraw/zinc/62/35/28/521623528.db2.gz XHGXSGIDGJDLEY-INIZCTEOSA-N 1 2 299.422 3.037 20 70 CGIDLO COc1c(C)c[nH+]c(CN(C)c2ccc(F)cc2)c1C ZINC000216712712 572859371 /nfs/dbraw/zinc/85/93/71/572859371.db2.gz FCOZWRIJPSPIBC-UHFFFAOYSA-N 1 2 274.339 3.483 20 70 CGIDLO Cc1cccn2cc(CNC(=O)[C@@H](C)c3cccs3)[nH+]c12 ZINC000159474391 372147910 /nfs/dbraw/zinc/14/79/10/372147910.db2.gz LNBKLGFDEQVJNO-LBPRGKRZSA-N 1 2 299.399 3.124 20 70 CGIDLO CC[C@H]([NH2+][C@H](C)c1cccc(OC(C)C)c1)C(=O)OC ZINC000159504166 372150699 /nfs/dbraw/zinc/15/06/99/372150699.db2.gz FZYYFGYYBAVXAR-DOMZBBRYSA-N 1 2 279.380 3.076 20 70 CGIDLO C[C@H](c1c(F)cccc1F)[N@H+](C)CCOCC1CC1 ZINC000159647278 372164680 /nfs/dbraw/zinc/16/46/80/372164680.db2.gz KBFCXBMUSLHGOZ-LLVKDONJSA-N 1 2 269.335 3.384 20 70 CGIDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCOCC1CC1 ZINC000159647278 372164690 /nfs/dbraw/zinc/16/46/90/372164690.db2.gz KBFCXBMUSLHGOZ-LLVKDONJSA-N 1 2 269.335 3.384 20 70 CGIDLO COC(C[N@H+](C)Cc1cccc(Cl)c1Cl)OC ZINC000160370206 372240691 /nfs/dbraw/zinc/24/06/91/372240691.db2.gz LGRZYSMNSACQMB-UHFFFAOYSA-N 1 2 278.179 3.044 20 70 CGIDLO COC(C[N@@H+](C)Cc1cccc(Cl)c1Cl)OC ZINC000160370206 372240695 /nfs/dbraw/zinc/24/06/95/372240695.db2.gz LGRZYSMNSACQMB-UHFFFAOYSA-N 1 2 278.179 3.044 20 70 CGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1C ZINC000161074745 372300373 /nfs/dbraw/zinc/30/03/73/372300373.db2.gz WPDLYYRRKBEOEY-OAHLLOKOSA-N 1 2 297.402 3.239 20 70 CGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1C ZINC000161074745 372300380 /nfs/dbraw/zinc/30/03/80/372300380.db2.gz WPDLYYRRKBEOEY-OAHLLOKOSA-N 1 2 297.402 3.239 20 70 CGIDLO CCOC(=O)[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000217683453 270085098 /nfs/dbraw/zinc/08/50/98/270085098.db2.gz DLQSZMQDLAAFLV-NUEKZKHPSA-N 1 2 275.392 3.459 20 70 CGIDLO CCOCCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000160561409 528661570 /nfs/dbraw/zinc/66/15/70/528661570.db2.gz SIABNSOERNFFIK-OAHLLOKOSA-N 1 2 283.799 3.140 20 70 CGIDLO CCOCCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000160561409 528661576 /nfs/dbraw/zinc/66/15/76/528661576.db2.gz SIABNSOERNFFIK-OAHLLOKOSA-N 1 2 283.799 3.140 20 70 CGIDLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000160810803 346172228 /nfs/dbraw/zinc/17/22/28/346172228.db2.gz JZKNQQMHCYLPFK-AWEZNQCLSA-N 1 2 275.783 3.411 20 70 CGIDLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000160810803 346172231 /nfs/dbraw/zinc/17/22/31/346172231.db2.gz JZKNQQMHCYLPFK-AWEZNQCLSA-N 1 2 275.783 3.411 20 70 CGIDLO CC(C)(C)OC(=O)Nc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000159407262 372141158 /nfs/dbraw/zinc/14/11/58/372141158.db2.gz YRLVYNUFEILLMZ-UHFFFAOYSA-N 1 2 288.351 3.369 20 70 CGIDLO CCOC(=O)[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000218749789 270085423 /nfs/dbraw/zinc/08/54/23/270085423.db2.gz BVAUUQGYHPHTNH-GJZGRUSLSA-N 1 2 275.392 3.459 20 70 CGIDLO CC1(C)CCC(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000160041694 278192827 /nfs/dbraw/zinc/19/28/27/278192827.db2.gz NPQHWXKYTOQGRP-UHFFFAOYSA-N 1 2 289.423 3.263 20 70 CGIDLO COc1ccc2[nH+]c(N(C)CC3CCOCC3)ccc2c1 ZINC000161292697 572883326 /nfs/dbraw/zinc/88/33/26/572883326.db2.gz YGXGSGARCXUGQO-UHFFFAOYSA-N 1 2 286.375 3.106 20 70 CGIDLO Cc1nc(C2([NH2+]Cc3cccc(F)c3)CCCC2)no1 ZINC000161369178 346175119 /nfs/dbraw/zinc/17/51/19/346175119.db2.gz CVENJFBFBAVSIL-UHFFFAOYSA-N 1 2 275.327 3.076 20 70 CGIDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC(C)C)cc1)C(=O)OC ZINC000159489391 372149065 /nfs/dbraw/zinc/14/90/65/372149065.db2.gz JIEDODWTHFIJPB-SWLSCSKDSA-N 1 2 279.380 3.076 20 70 CGIDLO CC[N@H+](CCCNC(=O)c1[nH]c(C)cc1C)c1ccccc1 ZINC000159697404 372169679 /nfs/dbraw/zinc/16/96/79/372169679.db2.gz UOKLLQWYMQCBSG-UHFFFAOYSA-N 1 2 299.418 3.278 20 70 CGIDLO CC[N@@H+](CCCNC(=O)c1[nH]c(C)cc1C)c1ccccc1 ZINC000159697404 372169686 /nfs/dbraw/zinc/16/96/86/372169686.db2.gz UOKLLQWYMQCBSG-UHFFFAOYSA-N 1 2 299.418 3.278 20 70 CGIDLO CC(C)(C)c1nsc(N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000159844914 372187352 /nfs/dbraw/zinc/18/73/52/372187352.db2.gz VXRCWWLLKMJHSJ-JTQLQIEISA-N 1 2 291.424 3.290 20 70 CGIDLO CCn1ccnc1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000160810536 372278045 /nfs/dbraw/zinc/27/80/45/372278045.db2.gz FVVNMZDFLJGMSO-UHFFFAOYSA-N 1 2 273.380 3.441 20 70 CGIDLO CCn1ccnc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000160810536 372278049 /nfs/dbraw/zinc/27/80/49/372278049.db2.gz FVVNMZDFLJGMSO-UHFFFAOYSA-N 1 2 273.380 3.441 20 70 CGIDLO C[C@@H]1COc2ccccc2N1Cc1c[nH+]c2ccccn12 ZINC000160868214 321859556 /nfs/dbraw/zinc/85/95/56/321859556.db2.gz NZDDZQWESMWWKB-CYBMUJFWSA-N 1 2 279.343 3.122 20 70 CGIDLO CCO[C@@H](C)c1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000161484129 520267829 /nfs/dbraw/zinc/26/78/29/520267829.db2.gz HLDRZULPJQBMLV-NSHDSACASA-N 1 2 286.466 3.180 20 70 CGIDLO CCO[C@@H](C)c1nc(C[N@H+]2CCCSCC2)cs1 ZINC000161484129 520267841 /nfs/dbraw/zinc/26/78/41/520267841.db2.gz HLDRZULPJQBMLV-NSHDSACASA-N 1 2 286.466 3.180 20 70 CGIDLO CC[C@@H]([NH2+][C@H](C)c1ccc(OC(C)C)cc1)C(=O)OC ZINC000159489586 372148545 /nfs/dbraw/zinc/14/85/45/372148545.db2.gz JIEDODWTHFIJPB-IUODEOHRSA-N 1 2 279.380 3.076 20 70 CGIDLO Cc1nn(C)cc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000159586663 372159537 /nfs/dbraw/zinc/15/95/37/372159537.db2.gz XYCHKMURCPIEDO-SFHVURJKSA-N 1 2 292.386 3.003 20 70 CGIDLO Cc1nc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cs1 ZINC000159803460 372181734 /nfs/dbraw/zinc/18/17/34/372181734.db2.gz XHNSMMIPBSVALC-HNNXBMFYSA-N 1 2 273.405 3.492 20 70 CGIDLO Cc1nc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)cs1 ZINC000159803460 372181738 /nfs/dbraw/zinc/18/17/38/372181738.db2.gz XHNSMMIPBSVALC-HNNXBMFYSA-N 1 2 273.405 3.492 20 70 CGIDLO CC1(C)C[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)CCO1 ZINC000160677476 372268029 /nfs/dbraw/zinc/26/80/29/372268029.db2.gz KVRWUOFVQHDKTA-JTQLQIEISA-N 1 2 274.286 3.470 20 70 CGIDLO CC(C)c1nc(N(C)[C@H](CCO)c2ccccc2)cc[nH+]1 ZINC000160381801 321850826 /nfs/dbraw/zinc/85/08/26/321850826.db2.gz BRVMONZXDUMUDR-OAHLLOKOSA-N 1 2 285.391 3.160 20 70 CGIDLO COc1cccc(Cl)c1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000217823100 329456852 /nfs/dbraw/zinc/45/68/52/329456852.db2.gz ZJRRZGONGDDTFK-UHFFFAOYSA-N 1 2 293.798 3.416 20 70 CGIDLO Clc1ccccc1[C@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000160559677 534654014 /nfs/dbraw/zinc/65/40/14/534654014.db2.gz SZUJJPMKKHOIBZ-MRXNPFEDSA-N 1 2 295.810 3.140 20 70 CGIDLO Clc1ccccc1[C@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000160559677 534654024 /nfs/dbraw/zinc/65/40/24/534654024.db2.gz SZUJJPMKKHOIBZ-MRXNPFEDSA-N 1 2 295.810 3.140 20 70 CGIDLO c1ccc(CSCCc2[nH]c3ccccc3[nH+]2)nc1 ZINC000218768010 376189714 /nfs/dbraw/zinc/18/97/14/376189714.db2.gz ZTJODACWHNGTNF-UHFFFAOYSA-N 1 2 269.373 3.434 20 70 CGIDLO CC[C@H]([NH2+][C@H](C)c1ccc(OC(C)C)cc1)C(=O)OC ZINC000159489472 