smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc([C@@]2(Cn3cc[nH+]c3)CO2)c(Cl)c1 ZINC000003944782 368524330 /nfs/dbraw/zinc/52/43/30/368524330.db2.gz ZAVMDRXJGWFIHI-GFCCVEGCSA-N 1 2 269.131 3.116 40 0 CGABLO Cc1ccccc1OCCCn1c[nH+]cc1-c1cnn(C)c1 ZINC000019719494 368760386 /nfs/dbraw/zinc/76/03/86/368760386.db2.gz DCDGUUWZJZRZSQ-UHFFFAOYSA-N 1 2 296.374 3.061 40 0 CGABLO c1nc2ccccc2n1CCc1[nH]c2ccccc2[nH+]1 ZINC000034353933 368974239 /nfs/dbraw/zinc/97/42/39/368974239.db2.gz DZINFOHGHFCLTR-UHFFFAOYSA-N 1 2 262.316 3.155 40 0 CGABLO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1F ZINC000257228170 190016474 /nfs/dbraw/zinc/01/64/74/190016474.db2.gz FSPXSQIHGBEBTB-CQSZACIVSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1cccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1F ZINC000257228170 190016475 /nfs/dbraw/zinc/01/64/75/190016475.db2.gz FSPXSQIHGBEBTB-CQSZACIVSA-N 1 2 275.302 3.092 40 0 CGABLO CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC000257299163 190029907 /nfs/dbraw/zinc/02/99/07/190029907.db2.gz ROZBVZWPSWJHMB-GOSISDBHSA-N 1 2 298.386 3.054 40 0 CGABLO CCOc1ccccc1C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC000257299163 190029908 /nfs/dbraw/zinc/02/99/08/190029908.db2.gz ROZBVZWPSWJHMB-GOSISDBHSA-N 1 2 298.386 3.054 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccccc2Cl)[nH+]1 ZINC000257304499 190030143 /nfs/dbraw/zinc/03/01/43/190030143.db2.gz SLYGAKODHBNWCR-CYBMUJFWSA-N 1 2 289.766 3.349 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc(C)s2)[nH+]1 ZINC000257301570 190030457 /nfs/dbraw/zinc/03/04/57/190030457.db2.gz RZAKPQBTWRNPMT-LLVKDONJSA-N 1 2 275.377 3.065 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)C=Cc2ccccc2)[nH+]1 ZINC000257305287 190031176 /nfs/dbraw/zinc/03/11/76/190031176.db2.gz SPGVARYWQRIHSU-FEAKQIBJSA-N 1 2 281.359 3.095 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)C=Cc3ccccc3)C2)[nH+]1 ZINC000257326080 190034047 /nfs/dbraw/zinc/03/40/47/190034047.db2.gz WVSLXXHBFWHHDY-SCOAYWHSSA-N 1 2 295.386 3.138 40 0 CGABLO CC[NH+](CC)c1ccc(N)cc1C(=O)N1CCCC[C@H]1C ZINC000226323700 376351685 /nfs/dbraw/zinc/35/16/85/376351685.db2.gz UPFDXULHYYDEBX-CYBMUJFWSA-N 1 2 289.423 3.130 40 0 CGABLO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000257200708 377796504 /nfs/dbraw/zinc/79/65/04/377796504.db2.gz AEOUWERWRWRKFM-OAHLLOKOSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1ccc(C)nc1 ZINC000257200708 377796511 /nfs/dbraw/zinc/79/65/11/377796511.db2.gz AEOUWERWRWRKFM-OAHLLOKOSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000257200708 377796517 /nfs/dbraw/zinc/79/65/17/377796517.db2.gz AEOUWERWRWRKFM-OAHLLOKOSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1ccc(C)nc1 ZINC000257200708 377796524 /nfs/dbraw/zinc/79/65/24/377796524.db2.gz AEOUWERWRWRKFM-OAHLLOKOSA-N 1 2 270.380 3.149 40 0 CGABLO CC(C)n1cc(C[NH2+]Cc2csc(C3CC3)n2)cn1 ZINC000095093904 392243060 /nfs/dbraw/zinc/24/30/60/392243060.db2.gz AQLWEELIHAMMGX-UHFFFAOYSA-N 1 2 276.409 3.088 40 0 CGABLO CNc1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212534 392197248 /nfs/dbraw/zinc/19/72/48/392197248.db2.gz JNLCLPZZRQRADX-LBPRGKRZSA-N 1 2 277.368 3.195 40 0 CGABLO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000008583016 397603760 /nfs/dbraw/zinc/60/37/60/397603760.db2.gz QNWAJVPERWMXJQ-UHFFFAOYSA-N 1 2 293.374 3.114 40 0 CGABLO CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1[nH]ncc1C ZINC000072366784 176381752 /nfs/dbraw/zinc/38/17/52/176381752.db2.gz NVUBOZCBORIQIZ-OAHLLOKOSA-N 1 2 285.391 3.454 40 0 CGABLO CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1[nH]ncc1C ZINC000072366784 176381753 /nfs/dbraw/zinc/38/17/53/176381753.db2.gz NVUBOZCBORIQIZ-OAHLLOKOSA-N 1 2 285.391 3.454 40 0 CGABLO CC(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2C(C)C)n1 ZINC000072378966 176385986 /nfs/dbraw/zinc/38/59/86/176385986.db2.gz QUKCFSQAYZUNRJ-HNNXBMFYSA-N 1 2 298.390 3.074 40 0 CGABLO Cc1cc(N2CCC[C@@H](C)C2)[nH+]c2c(N)cccc12 ZINC000685937909 544110265 /nfs/dbraw/zinc/11/02/65/544110265.db2.gz ALXYPIJNKCICQX-LLVKDONJSA-N 1 2 255.365 3.362 40 0 CGABLO S=C(Nc1cc[nH+]cc1)NC1(c2ccccn2)CCCC1 ZINC000225874442 304849129 /nfs/dbraw/zinc/84/91/29/304849129.db2.gz MDRACSSYBLYPDE-UHFFFAOYSA-N 1 2 298.415 3.233 40 0 CGABLO c1cn2c([nH+]1)CN(Cc1cscn1)[C@H](c1ccccc1)C2 ZINC000257315901 304859885 /nfs/dbraw/zinc/85/98/85/304859885.db2.gz VDEUKROEIWGAGY-HNNXBMFYSA-N 1 2 296.399 3.097 40 0 CGABLO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000095534845 185007897 /nfs/dbraw/zinc/00/78/97/185007897.db2.gz YUJOXFMKTKXHPL-CQSZACIVSA-N 1 2 298.777 3.368 40 0 CGABLO CNc1nc(Nc2ccc(F)cc2C)cc(C2CC2)[nH+]1 ZINC000329000647 202146830 /nfs/dbraw/zinc/14/68/30/202146830.db2.gz KANMSWINJKAGCF-UHFFFAOYSA-N 1 2 272.327 3.009 40 0 CGABLO Oc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1 ZINC000012188496 368605107 /nfs/dbraw/zinc/60/51/07/368605107.db2.gz PXXYAEVJBPDGBX-OAHLLOKOSA-N 1 2 299.761 3.232 40 0 CGABLO CN(C)c1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221350 368606753 /nfs/dbraw/zinc/60/67/53/368606753.db2.gz SYKYONKFRDFICH-UHFFFAOYSA-N 1 2 299.765 3.253 40 0 CGABLO S=C(NCc1ccccc1Cl)Nc1cc[nH+]cc1 ZINC000066167281 369689911 /nfs/dbraw/zinc/68/99/11/369689911.db2.gz MQOBFGDBRKIBFR-UHFFFAOYSA-N 1 2 277.780 3.222 40 0 CGABLO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000257212018 190013170 /nfs/dbraw/zinc/01/31/70/190013170.db2.gz CBOSETXNGDZEHB-LBPRGKRZSA-N 1 2 298.365 3.328 40 0 CGABLO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000257212018 190013171 /nfs/dbraw/zinc/01/31/71/190013171.db2.gz CBOSETXNGDZEHB-LBPRGKRZSA-N 1 2 298.365 3.328 40 0 CGABLO CNc1cc([C@@H]2CCCN2C(=O)CC2CCCC2)cc[nH+]1 ZINC000257234288 190016617 /nfs/dbraw/zinc/01/66/17/190016617.db2.gz GSWSCSVEKXACQG-HNNXBMFYSA-N 1 2 287.407 3.367 40 0 CGABLO Cc1cc(CC2CCN(C(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000257217438 190014053 /nfs/dbraw/zinc/01/40/53/190014053.db2.gz CYYATQBZYDAXLY-UHFFFAOYSA-N 1 2 294.398 3.485 40 0 CGABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2F)n1 ZINC000257276473 190025055 /nfs/dbraw/zinc/02/50/55/190025055.db2.gz NTWNJCLPFJYPIG-HNNXBMFYSA-N 1 2 289.329 3.400 40 0 CGABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2F)n1 ZINC000257276473 190025056 /nfs/dbraw/zinc/02/50/56/190025056.db2.gz NTWNJCLPFJYPIG-HNNXBMFYSA-N 1 2 289.329 3.400 40 0 CGABLO CCCn1ccnc1C[N@@H+]1CCC[C@@H](Cc2ccccn2)C1 ZINC000257324312 190034181 /nfs/dbraw/zinc/03/41/81/190034181.db2.gz WOCUSAGYXKFXKI-INIZCTEOSA-N 1 2 298.434 3.143 40 0 CGABLO CCCn1ccnc1C[N@H+]1CCC[C@@H](Cc2ccccn2)C1 ZINC000257324312 190034182 /nfs/dbraw/zinc/03/41/82/190034182.db2.gz WOCUSAGYXKFXKI-INIZCTEOSA-N 1 2 298.434 3.143 40 0 CGABLO CC[C@@H](O)c1c[nH+]c(N2CCc3ccccc3C2)c(C)c1 ZINC000072222848 392201720 /nfs/dbraw/zinc/20/17/20/392201720.db2.gz VJUVVCCDLACGIG-QGZVFWFLSA-N 1 2 282.387 3.396 40 0 CGABLO C=Cn1ncc(C[N@@H+]2CCn3cccc3[C@H]2CCC)c1C ZINC000072397947 176395432 /nfs/dbraw/zinc/39/54/32/176395432.db2.gz ZZOHFESKVROANI-MRXNPFEDSA-N 1 2 284.407 3.451 40 0 CGABLO C=Cn1ncc(C[N@H+]2CCn3cccc3[C@H]2CCC)c1C ZINC000072397947 176395433 /nfs/dbraw/zinc/39/54/33/176395433.db2.gz ZZOHFESKVROANI-MRXNPFEDSA-N 1 2 284.407 3.451 40 0 CGABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[NH+]1CCCCC1 ZINC000216864463 262341204 /nfs/dbraw/zinc/34/12/04/262341204.db2.gz WSRJUBMKBNIVNQ-UHFFFAOYSA-N 1 2 275.396 3.162 40 0 CGABLO Brc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000001090302 275373225 /nfs/dbraw/zinc/37/32/25/275373225.db2.gz JCMXJUIZQNBFRI-UHFFFAOYSA-N 1 2 