372149265 /nfs/dbraw/zinc/14/92/65/372149265.db2.gz JIEDODWTHFIJPB-DOMZBBRYSA-N 1 2 279.380 3.076 20 70 CGIDLO CCC(CC)CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000160553005 372257717 /nfs/dbraw/zinc/25/77/17/372257717.db2.gz HWFSLESEVGCZDB-CYBMUJFWSA-N 1 2 278.400 3.083 20 70 CGIDLO CCCn1cc(C[N@H+](C)Cc2ccccc2F)cn1 ZINC000160728894 372271655 /nfs/dbraw/zinc/27/16/55/372271655.db2.gz HHPCAOJOIMOYDY-UHFFFAOYSA-N 1 2 261.344 3.064 20 70 CGIDLO CCCn1cc(C[N@@H+](C)Cc2ccccc2F)cn1 ZINC000160728894 372271661 /nfs/dbraw/zinc/27/16/61/372271661.db2.gz HHPCAOJOIMOYDY-UHFFFAOYSA-N 1 2 261.344 3.064 20 70 CGIDLO Cc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000159569714 542149441 /nfs/dbraw/zinc/14/94/41/542149441.db2.gz PYDZUUJBHPYUPR-UHFFFAOYSA-N 1 2 264.332 3.188 20 70 CGIDLO CCC[C@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)C(C)C ZINC000160377413 321850932 /nfs/dbraw/zinc/85/09/32/321850932.db2.gz DZKWLIHKIJROAK-ZDUSSCGKSA-N 1 2 277.412 3.183 20 70 CGIDLO C[C@@H]1[C@H](C)Sc2ccccc2N1Cc1[nH+]ccn1C ZINC000161128598 321862631 /nfs/dbraw/zinc/86/26/31/321862631.db2.gz BWIALLCXSNBBIW-NEPJUHHUSA-N 1 2 273.405 3.309 20 70 CGIDLO CCOc1cccc(C[NH2+]C(C)(C)c2ncc(C)s2)n1 ZINC000159700200 372170670 /nfs/dbraw/zinc/17/06/70/372170670.db2.gz XVZQYJDLTLNNHU-UHFFFAOYSA-N 1 2 291.420 3.270 20 70 CGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000161121003 372302616 /nfs/dbraw/zinc/30/26/16/372302616.db2.gz JKRDSVAWJNUEBS-OAHLLOKOSA-N 1 2 297.402 3.239 20 70 CGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000161121003 372302620 /nfs/dbraw/zinc/30/26/20/372302620.db2.gz JKRDSVAWJNUEBS-OAHLLOKOSA-N 1 2 297.402 3.239 20 70 CGIDLO CC[C@@H](O)CN(Cc1ccccc1)c1cc[nH+]c(C(C)C)n1 ZINC000161010764 372294548 /nfs/dbraw/zinc/29/45/48/372294548.db2.gz JVLKEZMCGIIVCY-MRXNPFEDSA-N 1 2 299.418 3.378 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2cccc(Cl)c2)n1 ZINC000160531561 372255465 /nfs/dbraw/zinc/25/54/65/372255465.db2.gz QFUZLJYIBJSJNU-UHFFFAOYSA-N 1 2 291.782 3.030 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2cccc(Cl)c2)n1 ZINC000160531561 372255472 /nfs/dbraw/zinc/25/54/72/372255472.db2.gz QFUZLJYIBJSJNU-UHFFFAOYSA-N 1 2 291.782 3.030 20 70 CGIDLO O[C@@H](C[C@H]1CCCN1c1cccc[nH+]1)c1ccc(F)cc1 ZINC000161146240 372306345 /nfs/dbraw/zinc/30/63/45/372306345.db2.gz YXFGQSIKBAGVGY-CVEARBPZSA-N 1 2 286.350 3.313 20 70 CGIDLO O=C(NCCC1=CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000160233386 321848438 /nfs/dbraw/zinc/84/84/38/321848438.db2.gz USTGQSMHLXWSHD-UHFFFAOYSA-N 1 2 281.359 3.103 20 70 CGIDLO COc1cc(C)ccc1[NH2+][C@@H](C)CCn1cccn1 ZINC000159423092 372142682 /nfs/dbraw/zinc/14/26/82/372142682.db2.gz FXKUFDPSFHUXJG-ZDUSSCGKSA-N 1 2 259.353 3.091 20 70 CGIDLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)oc1C ZINC000160148888 372218991 /nfs/dbraw/zinc/21/89/91/372218991.db2.gz CKGVIDSMJYHAIT-OAHLLOKOSA-N 1 2 271.364 3.332 20 70 CGIDLO Cc1nc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)oc1C ZINC000160148888 372218996 /nfs/dbraw/zinc/21/89/96/372218996.db2.gz CKGVIDSMJYHAIT-OAHLLOKOSA-N 1 2 271.364 3.332 20 70 CGIDLO CCc1nnc(C[N@H+]2CC=C(c3cc(C)cc(C)c3)CC2)[nH]1 ZINC000160230410 372227457 /nfs/dbraw/zinc/22/74/57/372227457.db2.gz CLVSFXNZHPWRAM-UHFFFAOYSA-N 1 2 296.418 3.273 20 70 CGIDLO CCc1nnc(C[N@@H+]2CC=C(c3cc(C)cc(C)c3)CC2)[nH]1 ZINC000160230410 372227459 /nfs/dbraw/zinc/22/74/59/372227459.db2.gz CLVSFXNZHPWRAM-UHFFFAOYSA-N 1 2 296.418 3.273 20 70 CGIDLO CC[C@H]([NH2+][C@H](C)c1nnc(C)o1)c1ccc(F)cc1F ZINC000161002324 372294636 /nfs/dbraw/zinc/29/46/36/372294636.db2.gz OARDBOKMIDSOEQ-OQPBUACISA-N 1 2 281.306 3.458 20 70 CGIDLO CCCn1c(C)nnc1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000160464950 372249879 /nfs/dbraw/zinc/24/98/79/372249879.db2.gz FIEFRDVCEVUOMZ-UHFFFAOYSA-N 1 2 298.390 3.375 20 70 CGIDLO CCCn1c(C)nnc1C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000160464950 372249888 /nfs/dbraw/zinc/24/98/88/372249888.db2.gz FIEFRDVCEVUOMZ-UHFFFAOYSA-N 1 2 298.390 3.375 20 70 CGIDLO CCOC(=O)[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000217683612 270085195 /nfs/dbraw/zinc/08/51/95/270085195.db2.gz DLQSZMQDLAAFLV-CWRNSKLLSA-N 1 2 275.392 3.459 20 70 CGIDLO Cc1nc(N[C@H]2CCO[C@@H](C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000160375244 372242399 /nfs/dbraw/zinc/24/23/99/372242399.db2.gz YMIRJTOGIVDHGB-XJKSGUPXSA-N 1 2 287.407 3.033 20 70 CGIDLO CC(C)c1ccc([C@H](C)CC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000159865212 372189608 /nfs/dbraw/zinc/18/96/08/372189608.db2.gz OQUUCXDPUAVCDA-CYBMUJFWSA-N 1 2 285.391 3.343 20 70 CGIDLO C[C@H](c1ccco1)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160869012 372283825 /nfs/dbraw/zinc/28/38/25/372283825.db2.gz BTDLQJLZODMBMY-CYBMUJFWSA-N 1 2 296.374 3.268 20 70 CGIDLO C[C@H](c1ccco1)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160869012 372283835 /nfs/dbraw/zinc/28/38/35/372283835.db2.gz BTDLQJLZODMBMY-CYBMUJFWSA-N 1 2 296.374 3.268 20 70 CGIDLO CCc1nnc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)[nH]1 ZINC000160468543 392582460 /nfs/dbraw/zinc/58/24/60/392582460.db2.gz MILYENOFVVEHSA-SECBINFHSA-N 1 2 298.312 3.237 20 70 CGIDLO CC(C)CC(CC(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161410180 392584770 /nfs/dbraw/zinc/58/47/70/392584770.db2.gz VYNAEPMSIXOVGX-CQSZACIVSA-N 1 2 291.439 3.023 20 70 CGIDLO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000160816667 321857757 /nfs/dbraw/zinc/85/77/57/321857757.db2.gz WMDSCLZERYISCR-GDBMZVCRSA-N 1 2 269.348 3.247 20 70 CGIDLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000160810677 346172561 /nfs/dbraw/zinc/17/25/61/346172561.db2.gz JZKNQQMHCYLPFK-CQSZACIVSA-N 1 2 275.783 3.411 20 70 CGIDLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000160810677 346172565 /nfs/dbraw/zinc/17/25/65/346172565.db2.gz JZKNQQMHCYLPFK-CQSZACIVSA-N 1 2 275.783 3.411 20 70 CGIDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccccc1Br ZINC000160386580 372242322 /nfs/dbraw/zinc/24/23/22/372242322.db2.gz ZXOBPZUWMHGYFQ-UHFFFAOYSA-N 1 2 294.196 3.113 20 70 CGIDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccccc1Br ZINC000160386580 372242334 /nfs/dbraw/zinc/24/23/34/372242334.db2.gz ZXOBPZUWMHGYFQ-UHFFFAOYSA-N 1 2 294.196 3.113 20 70 CGIDLO CCC[N@H+](Cc1noc(C2CCCCC2)n1)C1CC1 ZINC000159836423 372185493 /nfs/dbraw/zinc/18/54/93/372185493.db2.gz RLTCZRUBTXULAG-UHFFFAOYSA-N 1 2 263.385 3.492 20 70 CGIDLO CCC[N@@H+](Cc1noc(C2CCCCC2)n1)C1CC1 ZINC000159836423 372185496 /nfs/dbraw/zinc/18/54/96/372185496.db2.gz RLTCZRUBTXULAG-UHFFFAOYSA-N 1 2 263.385 3.492 20 70 CGIDLO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000160664743 372266349 /nfs/dbraw/zinc/26/63/49/372266349.db2.gz CXNFHVFRTVKPOJ-CXAGYDPISA-N 1 2 284.407 3.190 20 70 CGIDLO CCCn1c(C)nnc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000160664743 372266353 /nfs/dbraw/zinc/26/63/53/372266353.db2.gz CXNFHVFRTVKPOJ-CXAGYDPISA-N 1 2 284.407 3.190 20 70 CGIDLO