263.138 3.259 40 0 CGABLO CC(C)C(=O)Nc1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000226253447 136386519 /nfs/dbraw/zinc/38/65/19/136386519.db2.gz AFRKSNUBYSWMJS-UHFFFAOYSA-N 1 2 275.396 3.100 40 0 CGABLO Nc1nc2ccc(Cc3[nH]c4ccccc4[nH+]3)cc2s1 ZINC000000809908 368395995 /nfs/dbraw/zinc/39/59/95/368395995.db2.gz CRIMBEUYDJAWRB-UHFFFAOYSA-N 1 2 280.356 3.346 40 0 CGABLO O=c1oc2ccc(Cl)cc2n1C[NH+]1CCCCCC1 ZINC000000562023 368387669 /nfs/dbraw/zinc/38/76/69/368387669.db2.gz GIAATTRXBBZUFA-UHFFFAOYSA-N 1 2 280.755 3.081 40 0 CGABLO CCSc1nc(Nc2cc(C)ccc2OC)cc(N)[nH+]1 ZINC000049467547 369402079 /nfs/dbraw/zinc/40/20/79/369402079.db2.gz AIIZCSQWSODYAS-UHFFFAOYSA-N 1 2 290.392 3.231 40 0 CGABLO Fc1cccc(F)c1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC000257227913 190016317 /nfs/dbraw/zinc/01/63/17/190016317.db2.gz FRNWPTOIOAEFQX-HNNXBMFYSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1cccc(F)c1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC000257227913 190016318 /nfs/dbraw/zinc/01/63/18/190016318.db2.gz FRNWPTOIOAEFQX-HNNXBMFYSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC000257227914 190016410 /nfs/dbraw/zinc/01/64/10/190016410.db2.gz FRNWPTOIOAEFQX-OAHLLOKOSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1cccc(F)c1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC000257227914 190016411 /nfs/dbraw/zinc/01/64/11/190016411.db2.gz FRNWPTOIOAEFQX-OAHLLOKOSA-N 1 2 275.302 3.092 40 0 CGABLO Cc1cnc(C2(C)CC[NH+](Cc3cscn3)CC2)s1 ZINC000257246005 190019420 /nfs/dbraw/zinc/01/94/20/190019420.db2.gz ISAUQGBZARRCAH-UHFFFAOYSA-N 1 2 293.461 3.462 40 0 CGABLO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)c(F)c1 ZINC000257267309 190023542 /nfs/dbraw/zinc/02/35/42/190023542.db2.gz MGSPMQQIZKTMQO-INIZCTEOSA-N 1 2 289.329 3.482 40 0 CGABLO Fc1ccc(C[N@H+]2CCCC[C@H]2c2ccncn2)c(F)c1 ZINC000257267309 190023543 /nfs/dbraw/zinc/02/35/43/190023543.db2.gz MGSPMQQIZKTMQO-INIZCTEOSA-N 1 2 289.329 3.482 40 0 CGABLO Cc1cn2c(cccc2C2CCN(C(=O)C(C)(C)C)CC2)[nH+]1 ZINC000257313575 190031864 /nfs/dbraw/zinc/03/18/64/190031864.db2.gz UTFYDROKHFTGRS-UHFFFAOYSA-N 1 2 299.418 3.395 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)C=Cc3ccccc3)C2)[nH+]1 ZINC000257326081 190033970 /nfs/dbraw/zinc/03/39/70/190033970.db2.gz WVSLXXHBFWHHDY-ZNFPLGDCSA-N 1 2 295.386 3.138 40 0 CGABLO CC(C)[N@@H+]1CCC[C@@H](c2cccc(-c3cncn3C)n2)C1 ZINC000257326008 190034424 /nfs/dbraw/zinc/03/44/24/190034424.db2.gz WVJOIDWDZSEMHB-CQSZACIVSA-N 1 2 284.407 3.070 40 0 CGABLO