Cn1cnnc1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000160670688 372266818 /nfs/dbraw/zinc/26/68/18/372266818.db2.gz GFFKWXYVUAMCKJ-UHFFFAOYSA-N 1 2 292.386 3.018 20 70 CGIDLO C[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)c1cnccn1 ZINC000161485258 525556322 /nfs/dbraw/zinc/55/63/22/525556322.db2.gz FKWTUMVNMIDVLS-GFCCVEGCSA-N 1 2 296.399 3.451 20 70 CGIDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccncc1 ZINC000160743129 525564851 /nfs/dbraw/zinc/56/48/51/525564851.db2.gz NODIAQGFDKEZRJ-GFCCVEGCSA-N 1 2 296.399 3.451 20 70 CGIDLO C[C@@H](c1cccc(F)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159483979 372147689 /nfs/dbraw/zinc/14/76/89/372147689.db2.gz JVIFMZAOJBYVMD-HNNXBMFYSA-N 1 2 299.393 3.100 20 70 CGIDLO Cc1ccc(C(=O)CC[N@@H+](C)Cc2nccs2)cc1 ZINC000159945624 372195862 /nfs/dbraw/zinc/19/58/62/372195862.db2.gz GMLRMJNVUHZXEJ-UHFFFAOYSA-N 1 2 274.389 3.156 20 70 CGIDLO Cc1ccc(C(=O)CC[N@H+](C)Cc2nccs2)cc1 ZINC000159945624 372195869 /nfs/dbraw/zinc/19/58/69/372195869.db2.gz GMLRMJNVUHZXEJ-UHFFFAOYSA-N 1 2 274.389 3.156 20 70 CGIDLO Cc1[nH+]c2ccccn2c1CN(CCCO)c1ccccc1 ZINC000160986582 372292955 /nfs/dbraw/zinc/29/29/55/372292955.db2.gz QDYCBNGUPJCIPI-UHFFFAOYSA-N 1 2 295.386 3.032 20 70 CGIDLO CC[N@H+](Cc1nccn1C)[C@@H](C)c1cccc(OC)c1 ZINC000160786854 372275124 /nfs/dbraw/zinc/27/51/24/372275124.db2.gz GPRSDTHPHCVCDV-ZDUSSCGKSA-N 1 2 273.380 3.012 20 70 CGIDLO CC[N@@H+](Cc1nccn1C)[C@@H](C)c1cccc(OC)c1 ZINC000160786854 372275128 /nfs/dbraw/zinc/27/51/28/372275128.db2.gz GPRSDTHPHCVCDV-ZDUSSCGKSA-N 1 2 273.380 3.012 20 70 CGIDLO Cc1ccc([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)o1 ZINC000160341676 372239631 /nfs/dbraw/zinc/23/96/31/372239631.db2.gz RDGJDQBMKGJFGB-CYBMUJFWSA-N 1 2 269.348 3.395 20 70 CGIDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1Cl ZINC000161239514 372312564 /nfs/dbraw/zinc/31/25/64/372312564.db2.gz GBXKKSNSRBSGEB-LLVKDONJSA-N 1 2 299.798 3.121 20 70 CGIDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1Cl ZINC000161239514 372312571 /nfs/dbraw/zinc/31/25/71/372312571.db2.gz GBXKKSNSRBSGEB-LLVKDONJSA-N 1 2 299.798 3.121 20 70 CGIDLO CCc1noc(C)c1C[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000161341147 372318608 /nfs/dbraw/zinc/31/86/08/372318608.db2.gz WDLZKJYEUMBKNE-GOSISDBHSA-N 1 2 299.418 3.034 20 70 CGIDLO CCc1noc(C)c1C[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000161341147 372318612 /nfs/dbraw/zinc/31/86/12/372318612.db2.gz WDLZKJYEUMBKNE-GOSISDBHSA-N 1 2 299.418 3.034 20 70 CGIDLO CCOC(=O)[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000217674933 270085246 /nfs/dbraw/zinc/08/52/46/270085246.db2.gz GIEQGNRYHAIYEM-MRXNPFEDSA-N 1 2 275.392 3.461 20 70 CGIDLO Cc1ccc2oc(SCCn3cc[nH+]c3)nc2c1 ZINC000160139720 321847541 /nfs/dbraw/zinc/84/75/41/321847541.db2.gz CMAACNNBZDELBI-UHFFFAOYSA-N 1 2 259.334 3.125 20 70 CGIDLO Fc1ccc(F)c2c1CCN(Cc1c[nH+]c3ccccn13)C2 ZINC000161440230 526351442 /nfs/dbraw/zinc/35/14/42/526351442.db2.gz JOWYTCHWNFLFJA-UHFFFAOYSA-N 1 2 299.324 3.171 20 70 CGIDLO FC(F)(F)CN(Cc1c[nH+]c2ccccn12)CC1CCC1 ZINC000160972359 527667089 /nfs/dbraw/zinc/66/70/89/527667089.db2.gz ZLFRWJGBMOSJRU-UHFFFAOYSA-N 1 2 297.324 3.499 20 70 CGIDLO Cc1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000160375112 188468915 /nfs/dbraw/zinc/46/89/15/188468915.db2.gz YMIRJTOGIVDHGB-CZUORRHYSA-N 1 2 287.407 3.033 20 70 CGIDLO CC[C@H](O)CN(Cc1ccccc1)c1cc[nH+]c(C2CC2)n1 ZINC000161022443 372297123 /nfs/dbraw/zinc/29/71/23/372297123.db2.gz ICYPTDYRTNXWOW-INIZCTEOSA-N 1 2 297.402 3.132 20 70 CGIDLO C[C@@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)c1ccoc1 ZINC000160755096 372272660 /nfs/dbraw/zinc/27/26/60/372272660.db2.gz SNVAPDMLFWNOJY-CHWSQXEVSA-N 1 2 282.347 3.272 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000160855154 372281449 /nfs/dbraw/zinc/28/14/49/372281449.db2.gz PHDOWHIIZDSNBB-CYBMUJFWSA-N 1 2 289.404 3.143 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000160855154 372281453 /nfs/dbraw/zinc/28/14/53/372281453.db2.gz PHDOWHIIZDSNBB-CYBMUJFWSA-N 1 2 289.404 3.143 20 70 CGIDLO CC(=O)c1ccc(CNc2cc[nH+]c(C(C)(C)C)n2)nc1C ZINC000159699275 542150972 /nfs/dbraw/zinc/15/09/72/542150972.db2.gz XEDOYIWQXBQJTN-UHFFFAOYSA-N 1 2 298.390 3.292 20 70 CGIDLO CCc1cccc(OCCSc2nc(N)cc(C)[nH+]2)c1 ZINC000216660403 270085112 /nfs/dbraw/zinc/08/51/12/270085112.db2.gz GSJJRVOUZCJSDQ-UHFFFAOYSA-N 1 2 289.404 3.101 20 70 CGIDLO CC[C@H](C)[C@@H]([NH2+]Cc1coc2ccccc12)C(=O)OC ZINC000161083888 521860299 /nfs/dbraw/zinc/86/02/99/521860299.db2.gz AGRIRCMZMBGWMY-XHDPSFHLSA-N 1 2 275.348 3.110 20 70 CGIDLO Cc1cccn2cc(CNC(=O)[C@H](C)c3ccsc3)[nH+]c12 ZINC000159474958 346167648 /nfs/dbraw/zinc/16/76/48/346167648.db2.gz TXXTWGBCOYPGQN-GFCCVEGCSA-N 1 2 299.399 3.124 20 70 CGIDLO CCc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000161370120 346175317 /nfs/dbraw/zinc/17/53/17/346175317.db2.gz BJLRNIJYKCFJJN-UHFFFAOYSA-N 1 2 285.391 3.500 20 70 CGIDLO Cc1cccn2cc(CNC(=O)[C@H](C)c3cccs3)[nH+]c12 ZINC000159474519 372147456 /nfs/dbraw/zinc/14/74/56/372147456.db2.gz LNBKLGFDEQVJNO-GFCCVEGCSA-N 1 2 299.399 3.124 20 70 CGIDLO CC[N@H+](Cc1nccn1C)[C@H](C)c1cccc(OC)c1 ZINC000160786993 372274669 /nfs/dbraw/zinc/27/46/69/372274669.db2.gz GPRSDTHPHCVCDV-CYBMUJFWSA-N 1 2 273.380 3.012 20 70 CGIDLO CC[N@@H+](Cc1nccn1C)[C@H](C)c1cccc(OC)c1 ZINC000160786993 372274677 /nfs/dbraw/zinc/27/46/77/372274677.db2.gz GPRSDTHPHCVCDV-CYBMUJFWSA-N 1 2 273.380 3.012 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@H](C)c2ccccc2F)n1 ZINC000160902920 372287671 /nfs/dbraw/zinc/28/76/71/372287671.db2.gz ZGOHYZYUAUQOAP-LLVKDONJSA-N 1 2 289.354 3.077 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@H](C)c2ccccc2F)n1 ZINC000160902920 372287678 /nfs/dbraw/zinc/28/76/78/372287678.db2.gz ZGOHYZYUAUQOAP-LLVKDONJSA-N 1 2 289.354 3.077 20 70 CGIDLO Cc1nn(C)cc1C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000161337525 372318579 /nfs/dbraw/zinc/31/85/79/372318579.db2.gz OJYQDIKETCRJOC-HNNXBMFYSA-N 1 2 298.415 3.064 20 70 CGIDLO CCOC(=O)[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000217674850 270085267 /nfs/dbraw/zinc/08/52/67/270085267.db2.gz GIEQGNRYHAIYEM-INIZCTEOSA-N 1 2 275.392 3.461 20 70 CGIDLO CC[C@H](C)[C@H]([NH2+]Cc1coc2ccccc12)C(=O)OC ZINC000161083652 521978926 /nfs/dbraw/zinc/97/89/26/521978926.db2.gz AGRIRCMZMBGWMY-NHYWBVRUSA-N 1 2 275.348 3.110 20 70 CGIDLO C[C@H](C1CC1)[N@H+](Cc1csnn1)Cc1ccccc1 ZINC000159682387 372168163 /nfs/dbraw/zinc/16/81/63/372168163.db2.gz JQJKLVVBMZQMRR-GFCCVEGCSA-N 1 2 273.405 3.339 20 70 CGIDLO C[C@H](C1CC1)[N@@H+](Cc1csnn1)Cc1ccccc1 ZINC000159682387 372168169 /nfs/dbraw/zinc/16/81/69/372168169.db2.gz JQJKLVVBMZQMRR-GFCCVEGCSA-N 1 2 273.405 3.339 20 70 CGIDLO Cc1ccc(-n2ccnc2SCCn2cc[nH+]c2)c(C)c1 ZINC000159693741 372170595 /nfs/dbraw/zinc/17/05/95/372170595.db2.gz IRTLVJRCYDNFQY-UHFFFAOYSA-N 1 2 298.415 3.478 20 70 CGIDLO Cc1[nH+]c2ccccn2c1CN1CCN(C)c2ccccc21 ZINC000160352113 372241399 /nfs/dbraw/zinc/24/13/99/372241399.db2.gz LUIIMSPJEVYZCB-UHFFFAOYSA-N 1 2 292.386 3.099 20 70 CGIDLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nnc(CC)[nH]1 ZINC000160324361 372238207 /nfs/dbraw/zinc/23/82/07/372238207.db2.gz IRTMYPMFLLDPID-CYBMUJFWSA-N 1 2 288.395 3.007 20 70 CGIDLO CC[C@@H]([NH2+][C@H](C)c1nnc(C)o1)c1ccc(F)cc1F ZINC000161002455 372294030 /nfs/dbraw/zinc/29/40/30/372294030.db2.gz OARDBOKMIDSOEQ-AMIZOPFISA-N 1 2 281.306 3.458 20 70 CGIDLO Cc1cc(N[C@H]2CCO[C@@H](c3ccccc3)C2)nc[nH+]1 ZINC000160531956 372255793 /nfs/dbraw/zinc/25/57/93/372255793.db2.gz JGJSDDAMKOCRGS-LSDHHAIUSA-N 1 2 269.348 3.117 20 70 CGIDLO CCCc1csc(Cc2cn3ccccc3[nH+]2)n1 ZINC000160641181 372264157 /nfs/dbraw/zinc/26/41/57/372264157.db2.gz LIYVNLCCXWSNNI-UHFFFAOYSA-N 1 2 257.362 3.334 20 70 CGIDLO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccccc2F)o1 ZINC000160731854 372271362 /nfs/dbraw/zinc/27/13/62/372271362.db2.gz GXNNQRXLSZVNQO-UHFFFAOYSA-N 1 2 291.322 3.227 20 70 CGIDLO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2F)o1 ZINC000160731854 372271369 /nfs/dbraw/zinc/27/13/69/372271369.db2.gz GXNNQRXLSZVNQO-UHFFFAOYSA-N 1 2 291.322 3.227 20 70 CGIDLO CCC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1)C(=O)OCC ZINC000216632983 376166142 /nfs/dbraw/zinc/16/61/42/376166142.db2.gz PWISGUXYQLSVAG-IUODEOHRSA-N 1 2 279.380 3.078 20 70 CGIDLO CSc1ccc(C[N@H+](C)Cc2cn[nH]c2C)cc1 ZINC000160918220 542155704 /nfs/dbraw/zinc/15/57/04/542155704.db2.gz HDCCGIGPZSVHBB-UHFFFAOYSA-N 1 2 261.394 3.072 20 70 CGIDLO CSc1ccc(C[N@@H+](C)Cc2cn[nH]c2C)cc1 ZINC000160918220 542155706 /nfs/dbraw/zinc/15/57/06/542155706.db2.gz HDCCGIGPZSVHBB-UHFFFAOYSA-N 1 2 261.394 3.072 20 70 CGIDLO Cc1c[nH+]ccc1NC(=O)[C@H](C)Cc1ccccc1F ZINC000159390202 372137141 /nfs/dbraw/zinc/13/71/41/372137141.db2.gz IWZPUMCTWVLJQG-LLVKDONJSA-N 1 2 272.323 3.346 20 70 CGIDLO CCOC(C)(C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000159542216 372154414 /nfs/dbraw/zinc/15/44/14/372154414.db2.gz PNULGDGWXXZRKN-UHFFFAOYSA-N 1 2 262.275 3.327 20 70 CGIDLO Cc1[nH+]c2ccccn2c1CN1CCOc2cc(F)ccc21 ZINC000160501012 372251687 /nfs/dbraw/zinc/25/16/87/372251687.db2.gz IUZVXKDTFFKFCE-UHFFFAOYSA-N 1 2 297.333 3.181 20 70 CGIDLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000160816799 321858119 /nfs/dbraw/zinc/85/81/19/321858119.db2.gz WMDSCLZERYISCR-ZBFHGGJFSA-N 1 2 269.348 3.247 20 70 CGIDLO C[C@@H]1Sc2ccccc2N(Cc2[nH+]ccn2C)[C@H]1C ZINC000161128707 321862719 /nfs/dbraw/zinc/86/27/19/321862719.db2.gz BWIALLCXSNBBIW-RYUDHWBXSA-N 1 2 273.405 3.309 20 70 CGIDLO O=C(NCc1[nH]cc[nH+]1)c1cccc(OC2CCCCC2)c1 ZINC000159863771 346169469 /nfs/dbraw/zinc/16/94/69/346169469.db2.gz URZNEVAFQSHTDI-UHFFFAOYSA-N 1 2 299.374 3.051 20 70 CGIDLO Cn1c(C[N@H+](C)Cc2ccsc2)nnc1-c1ccccc1 ZINC000160709275 346172252 /nfs/dbraw/zinc/17/22/52/346172252.db2.gz CYRFGNQIAAUPGH-UHFFFAOYSA-N 1 2 298.415 3.176 20 70 CGIDLO Cn1c(C[N@@H+](C)Cc2ccsc2)nnc1-c1ccccc1 ZINC000160709275 346172255 /nfs/dbraw/zinc/17/22/55/346172255.db2.gz CYRFGNQIAAUPGH-UHFFFAOYSA-N 1 2 298.415 3.176 20 70 CGIDLO CC[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nccn1C ZINC000160869872 346173165 /nfs/dbraw/zinc/17/31/65/346173165.db2.gz QZHITTZGZVOHGW-CQSZACIVSA-N 1 2 261.344 3.142 20 70 CGIDLO CC[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nccn1C ZINC000160869872 346173166 /nfs/dbraw/zinc/17/31/66/346173166.db2.gz QZHITTZGZVOHGW-CQSZACIVSA-N 1 2 261.344 3.142 20 70 CGIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC2(C)C)c1 ZINC000159386272 188423636 /nfs/dbraw/zinc/42/36/36/188423636.db2.gz SGHIOWVQDSMCKK-ZDUSSCGKSA-N 1 2 269.348 3.072 20 70 CGIDLO Clc1ccc([C@@H]2C[N@H+](CCOCC3CC3)CCO2)cc1 ZINC000159424251 372142812 /nfs/dbraw/zinc/14/28/12/372142812.db2.gz ARBKLVZTFQXBFB-INIZCTEOSA-N 1 2 295.810 3.140 20 70 CGIDLO Clc1ccc([C@@H]2C[N@@H+](CCOCC3CC3)CCO2)cc1 ZINC000159424251 372142816 /nfs/dbraw/zinc/14/28/16/372142816.db2.gz ARBKLVZTFQXBFB-INIZCTEOSA-N 1 2 295.810 3.140 20 70 CGIDLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccccc2C)n1 ZINC000159699504 372169759 /nfs/dbraw/zinc/16/97/59/372169759.db2.gz DZYOXCVHYKXOMX-CHWSQXEVSA-N 1 2 289.379 3.326 20 70 CGIDLO Cc1c[nH+]ccc1CCNc1nc(C(C)(C)C)ns1 ZINC000160111327 372214911 /nfs/dbraw/zinc/21/49/11/372214911.db2.gz UWIPTXBVPJTBJV-UHFFFAOYSA-N 1 2 276.409 3.194 20 70 CGIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)[nH]1 ZINC000160447927 372248483 /nfs/dbraw/zinc/24/84/83/372248483.db2.gz TWFQKJLWJZUFNB-QMMMGPOBSA-N 1 2 282.750 3.010 20 70 CGIDLO CC(=O)NCCC[N@H+](c1cc(C)ccc1C)C(C)C ZINC000160731866 372271901 /nfs/dbraw/zinc/27/19/01/372271901.db2.gz UQOKRBPJSQHSQU-UHFFFAOYSA-N 1 2 262.397 3.044 20 70 CGIDLO CC(=O)NCCC[N@@H+](c1cc(C)ccc1C)C(C)C ZINC000160731866 372271905 /nfs/dbraw/zinc/27/19/05/372271905.db2.gz UQOKRBPJSQHSQU-UHFFFAOYSA-N 1 2 262.397 3.044 20 70 CGIDLO CCc1ccc([C@H](CO)Nc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000160915010 372287834 /nfs/dbraw/zinc/28/78/34/372287834.db2.gz SRXKXVYZPLVARZ-INIZCTEOSA-N 1 2 297.402 3.370 20 70 CGIDLO Fc1ccc(-c2c[nH]c(SCCn3cc[nH+]c3)n2)cc1 ZINC000159739456 321839889 /nfs/dbraw/zinc/83/98/89/321839889.db2.gz JYVXNNDWXZEGGZ-UHFFFAOYSA-N 1 2 288.351 3.205 20 70 CGIDLO CCn1cc[nH+]c1CN(Cc1ccccc1OC)C1CC1 ZINC000160816118 529568064 /nfs/dbraw/zinc/56/80/64/529568064.db2.gz RVAHYKCABWJILF-UHFFFAOYSA-N 1 2 285.391 3.076 20 70 CGIDLO Cc1cc([NH2+][C@H](C)CCn2cccn2)ccc1N(C)C ZINC000159416909 372141607 /nfs/dbraw/zinc/14/16/07/372141607.db2.gz MOOCSPIEJLILGC-CQSZACIVSA-N 1 2 272.396 3.148 20 70 CGIDLO Cc1cc(N[C@H](C)CCn2cccn2)ccc1[NH+](C)C ZINC000159416909 372141617 /nfs/dbraw/zinc/14/16/17/372141617.db2.gz MOOCSPIEJLILGC-CQSZACIVSA-N 1 2 272.396 3.148 20 70 CGIDLO CC(C)([NH2+]Cc1ccn(C2CCCC2)n1)c1nccs1 ZINC000218060258 376183523 /nfs/dbraw/zinc/18/35/23/376183523.db2.gz NEERJWDHFVSXHE-UHFFFAOYSA-N 1 2 290.436 3.480 20 70 CGIDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000217671188 270085335 /nfs/dbraw/zinc/08/53/35/270085335.db2.gz OHLDOFYGKKOKIC-QGZVFWFLSA-N 1 2 283.371 3.423 20 70 CGIDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000217671188 270085336 /nfs/dbraw/zinc/08/53/36/270085336.db2.gz OHLDOFYGKKOKIC-QGZVFWFLSA-N 1 2 283.371 3.423 20 70 CGIDLO CCOC(=O)[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000218749828 270085556 /nfs/dbraw/zinc/08/55/56/270085556.db2.gz BVAUUQGYHPHTNH-LSDHHAIUSA-N 1 2 275.392 3.459 20 70 CGIDLO CCCn1c(C)nnc1C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000160664615 276297255 /nfs/dbraw/zinc/29/72/55/276297255.db2.gz CXNFHVFRTVKPOJ-SUMWQHHRSA-N 1 2 284.407 3.190 20 70 CGIDLO CCCn1c(C)nnc1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000160664615 276297256 /nfs/dbraw/zinc/29/72/56/276297256.db2.gz CXNFHVFRTVKPOJ-SUMWQHHRSA-N 1 2 284.407 3.190 20 70 CGIDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3(C)CC3)n2)C1 ZINC000161363614 524096436 /nfs/dbraw/zinc/09/64/36/524096436.db2.gz WMMAJQXZNHDONL-NSHDSACASA-N 1 2 293.436 3.114 20 70 CGIDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(C)CC3)n2)C1 ZINC000161363614 524096445 /nfs/dbraw/zinc/09/64/45/524096445.db2.gz WMMAJQXZNHDONL-NSHDSACASA-N 1 2 293.436 3.114 20 70 CGIDLO CCSc1ccc([C@@H](C)[NH2+]Cc2nc(C)no2)cc1 ZINC000159370413 372136580 /nfs/dbraw/zinc/13/65/80/372136580.db2.gz LFKSPMCPNKFXCA-SNVBAGLBSA-N 1 2 277.393 3.341 20 70 CGIDLO CCc1ccc([C@H](C)[NH2+]Cc2cn3ccccc3n2)o1 ZINC000159442150 372144301 /nfs/dbraw/zinc/14/43/01/372144301.db2.gz BBXSKLQFICBPBC-LBPRGKRZSA-N 1 2 269.348 3.341 20 70 CGIDLO Cc1cc(Cl)cc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000159734241 372173870 /nfs/dbraw/zinc/17/38/70/372173870.db2.gz UIBOBPGACCURBK-UHFFFAOYSA-N 1 2 262.696 3.001 20 70 CGIDLO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000160099133 372212756 /nfs/dbraw/zinc/21/27/56/372212756.db2.gz VEYFMWKZCHZLSO-SFHVURJKSA-N 1 2 299.370 3.234 20 70 CGIDLO Cc1ccc(C(=O)CC[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000160099133 372212760 /nfs/dbraw/zinc/21/27/60/372212760.db2.gz VEYFMWKZCHZLSO-SFHVURJKSA-N 1 2 299.370 3.234 20 70 CGIDLO Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000160375400 372242493 /nfs/dbraw/zinc/24/24/93/372242493.db2.gz VUYDZKHVYJHSLU-KGLIPLIRSA-N 1 2 275.396 3.278 20 70 CGIDLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000160669024 372266252 /nfs/dbraw/zinc/26/62/52/372266252.db2.gz HHEINHMWTAXGRW-UHFFFAOYSA-N 1 2 257.381 3.474 20 70 CGIDLO Cc1[nH]ncc1C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000160669024 372266258 /nfs/dbraw/zinc/26/62/58/372266258.db2.gz HHEINHMWTAXGRW-UHFFFAOYSA-N 1 2 257.381 3.474 20 70 CGIDLO Cc1cc(N[C@H]2C=CCCC2)nc(-c2cccnc2)[nH+]1 ZINC000160717706 372269749 /nfs/dbraw/zinc/26/97/49/372269749.db2.gz ZUALDIMOFNXWBF-AWEZNQCLSA-N 1 2 266.348 3.368 20 70 CGIDLO C[N@H+](Cc1cncs1)Cc1ccccc1Cl ZINC000160816353 372277169 /nfs/dbraw/zinc/27/71/69/372277169.db2.gz LLIYSWDMTOOAKA-UHFFFAOYSA-N 1 2 252.770 3.429 20 70 CGIDLO C[N@@H+](Cc1cncs1)Cc1ccccc1Cl ZINC000160816353 372277178 /nfs/dbraw/zinc/27/71/78/372277178.db2.gz LLIYSWDMTOOAKA-UHFFFAOYSA-N 1 2 252.770 3.429 20 70 CGIDLO Cc1ccc(C[N@@H+](C)Cc2cnc3ccc(C)cn23)o1 ZINC000160878972 372285362 /nfs/dbraw/zinc/28/53/62/372285362.db2.gz XRWHHGYEDIZYAM-UHFFFAOYSA-N 1 2 269.348 3.176 20 70 CGIDLO Cc1ccc(C[N@H+](C)Cc2cnc3ccc(C)cn23)o1 ZINC000160878972 372285368 /nfs/dbraw/zinc/28/53/68/372285368.db2.gz XRWHHGYEDIZYAM-UHFFFAOYSA-N 1 2 269.348 3.176 20 70 CGIDLO Cc1ccc(CN(C)Cc2c[nH+]c3ccc(C)cn23)o1 ZINC000160878972 372285372 /nfs/dbraw/zinc/28/53/72/372285372.db2.gz XRWHHGYEDIZYAM-UHFFFAOYSA-N 1 2 269.348 3.176 20 70 CGIDLO C[C@H]1Sc2ccccc2N(Cc2[nH+]ccn2C)[C@H]1C ZINC000161128942 372303933 /nfs/dbraw/zinc/30/39/33/372303933.db2.gz BWIALLCXSNBBIW-NWDGAFQWSA-N 1 2 273.405 3.309 20 70 CGIDLO CCCn1nccc1CNc1ccc(N(CC)CC)[nH+]c1 ZINC000160035512 542153186 /nfs/dbraw/zinc/15/31/86/542153186.db2.gz DVOJHUHDZJNVBE-UHFFFAOYSA-N 1 2 287.411 3.146 20 70 CGIDLO CCOC(C)(C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000159519875 372152426 /nfs/dbraw/zinc/15/24/26/372152426.db2.gz USLRWANAXPKQCM-UHFFFAOYSA-N 1 2 251.374 3.135 20 70 CGIDLO Cc1[nH+]c2cc(NC(=O)c3cc(C(C)C)on3)ccc2n1C ZINC000159687542 372168419 /nfs/dbraw/zinc/16/84/19/372168419.db2.gz YSJRRWUCHRVKCZ-UHFFFAOYSA-N 1 2 298.346 3.245 20 70 CGIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncccc1F ZINC000159711781 372171907 /nfs/dbraw/zinc/17/19/07/372171907.db2.gz BVRWTXYSKOECII-UHFFFAOYSA-N 1 2 296.349 3.102 20 70 CGIDLO CCCc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159711893 372172662 /nfs/dbraw/zinc/17/26/62/372172662.db2.gz QTLHVONHKIYATK-AWEZNQCLSA-N 1 2 283.375 3.037 20 70 CGIDLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)o1 ZINC000160134853 372216322 /nfs/dbraw/zinc/21/63/22/372216322.db2.gz IPNICZKGWMYLGC-AWEZNQCLSA-N 1 2 257.337 3.024 20 70 CGIDLO Cc1cnc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)o1 ZINC000160134853 372216329 /nfs/dbraw/zinc/21/63/29/372216329.db2.gz IPNICZKGWMYLGC-AWEZNQCLSA-N 1 2 257.337 3.024 20 70 CGIDLO Cc1ccc([C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)o1 ZINC000160341541 372239550 /nfs/dbraw/zinc/23/95/50/372239550.db2.gz RDGJDQBMKGJFGB-ZDUSSCGKSA-N 1 2 269.348 3.395 20 70 CGIDLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccccc1Cl ZINC000160825393 372279985 /nfs/dbraw/zinc/27/99/85/372279985.db2.gz GVQRFUXXIJJGCW-UHFFFAOYSA-N 1 2 263.772 3.312 20 70 CGIDLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccccc1Cl ZINC000160825393 372279991 /nfs/dbraw/zinc/27/99/91/372279991.db2.gz GVQRFUXXIJJGCW-UHFFFAOYSA-N 1 2 263.772 3.312 20 70 CGIDLO CCn1nccc1C[N@H+](C)Cc1ccccc1Cl ZINC000160819555 372280002 /nfs/dbraw/zinc/28/00/02/372280002.db2.gz MOEBZTDTNVDABZ-UHFFFAOYSA-N 1 2 263.772 3.188 20 70 CGIDLO CCn1nccc1C[N@@H+](C)Cc1ccccc1Cl ZINC000160819555 372280008 /nfs/dbraw/zinc/28/00/08/372280008.db2.gz MOEBZTDTNVDABZ-UHFFFAOYSA-N 1 2 263.772 3.188 20 70 CGIDLO CC(C)(C)C[C@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000161425791 372323258 /nfs/dbraw/zinc/32/32/58/372323258.db2.gz GCLPREGFJGQJGF-SNVBAGLBSA-N 1 2 276.302 3.309 20 70 CGIDLO COC(=O)C1([NH2+]Cc2cccc(Cl)c2)CCCCC1 ZINC000217096938 572381499 /nfs/dbraw/zinc/38/14/99/572381499.db2.gz HLCVXUXERBCOHM-UHFFFAOYSA-N 1 2 281.783 3.306 20 70 CGIDLO CCSc1ccc([C@H](C)[NH2+]Cc2nc(C)no2)cc1 ZINC000159370546 372135603 /nfs/dbraw/zinc/13/56/03/372135603.db2.gz LFKSPMCPNKFXCA-JTQLQIEISA-N 1 2 277.393 3.341 20 70 CGIDLO C[C@@H](CCn1cccn1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000159424334 372142674 /nfs/dbraw/zinc/14/26/74/372142674.db2.gz PCCSYXYCHBEGIJ-ZDUSSCGKSA-N 1 2 299.353 3.099 20 70 CGIDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)c3cccs3)cn21 ZINC000159656765 372166103 /nfs/dbraw/zinc/16/61/03/372166103.db2.gz VPPNQLJUKLTSOR-GFCCVEGCSA-N 1 2 299.399 3.124 20 70 CGIDLO Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000160375544 372242271 /nfs/dbraw/zinc/24/22/71/372242271.db2.gz VUYDZKHVYJHSLU-KBPBESRZSA-N 1 2 275.396 3.278 20 70 CGIDLO CCC[C@@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)C(C)C ZINC000160377537 372242870 /nfs/dbraw/zinc/24/28/70/372242870.db2.gz DZKWLIHKIJROAK-CYBMUJFWSA-N 1 2 277.412 3.183 20 70 CGIDLO CSCC[C@H](C)[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000160892168 372285964 /nfs/dbraw/zinc/28/59/64/372285964.db2.gz WWALGIOOPFGNIN-JTQLQIEISA-N 1 2 297.449 3.372 20 70 CGIDLO CSCC[C@H](C)[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000160892168 372285968 /nfs/dbraw/zinc/28/59/68/372285968.db2.gz WWALGIOOPFGNIN-JTQLQIEISA-N 1 2 297.449 3.372 20 70 CGIDLO CC[C@@H]([NH2+][C@H](C)c1cccc(OC(C)C)c1)C(=O)OC ZINC000159504286 372151073 /nfs/dbraw/zinc/15/10/73/372151073.db2.gz FZYYFGYYBAVXAR-IUODEOHRSA-N 1 2 279.380 3.076 20 70 CGIDLO CS[C@@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000160565287 372257747 /nfs/dbraw/zinc/25/77/47/372257747.db2.gz NXXGMCNTSYODOA-JTQLQIEISA-N 1 2 293.367 3.092 20 70 CGIDLO CCCN(CC1CC1)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000160894557 372286159 /nfs/dbraw/zinc/28/61/59/372286159.db2.gz ZXUNAIAHIZBMOS-UHFFFAOYSA-N 1 2 282.391 3.473 20 70 CGIDLO COc1ccc2c(c1)C[N@@H+](Cc1nccn1C(C)C)CC2 ZINC000160847838 533260979 /nfs/dbraw/zinc/26/09/79/533260979.db2.gz JKQOXXPYXBPYBJ-UHFFFAOYSA-N 1 2 285.391 3.031 20 70 CGIDLO COc1ccc2c(c1)C[N@H+](Cc1nccn1C(C)C)CC2 ZINC000160847838 533260985 /nfs/dbraw/zinc/26/09/85/533260985.db2.gz JKQOXXPYXBPYBJ-UHFFFAOYSA-N 1 2 285.391 3.031 20 70 CGIDLO COc1ccc2c(c1)CN(Cc1[nH+]ccn1C(C)C)CC2 ZINC000160847838 533260990 /nfs/dbraw/zinc/26/09/90/533260990.db2.gz JKQOXXPYXBPYBJ-UHFFFAOYSA-N 1 2 285.391 3.031 20 70 CGIDLO CCOC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000159516601 372150647 /nfs/dbraw/zinc/15/06/47/372150647.db2.gz LXLTUNPCAZXOKP-VIFPVBQESA-N 1 2 273.735 3.035 20 70 CGIDLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000159516601 372150652 /nfs/dbraw/zinc/15/06/52/372150652.db2.gz LXLTUNPCAZXOKP-VIFPVBQESA-N 1 2 273.735 3.035 20 70 CGIDLO CC(C)(C)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)s1 ZINC000160334853 372239580 /nfs/dbraw/zinc/23/95/80/372239580.db2.gz FUJGTKGVCLFGKH-UHFFFAOYSA-N 1 2 296.417 3.241 20 70 CGIDLO COc1cc(NCc2c(C)[nH+]c3ccccn32)ccc1F ZINC000160024666 372205243 /nfs/dbraw/zinc/20/52/43/372205243.db2.gz LWIUGIFWYDFEJD-UHFFFAOYSA-N 1 2 285.322 3.403 20 70 CGIDLO c1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)n[nH]1 ZINC000160721631 372271816 /nfs/dbraw/zinc/27/18/16/372271816.db2.gz QPHSBBRWXGHKAX-ZDUSSCGKSA-N 1 2 284.388 3.357 20 70 CGIDLO c1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)n[nH]1 ZINC000160721631 372271822 /nfs/dbraw/zinc/27/18/22/372271822.db2.gz QPHSBBRWXGHKAX-ZDUSSCGKSA-N 1 2 284.388 3.357 20 70 CGIDLO CCC(=O)c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC000160754931 372273471 /nfs/dbraw/zinc/27/34/71/372273471.db2.gz LYDKPUBPYRIDDS-HNNXBMFYSA-N 1 2 288.391 3.092 20 70 CGIDLO CCC(=O)c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC000160754931 372273476 /nfs/dbraw/zinc/27/34/76/372273476.db2.gz LYDKPUBPYRIDDS-HNNXBMFYSA-N 1 2 288.391 3.092 20 70 CGIDLO CC[N@H+](Cc1nccn1C)[C@@H](C)c1ccc(F)cc1 ZINC000160807099 372277745 /nfs/dbraw/zinc/27/77/45/372277745.db2.gz OBBLAFXPXKTXDG-LBPRGKRZSA-N 1 2 261.344 3.142 20 70 CGIDLO CC[N@@H+](Cc1nccn1C)[C@@H](C)c1ccc(F)cc1 ZINC000160807099 372277750 /nfs/dbraw/zinc/27/77/50/372277750.db2.gz OBBLAFXPXKTXDG-LBPRGKRZSA-N 1 2 261.344 3.142 20 70 CGIDLO CSCC[C@@H](C)[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000160892291 372285519 /nfs/dbraw/zinc/28/55/19/372285519.db2.gz WWALGIOOPFGNIN-SNVBAGLBSA-N 1 2 297.449 3.372 20 70 CGIDLO CSCC[C@@H](C)[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000160892291 372285526 /nfs/dbraw/zinc/28/55/26/372285526.db2.gz WWALGIOOPFGNIN-SNVBAGLBSA-N 1 2 297.449 3.372 20 70 CGIDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)OC ZINC000159517272 249047248 /nfs/dbraw/zinc/04/72/48/249047248.db2.gz GDLOTIQARIQGBP-JOYOIKCWSA-N 1 2 289.297 3.308 20 70 CGIDLO Cc1ccsc1CCCC(=O)Nc1cc[nH+]cc1O ZINC000161503405 525831665 /nfs/dbraw/zinc/83/16/65/525831665.db2.gz IYWGNWOVZNKNKB-UHFFFAOYSA-N 1 2 276.361 3.119 20 70 CGIDLO Cc1nc(C2([NH2+]Cc3ccc(C)cc3)CCCC2)no1 ZINC000161369566 346175309 /nfs/dbraw/zinc/17/53/09/346175309.db2.gz ZIIDQHFOAVVPDX-UHFFFAOYSA-N 1 2 271.364 3.246 20 70 CGIDLO CC[C@@H]([NH2+][C@@H](C)c1nnc(C)o1)c1ccc(F)cc1F ZINC000161002181 188503023 /nfs/dbraw/zinc/50/30/23/188503023.db2.gz OARDBOKMIDSOEQ-ISVAXAHUSA-N 1 2 281.306 3.458 20 70 CGIDLO CSCCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000159581815 372157284 /nfs/dbraw/zinc/15/72/84/372157284.db2.gz BOWCGHHYZCHIGO-UHFFFAOYSA-N 1 2 289.404 3.344 20 70 CGIDLO Cc1nc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)oc1C ZINC000160148749 372218255 /nfs/dbraw/zinc/21/82/55/372218255.db2.gz CKGVIDSMJYHAIT-HNNXBMFYSA-N 1 2 271.364 3.332 20 70 CGIDLO Cc1nc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)oc1C ZINC000160148749 372218264 /nfs/dbraw/zinc/21/82/64/372218264.db2.gz CKGVIDSMJYHAIT-HNNXBMFYSA-N 1 2 271.364 3.332 20 70 CGIDLO Cc1cc(N[C@H]2C=CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000160712862 372269934 /nfs/dbraw/zinc/26/99/34/372269934.db2.gz XSHYRGXMYXXASB-AWEZNQCLSA-N 1 2 266.348 3.368 20 70 CGIDLO Cc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)s1 ZINC000161366000 346174898 /nfs/dbraw/zinc/17/48/98/346174898.db2.gz KCIANFYRTCIXKF-UHFFFAOYSA-N 1 2 277.393 3.307 20 70 CGIDLO C[C@](O)(CNc1cccc[nH+]1)c1ccccc1Cl ZINC000160185537 372221837 /nfs/dbraw/zinc/22/18/37/372221837.db2.gz CEFRPHZDUPWUFX-AWEZNQCLSA-N 1 2 262.740 3.055 20 70 CGIDLO FC(F)(F)c1cc[nH+]c(N[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000160332529 372239115 /nfs/dbraw/zinc/23/91/15/372239115.db2.gz AISKDABCEULTFS-RYUDHWBXSA-N 1 2 286.297 3.470 20 70 CGIDLO CC[C@H](C)[C@@H](C)[N@H+](Cc1nsc(N(C)C)n1)C1CC1 ZINC000159870189 372189392 /nfs/dbraw/zinc/18/93/92/372189392.db2.gz VHSBBIYXACVZFF-WDEREUQCSA-N 1 2 282.457 3.003 20 70 CGIDLO CC[C@H](C)[C@@H](C)[N@@H+](Cc1nsc(N(C)C)n1)C1CC1 ZINC000159870189 372189398 /nfs/dbraw/zinc/18/93/98/372189398.db2.gz VHSBBIYXACVZFF-WDEREUQCSA-N 1 2 282.457 3.003 20 70 CGIDLO CN(CCCn1cc[nH+]c1)C(=O)CCCSC(C)(C)C ZINC000160479684 372251945 /nfs/dbraw/zinc/25/19/45/372251945.db2.gz ZUJGCKYTLGRSKP-UHFFFAOYSA-N 1 2 297.468 3.044 20 70 CGIDLO CCCCc1noc([C@H](C)[N@H+](CC)Cc2ccccn2)n1 ZINC000161201167 372309870 /nfs/dbraw/zinc/30/98/70/372309870.db2.gz LRVUZQZBYJVXMO-ZDUSSCGKSA-N 1 2 288.395 3.390 20 70 CGIDLO CCCCc1noc([C@H](C)[N@@H+](CC)Cc2ccccn2)n1 ZINC000161201167 372309878 /nfs/dbraw/zinc/30/98/78/372309878.db2.gz LRVUZQZBYJVXMO-ZDUSSCGKSA-N 1 2 288.395 3.390 20 70 CGIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(C(C)C)s1 ZINC000161248958 372313176 /nfs/dbraw/zinc/31/31/76/372313176.db2.gz VZPWLRIAUXFKMJ-CYBMUJFWSA-N 1 2 296.436 3.184 20 70 CGIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(C(C)C)s1 ZINC000161248958 372313180 /nfs/dbraw/zinc/31/31/80/372313180.db2.gz VZPWLRIAUXFKMJ-CYBMUJFWSA-N 1 2 296.436 3.184 20 70 CGIDLO C[C@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CCO1 ZINC000217512170 270085227 /nfs/dbraw/zinc/08/52/27/270085227.db2.gz LMGXQLGGIBUSKC-JTQLQIEISA-N 1 2 290.190 3.093 20 70 CGIDLO C[C@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CCO1 ZINC000217512170 270085228 /nfs/dbraw/zinc/08/52/28/270085228.db2.gz LMGXQLGGIBUSKC-JTQLQIEISA-N 1 2 290.190 3.093 20 70 CGIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCC2=CCCC2)c1 ZINC000160233832 321848521 /nfs/dbraw/zinc/84/85/21/321848521.db2.gz CSIQTFSJYOKMRQ-UHFFFAOYSA-N 1 2 295.386 3.411 20 70 CGIDLO CC[N@H+](Cc1nccn1C(C)C)Cc1ccccc1 ZINC000160678820 521460131 /nfs/dbraw/zinc/46/01/31/521460131.db2.gz ROSAZTNJIQUSLI-UHFFFAOYSA-N 1 2 257.381 3.486 20 70 CGIDLO CC[N@@H+](Cc1nccn1C(C)C)Cc1ccccc1 ZINC000160678820 521460137 /nfs/dbraw/zinc/46/01/37/521460137.db2.gz ROSAZTNJIQUSLI-UHFFFAOYSA-N 1 2 257.381 3.486 20 70 CGIDLO C[C@@H](C1CC1)[N@H+](Cc1csnn1)Cc1ccccc1 ZINC000159682252 372167847 /nfs/dbraw/zinc/16/78/47/372167847.db2.gz JQJKLVVBMZQMRR-LBPRGKRZSA-N 1 2 273.405 3.339 20 70 CGIDLO C[C@@H](C1CC1)[N@@H+](Cc1csnn1)Cc1ccccc1 ZINC000159682252 372167853 /nfs/dbraw/zinc/16/78/53/372167853.db2.gz JQJKLVVBMZQMRR-LBPRGKRZSA-N 1 2 273.405 3.339 20 70 CGIDLO C[C@@](O)(CNc1cccc[nH+]1)c1ccccc1Cl ZINC000160185412 372222708 /nfs/dbraw/zinc/22/27/08/372222708.db2.gz CEFRPHZDUPWUFX-CQSZACIVSA-N 1 2 262.740 3.055 20 70 CGIDLO Cc1cc(NCCCC(=O)OC(C)C)nc(C(C)C)[nH+]1 ZINC000160258572 372231507 /nfs/dbraw/zinc/23/15/07/372231507.db2.gz PTBRLFQUQBOIHU-UHFFFAOYSA-N 1 2 279.384 3.052 20 70 CGIDLO CC(C)c1ccc([C@@H](C)CC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000159865084 372188754 /nfs/dbraw/zinc/18/87/54/372188754.db2.gz OQUUCXDPUAVCDA-ZDUSSCGKSA-N 1 2 285.391 3.343 20 70 CGIDLO CN(CCC1CCOCC1)c1cc(C(F)(F)F)cc[nH+]1 ZINC000160544889 372255494 /nfs/dbraw/zinc/25/54/94/372255494.db2.gz HHMVVVWPFBEJCY-UHFFFAOYSA-N 1 2 288.313 3.353 20 70 CGIDLO Fc1ccc(SCCn2cc[nH+]c2)cc1Cl ZINC000159728413 321840043 /nfs/dbraw/zinc/84/00/43/321840043.db2.gz PCBRDIGOSWAIGW-UHFFFAOYSA-N 1 2 256.733 3.468 20 70 CGIDLO COC(=O)C1([NH2+]Cc2ccc(Cl)cc2)CCCCC1 ZINC000217097192 572859925 /nfs/dbraw/zinc/85/99/25/572859925.db2.gz VLHPCZDINHGAJA-UHFFFAOYSA-N 1 2 281.783 3.306 20 70 CGIDLO C[C@H](CCn1cccn1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000159424456 372142890 /nfs/dbraw/zinc/14/28/90/372142890.db2.gz PCCSYXYCHBEGIJ-CYBMUJFWSA-N 1 2 299.353 3.099 20 70 CGIDLO CCCc1noc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160123909 372216851 /nfs/dbraw/zinc/21/68/51/372216851.db2.gz YFCOIGQPVWZXHT-AWEZNQCLSA-N 1 2 286.379 3.063 20 70 CGIDLO CCCc1noc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160123909 372216857 /nfs/dbraw/zinc/21/68/57/372216857.db2.gz YFCOIGQPVWZXHT-AWEZNQCLSA-N 1 2 286.379 3.063 20 70 CGIDLO CC[N@H+](Cc1ccsc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159914966 372192807 /nfs/dbraw/zinc/19/28/07/372192807.db2.gz NMNSEFVHNRCOPW-UHFFFAOYSA-N 1 2 299.399 3.007 20 70 CGIDLO CC[N@@H+](Cc1ccsc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159914966 372192817 /nfs/dbraw/zinc/19/28/17/372192817.db2.gz NMNSEFVHNRCOPW-UHFFFAOYSA-N 1 2 299.399 3.007 20 70 CGIDLO CCOC(=O)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000218749748 270085458 /nfs/dbraw/zinc/08/54/58/270085458.db2.gz BVAUUQGYHPHTNH-HUUCEWRRSA-N 1 2 275.392 3.459 20 70 CGIDLO Cc1[nH]ncc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000161070598 526546785 /nfs/dbraw/zinc/54/67/85/526546785.db2.gz RCVDVLJPBOREGR-UHFFFAOYSA-N 1 2 296.374 3.239 20 70 CGIDLO Cc1nn(C)cc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000159586797 372158581 /nfs/dbraw/zinc/15/85/81/372158581.db2.gz XYCHKMURCPIEDO-GOSISDBHSA-N 1 2 292.386 3.003 20 70 CGIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(C(C)C)o2)n1 ZINC000160384841 372242118 /nfs/dbraw/zinc/24/21/18/372242118.db2.gz NBPRXHJXWUWPHY-AWEZNQCLSA-N 1 2 286.379 3.234 20 70 CGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(C(C)C)o2)n1 ZINC000160384841 372242133 /nfs/dbraw/zinc/24/21/33/372242133.db2.gz NBPRXHJXWUWPHY-AWEZNQCLSA-N 1 2 286.379 3.234 20 70 CGIDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccccc2Cl)n1 ZINC000160539169 372256403 /nfs/dbraw/zinc/25/64/03/372256403.db2.gz QHQNZXGFWYRHKA-JTQLQIEISA-N 1 2 291.782 3.249 20 70 CGIDLO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccccc2Cl)n1 ZINC000160539286 372256672 /nfs/dbraw/zinc/25/66/72/372256672.db2.gz QHQNZXGFWYRHKA-SNVBAGLBSA-N 1 2 291.782 3.249 20 70 CGIDLO Cn1nccc1C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000160660413 372266102 /nfs/dbraw/zinc/26/61/02/372266102.db2.gz FKLMDNRGMXNNHP-UHFFFAOYSA-N 1 2 287.388 3.277 20 70 CGIDLO Cn1nccc1C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000160660413 372266106 /nfs/dbraw/zinc/26/61/06/372266106.db2.gz FKLMDNRGMXNNHP-UHFFFAOYSA-N 1 2 287.388 3.277 20 70 CGIDLO Cc1c[nH+]ccc1NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000159389437 321834413 /nfs/dbraw/zinc/83/44/13/321834413.db2.gz ALXNOWTYQNRSJU-UHFFFAOYSA-N 1 2 299.355 3.288 20 70 CGIDLO CC[C@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)OC ZINC000159517393 535941348 /nfs/dbraw/zinc/94/13/48/535941348.db2.gz GDLOTIQARIQGBP-SKDRFNHKSA-N 1 2 289.297 3.308 20 70 CGIDLO COc1ccc([NH2+][C@@H](C)CCn2cccn2)c(C)c1 ZINC000159405963 372138903 /nfs/dbraw/zinc/13/89/03/372138903.db2.gz VCMNATSQBGPJQU-ZDUSSCGKSA-N 1 2 259.353 3.091 20 70 CGIDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC(C)C)c1)C(=O)OC ZINC000159504055 372151021 /nfs/dbraw/zinc/15/10/21/372151021.db2.gz FZYYFGYYBAVXAR-SWLSCSKDSA-N 1 2 279.380 3.076 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(Cl)s2)n1 ZINC000160552461 372258230 /nfs/dbraw/zinc/25/82/30/372258230.db2.gz PDZNVOLQHPKXOH-UHFFFAOYSA-N 1 2 297.811 3.092 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(Cl)s2)n1 ZINC000160552461 372258238 /nfs/dbraw/zinc/25/82/38/372258238.db2.gz PDZNVOLQHPKXOH-UHFFFAOYSA-N 1 2 297.811 3.092 20 70 CGIDLO CCOc1cccc(C[N@H+](C)Cc2ccc(C)o2)n1 ZINC000160859795 372283610 /nfs/dbraw/zinc/28/36/10/372283610.db2.gz QQIUYKVPDZEJDA-UHFFFAOYSA-N 1 2 260.337 3.014 20 70 CGIDLO CCOc1cccc(C[N@@H+](C)Cc2ccc(C)o2)n1 ZINC000160859795 372283617 /nfs/dbraw/zinc/28/36/17/372283617.db2.gz QQIUYKVPDZEJDA-UHFFFAOYSA-N 1 2 260.337 3.014 20 70 CGIDLO C[NH+]1CCN(Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000218043571 376183461 /nfs/dbraw/zinc/18/34/61/376183461.db2.gz YBASUIQUNBRBGT-UHFFFAOYSA-N 1 2 290.407 3.302 20 70 CGIDLO CC[C@@H](NC(=O)c1ccc(Cl)cc1C)c1[nH]cc[nH+]1 ZINC000218079817 376185134 /nfs/dbraw/zinc/18/51/34/376185134.db2.gz RGPZGWKDOWYZEX-GFCCVEGCSA-N 1 2 277.755 3.253 20 70 CGIDLO O=C(/C=C\c1c(Cl)cccc1Cl)NCc1[nH]cc[nH+]1 ZINC000216999288 262049625 /nfs/dbraw/zinc/04/96/25/262049625.db2.gz RMDNKHYJKLKDIR-PLNGDYQASA-N 1 2 296.157 3.046 20 70 CGIDLO COc1cc(C)ccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000160521314 372254411 /nfs/dbraw/zinc/25/44/11/372254411.db2.gz UCWGLMAUCYQQBQ-UHFFFAOYSA-N 1 2 269.348 3.283 20 70 CGIDLO CC1(C)C[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)CCO1 ZINC000160677342 372267922 /nfs/dbraw/zinc/26/79/22/372267922.db2.gz KVRWUOFVQHDKTA-SNVBAGLBSA-N 1 2 274.286 3.470 20 70 CGIDLO CCCC1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000160727309 372270617 /nfs/dbraw/zinc/27/06/17/372270617.db2.gz MUJICZWBVVBFNF-UHFFFAOYSA-N 1 2 283.375 3.182 20 70 CGIDLO CC(C)n1cc[nH+]c1CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000160850979 372281687 /nfs/dbraw/zinc/28/16/87/372281687.db2.gz JPIHDFLJCVFRMT-NVXWUHKLSA-N 1 2 299.418 3.426 20 70 CGIDLO O[C@@H](C[C@@H]1CCCN1c1cccc[nH+]1)c1ccc(F)cc1 ZINC000161146371 372305732 /nfs/dbraw/zinc/30/57/32/372305732.db2.gz YXFGQSIKBAGVGY-HOTGVXAUSA-N 1 2 286.350 3.313 20 70 CGIDLO COC(=O)C1([NH2+]CCc2ccccc2Cl)CCCCC1 ZINC000217095887 287628518 /nfs/dbraw/zinc/62/85/18/287628518.db2.gz QJFLEGJHGUXUCS-UHFFFAOYSA-N 1 2 295.810 3.348 20 70 CGIDLO Cc1cccn2cc(CNC(=O)[C@@H](C)c3ccsc3)[nH+]c12 ZINC000159474818 346167880 /nfs/dbraw/zinc/16/78/80/346167880.db2.gz TXXTWGBCOYPGQN-LBPRGKRZSA-N 1 2 299.399 3.124 20 70 CGIDLO Clc1ccc2oc(SCCn3cc[nH+]c3)nc2c1 ZINC000159400061 372139751 /nfs/dbraw/zinc/13/97/51/372139751.db2.gz JPXQHMHZPDLLAM-UHFFFAOYSA-N 1 2 279.752 3.470 20 70 CGIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000159977378 372200041 /nfs/dbraw/zinc/20/00/41/372200041.db2.gz WDJJGQOAOBLVTN-AWEZNQCLSA-N 1 2 297.439 3.142 20 70 CGIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)[nH]1 ZINC000160448052 372248563 /nfs/dbraw/zinc/24/85/63/372248563.db2.gz TWFQKJLWJZUFNB-MRVPVSSYSA-N 1 2 282.750 3.010 20 70 CGIDLO CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000160816943 372279014 /nfs/dbraw/zinc/27/90/14/372279014.db2.gz WMDSCLZERYISCR-GOEBONIOSA-N 1 2 269.348 3.247 20 70 CGIDLO CC(C)(C)C[C@@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000161425671 372323753 /nfs/dbraw/zinc/32/37/53/372323753.db2.gz GCLPREGFJGQJGF-JTQLQIEISA-N 1 2 276.302 3.309 20 70 CGIDLO c1ccc2[nH+]c(NCCCOCC3CC3)ccc2c1 ZINC000218648753 392998339 /nfs/dbraw/zinc/99/83/39/392998339.db2.gz LRIRBJIAFXUUME-UHFFFAOYSA-N 1 2 256.349 3.463 20 70 CGIDLO O=C(/C=C\c1cc(Cl)cc(Cl)c1)NCc1[nH]cc[nH+]1 ZINC000217008673 262276082 /nfs/dbraw/zinc/27/60/82/262276082.db2.gz GKWBCBYMDDWSPK-UPHRSURJSA-N 1 2 296.157 3.046 20 70 CGIDLO COc1cc(C)ccc1[NH2+][C@H](C)CCn1cccn1 ZINC000159423232 372143111 /nfs/dbraw/zinc/14/31/11/372143111.db2.gz FXKUFDPSFHUXJG-CYBMUJFWSA-N 1 2 259.353 3.091 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000160549160 372258046 /nfs/dbraw/zinc/25/80/46/372258046.db2.gz KPAHWNFCLSDQOI-LBPRGKRZSA-N 1 2 289.404 3.143 20 70 CGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000160549160 372258051 /nfs/dbraw/zinc/25/80/51/372258051.db2.gz KPAHWNFCLSDQOI-LBPRGKRZSA-N 1 2 289.404 3.143 20 70 CGIDLO Cc1ccc([C@@H]([NH2+]Cc2nncn2C)c2ccccc2)cc1 ZINC000160695680 372268267 /nfs/dbraw/zinc/26/82/67/372268267.db2.gz KWKYDQSVHUSUHX-SFHVURJKSA-N 1 2 292.386 3.003 20 70 CGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000161101801 372302052 /nfs/dbraw/zinc/30/20/52/372302052.db2.gz HLEPMHRVLIGSOO-LBPRGKRZSA-N 1 2 288.395 3.345 20 70 CGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000161101801 372302054 /nfs/dbraw/zinc/30/20/54/372302054.db2.gz HLEPMHRVLIGSOO-LBPRGKRZSA-N 1 2 288.395 3.345 20 70 CGIDLO CC[N@H+](Cc1cnn(C)c1)Cc1csc(C(C)C)n1 ZINC000161124066 372304540 /nfs/dbraw/zinc/30/45/40/372304540.db2.gz HNNIBPYUIWGGEQ-UHFFFAOYSA-N 1 2 278.425 3.022 20 70 CGIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1csc(C(C)C)n1 ZINC000161124066 372304547 /nfs/dbraw/zinc/30/45/47/372304547.db2.gz HNNIBPYUIWGGEQ-UHFFFAOYSA-N 1 2 278.425 3.022 20 70 CGIDLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000161394850 521624287 /nfs/dbraw/zinc/62/42/87/521624287.db2.gz XHGXSGIDGJDLEY-MRXNPFEDSA-N 1 2 299.422 3.037 20 70 CGIDLO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000161394850 521624289 /nfs/dbraw/zinc/62/42/89/521624289.db2.gz XHGXSGIDGJDLEY-MRXNPFEDSA-N 1 2 299.422 3.037 20 70 CGIDLO CN(CCCn1cc[nH+]c1)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000160066846 372208216 /nfs/dbraw/zinc/20/82/16/372208216.db2.gz JGTQPLDFPACBOK-OAHLLOKOSA-N 1 2 291.439 3.338 20 70 CGIDLO CCOC1CC(Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000160201648 372224133 /nfs/dbraw/zinc/22/41/33/372224133.db2.gz RYNTUMSMSPIVKB-UHFFFAOYSA-N 1 2 275.396 3.051 20 70 CGIDLO CS[C@H](C)CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000160322081 372237439 /nfs/dbraw/zinc/23/74/39/372237439.db2.gz HQBVAKZXDOMKKN-LLVKDONJSA-N 1 2 289.404 3.167 20 70 CGIDLO CC[C@@H](C)[C@H](C)[N@H+](Cc1nsc(N(C)C)n1)C1CC1 ZINC000159870316 372189334 /nfs/dbraw/zinc/18/93/34/372189334.db2.gz VHSBBIYXACVZFF-MNOVXSKESA-N 1 2 282.457 3.003 20 70 CGIDLO CC[C@@H](C)[C@H](C)[N@@H+](Cc1nsc(N(C)C)n1)C1CC1 ZINC000159870316 372189338 /nfs/dbraw/zinc/18/93/38/372189338.db2.gz VHSBBIYXACVZFF-MNOVXSKESA-N 1 2 282.457 3.003 20 70 CGIDLO Cc1[nH+]c2ccccn2c1CSc1ccncc1 ZINC000159994221 372201375 /nfs/dbraw/zinc/20/13/75/372201375.db2.gz TVKNUQRKXGGVDX-UHFFFAOYSA-N 1 2 255.346 3.330 20 70 CGIDLO CCOc1ccc([NH2+]C2CCC(NC(C)=O)CC2)c(C)c1 ZINC000161079419 372300189 /nfs/dbraw/zinc/30/01/89/372300189.db2.gz VRHQWFMYDAJEBD-UHFFFAOYSA-N 1 2 290.407 3.253 20 70 CGIDLO CCCC1(C[NH2+][C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000160774103 372275085 /nfs/dbraw/zinc/27/50/85/372275085.db2.gz ZQISVCHAOCNORN-CQSZACIVSA-N 1 2 261.365 3.071 20 70 CGIDLO Cc1nn(C)cc1C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000161337667 372317248 /nfs/dbraw/zinc/31/72/48/372317248.db2.gz OJYQDIKETCRJOC-OAHLLOKOSA-N 1 2 298.415 3.064 20 70 CGIDLO COc1ccc2c(c1)[nH+]ccc2OCc1nccs1 ZINC000161370878 533313445 /nfs/dbraw/zinc/31/34/45/533313445.db2.gz HHMBKRSZZHLERA-UHFFFAOYSA-N 1 2 272.329 3.279 20 70 CGIDLO COc1ccccc1CC(C)(C)Nc1cc[nH+]c(C)n1 ZINC000160448716 321851740 /nfs/dbraw/zinc/85/17/40/321851740.db2.gz IRIHKTSQXFPRHW-UHFFFAOYSA-N 1 2 271.364 3.227 20 70 CGIDLO Cn1nccc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000160712879 527607991 /nfs/dbraw/zinc/60/79/91/527607991.db2.gz VNYHIYVKVMRBHL-AWEZNQCLSA-N 1 2 298.415 3.367 20 70 CGIDLO Cn1nccc1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000160712879 527607997 /nfs/dbraw/zinc/60/79/97/527607997.db2.gz VNYHIYVKVMRBHL-AWEZNQCLSA-N 1 2 298.415 3.367 20 70 CGIDLO Cc1[nH+]c2cc(NC(=O)CCCn3cccc3)ccc2n1C ZINC000159745709 372175650 /nfs/dbraw/zinc/17/56/50/372175650.db2.gz PIZPAZRVMWNLEO-UHFFFAOYSA-N 1 2 296.374 3.102 20 70 CGIDLO Cc1nc(N[C@H]2CCO[C@H](C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000160374958 372243000 /nfs/dbraw/zinc/24/30/00/372243000.db2.gz YMIRJTOGIVDHGB-BBRMVZONSA-N 1 2 287.407 3.033 20 70 CGIDLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)no1 ZINC000159886485 372190869 /nfs/dbraw/zinc/19/08/69/372190869.db2.gz PKVRJONTWWTADK-OAHLLOKOSA-N 1 2 257.337 3.024 20 70 CGIDLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)no1 ZINC000159886485 372190879 /nfs/dbraw/zinc/19/08/79/372190879.db2.gz PKVRJONTWWTADK-OAHLLOKOSA-N 1 2 257.337 3.024 20 70 CGIDLO CC[C@@H](C)N(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000160439048 372247466 /nfs/dbraw/zinc/24/74/66/372247466.db2.gz PTZHHFUMHGMDJN-GFCCVEGCSA-N 1 2 256.353 3.082 20 70 CGIDLO O=C(/C=C\c1cc(Cl)ccc1Cl)NCc1[nH]cc[nH+]1 ZINC000217006942 262274933 /nfs/dbraw/zinc/27/49/33/262274933.db2.gz DXDHSJQAIRNZSE-RJRFIUFISA-N 1 2 296.157 3.046 20 70 CGIDLO CC1(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CCC1 ZINC000159902663 278470970 /nfs/dbraw/zinc/47/09/70/278470970.db2.gz IZRGZCXHNILJAA-UHFFFAOYSA-N 1 2 279.347 3.170 20 70 CGIDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccnc1 ZINC000160731126 525564894 /nfs/dbraw/zinc/56/48/94/525564894.db2.gz DIHAHGFBAGDXRK-GFCCVEGCSA-N 1 2 296.399 3.451 20 70 CGIDLO