CC(C)[N@H+]1CCC[C@@H](c2cccc(-c3cncn3C)n2)C1 ZINC000257326008 190034425 /nfs/dbraw/zinc/03/44/25/190034425.db2.gz WVJOIDWDZSEMHB-CQSZACIVSA-N 1 2 284.407 3.070 40 0 CGABLO O=C(c1ccccc1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257341835 190037251 /nfs/dbraw/zinc/03/72/51/190037251.db2.gz ZMCZECOVSUAFOC-INIZCTEOSA-N 1 2 291.354 3.312 40 0 CGABLO Cc1ccc([C@H](C)NC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225471111 376313318 /nfs/dbraw/zinc/31/33/18/376313318.db2.gz OBSUINKKKWEQPO-LBPRGKRZSA-N 1 2 271.389 3.438 40 0 CGABLO Cc1ccc([C@@H](C)NC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225471068 376313450 /nfs/dbraw/zinc/31/34/50/376313450.db2.gz OBSUINKKKWEQPO-GFCCVEGCSA-N 1 2 271.389 3.438 40 0 CGABLO C[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(F)cc1 ZINC000225179264 376297389 /nfs/dbraw/zinc/29/73/89/376297389.db2.gz NNPBXNMGWMSCOU-SNVBAGLBSA-N 1 2 275.352 3.268 40 0 CGABLO O=C(Nc1ccccc1)[C@@H](c1ccccc1)n1cc[nH+]c1 ZINC000408734122 380023345 /nfs/dbraw/zinc/02/33/45/380023345.db2.gz KLTHZAAFJHWCQE-MRXNPFEDSA-N 1 2 277.327 3.111 40 0 CGABLO CC(=O)N1CCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216636 392200132 /nfs/dbraw/zinc/20/01/32/392200132.db2.gz CBHSEXGZKOHVEO-INIZCTEOSA-N 1 2 287.407 3.145 40 0 CGABLO Cc1cc(N2CCCC2)[nH+]cc1C(=O)c1ccccc1 ZINC000072223472 392202870 /nfs/dbraw/zinc/20/28/70/392202870.db2.gz MGQQAJLVYLMYGV-UHFFFAOYSA-N 1 2 266.344 3.221 40 0 CGABLO COC(=O)c1ccc(Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000004941454 170043366 /nfs/dbraw/zinc/04/33/66/170043366.db2.gz CLMFVZWFRYXBBL-UHFFFAOYSA-N 1 2 280.327 3.180 40 0 CGABLO Fc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000072366797 176381728 /nfs/dbraw/zinc/38/17/28/176381728.db2.gz PZIQHFBEHBPNIF-AWEZNQCLSA-N 1 2 263.291 3.025 40 0 CGABLO Fc1ccc(F)c(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000072366797 176381729 /nfs/dbraw/zinc/38/17/29/176381729.db2.gz PZIQHFBEHBPNIF-AWEZNQCLSA-N 1 2 263.291 3.025 40 0 CGABLO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(N3CCCC3)c12 ZINC000005017327 280224279 /nfs/dbraw/zinc/22/42/79/280224279.db2.gz HCOBIXAOVWDRAU-UHFFFAOYSA-N 1 2 296.374 3.290 40 0 CGABLO Nc1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212453 295372236 /nfs/dbraw/zinc/37/22/36/295372236.db2.gz RAIADHLIICXRAW-HNNXBMFYSA-N 1 2 281.359 3.031 40 0 CGABLO CNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212473 290842427 /nfs/dbraw/zinc/84/24/27/290842427.db2.gz RZYMWGWREXBVQI-GFCCVEGCSA-N 1 2 277.368 3.195 40 0 CGABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000328986226 202142227 /nfs/dbraw/zinc/14/22/27/202142227.db2.gz HWXCLUNDXYXERM-UHFFFAOYSA-N 1 2 294.402 3.133 40 0 CGABLO CNc1nc(Nc2ccc(F)c(C)c2)cc(C2CC2)[nH+]1 ZINC000329006803 202149263 /nfs/dbraw/zinc/14/92/63/202149263.db2.gz LFTNSKXOKWIDSZ-UHFFFAOYSA-N 1 2 272.327 3.009 40 0 CGABLO Clc1ccc([C@]2(Cn3cc[nH+]c3)CO2)c(Cl)c1 ZINC000002577319 368467127 /nfs/dbraw/zinc/46/71/27/368467127.db2.gz ZAVMDRXJGWFIHI-LBPRGKRZSA-N 1 2 269.131 3.116 40 0 CGABLO CCSc1nc(Nc2cccc(C)c2)cc(N)[nH+]1 ZINC000049467462 369402296 /nfs/dbraw/zinc/40/22/96/369402296.db2.gz XSWVXPCWSQZAED-UHFFFAOYSA-N 1 2 260.366 3.223 40 0 CGABLO CCSc1nc(N)cc(Nc2cccc(C)c2)[nH+]1 ZINC000049467462 369402303 /nfs/dbraw/zinc/40/23/03/369402303.db2.gz XSWVXPCWSQZAED-UHFFFAOYSA-N 1 2 260.366 3.223 40 0 CGABLO Cc1cc(OCC(=O)OC(C)C)c2c(F)ccc(C)c2[nH+]1 ZINC000064874852 392143102 /nfs/dbraw/zinc/14/31/02/392143102.db2.gz WOVQRHJMTSJORU-UHFFFAOYSA-N 1 2 291.322 3.321 40 0 CGABLO O=CN1CCCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213991 392198504 /nfs/dbraw/zinc/19/85/04/392198504.db2.gz VLZRVCBGSTZGAV-OAHLLOKOSA-N 1 2 273.380 3.120 40 0 CGABLO CC[C@H](O)c1c[nH+]c(N(C)Cc2ccccc2)c(C)c1 ZINC000072222358 392201837 /nfs/dbraw/zinc/20/18/37/392201837.db2.gz XNFGEEPXPVSZLN-INIZCTEOSA-N 1 2 270.376 3.470 40 0 CGABLO CC(C)(C)Nc1ccc([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072225834 392204876 /nfs/dbraw/zinc/20/48/76/392204876.db2.gz OBMXCNSOVVRULE-HNNXBMFYSA-N 1 2 256.349 3.374 40 0 CGABLO Clc1ccc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)cc1 ZINC000072381579 392206007 /nfs/dbraw/zinc/20/60/07/392206007.db2.gz MJHFNQHUYKJNAD-LBPRGKRZSA-N 1 2 261.756 3.053 40 0 CGABLO Clc1ccc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)cc1 ZINC000072381579 392206011 /nfs/dbraw/zinc/20/60/11/392206011.db2.gz MJHFNQHUYKJNAD-LBPRGKRZSA-N 1 2 261.756 3.053 40 0 CGABLO COc1cc2[nH+]c(-c3ccccc3)n(C)c2cc1OC ZINC000059488070 286262551 /nfs/dbraw/zinc/26/25/51/286262551.db2.gz PYEVYOGGJNWBJH-UHFFFAOYSA-N 1 2 268.316 3.258 40 0 CGABLO Nc1ccc(-c2[nH]c3ccc(N)c(Cl)c3[nH+]2)cc1 ZINC000005075161 170064256 /nfs/dbraw/zinc/06/42/56/170064256.db2.gz KYTYWNGTUQPVFG-UHFFFAOYSA-N 1 2 258.712 3.048 40 0 CGABLO Cc1csc2ncnc(N[C@H]3C[C@@H](C)n4cc[nH+]c43)c12 ZINC000334025452 279051024 /nfs/dbraw/zinc/05/10/24/279051024.db2.gz GTKQFTNEUBBGBI-ZJUUUORDSA-N 1 2 285.376 3.314 40 0 CGABLO CC[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]nc1C(C)(C)C ZINC000019500989 281277622 /nfs/dbraw/zinc/27/76/22/281277622.db2.gz QUTGKFMHPBRYQH-AWEZNQCLSA-N 1 2 286.423 3.476 40 0 CGABLO CC[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]nc1C(C)(C)C ZINC000019500989 281277623 /nfs/dbraw/zinc/27/76/23/281277623.db2.gz QUTGKFMHPBRYQH-AWEZNQCLSA-N 1 2 286.423 3.476 40 0 CGABLO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CC2)[nH+]cn1 ZINC000329013979 136377066 /nfs/dbraw/zinc/37/70/66/136377066.db2.gz MTBYOJANMQRHLK-GFCCVEGCSA-N 1 2 280.375 3.002 40 0 CGABLO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CC2)nc[nH+]1 ZINC000329013979 136377067 /nfs/dbraw/zinc/37/70/67/136377067.db2.gz MTBYOJANMQRHLK-GFCCVEGCSA-N 1 2 280.375 3.002 40 0 CGABLO C[C@H]1Cc2ccccc2CN1c1cc(NC2CC2)[nH+]cn1 ZINC000329013980 136399533 /nfs/dbraw/zinc/39/95/33/136399533.db2.gz MTBYOJANMQRHLK-LBPRGKRZSA-N 1 2 280.375 3.002 40 0 CGABLO C[C@H]1Cc2ccccc2CN1c1cc(NC2CC2)nc[nH+]1 ZINC000329013980 136399534 /nfs/dbraw/zinc/39/95/34/136399534.db2.gz MTBYOJANMQRHLK-LBPRGKRZSA-N 1 2 280.375 3.002 40 0 CGABLO CC(C)C(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226253469 136386629 /nfs/dbraw/zinc/38/66/29/136386629.db2.gz NLRLMOOFMSDLFC-LBPRGKRZSA-N 1 2 275.396 3.242 40 0 CGABLO CC(C)C(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226253469 136386630 /nfs/dbraw/zinc/38/66/30/136386630.db2.gz NLRLMOOFMSDLFC-LBPRGKRZSA-N 1 2 275.396 3.242 40 0 CGABLO O=C(CSc1[nH+]cc2ccccn21)c1ccccc1 ZINC000013281711 368649671 /nfs/dbraw/zinc/64/96/71/368649671.db2.gz PYNDUMMYGWQUEE-UHFFFAOYSA-N 1 2 268.341 3.309 40 0 CGABLO Cc1nc(N)cc(Nc2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000049467281 369402248 /nfs/dbraw/zinc/40/22/48/369402248.db2.gz CVKBAIOFIQVVNJ-UHFFFAOYSA-N 1 2 269.135 3.418 40 0 CGABLO Cc1nc(N)cc(Nc2cc(Cl)cc(Cl)c2)[nH+]1 ZINC000049467284 369402633 /nfs/dbraw/zinc/40/26/33/369402633.db2.gz YJAHNLZQTPARAS-UHFFFAOYSA-N 1 2 269.135 3.418 40 0 CGABLO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)c(F)c1 ZINC000257267310 190023087 /nfs/dbraw/zinc/02/30/87/190023087.db2.gz MGSPMQQIZKTMQO-MRXNPFEDSA-N 1 2 289.329 3.482 40 0 CGABLO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2ccncn2)c(F)c1 ZINC000257267310 190023088 /nfs/dbraw/zinc/02/30/88/190023088.db2.gz MGSPMQQIZKTMQO-MRXNPFEDSA-N 1 2 289.329 3.482 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2cccs2)[nH+]1 ZINC000257328324 190034847 /nfs/dbraw/zinc/03/48/47/190034847.db2.gz XFDWREKYYFOVFE-CYBMUJFWSA-N 1 2 289.404 3.076 40 0 CGABLO c1ccc(-c2nc3cc(C[NH+]4CCOCC4)ccc3o2)cc1 ZINC000226317317 376352347 /nfs/dbraw/zinc/35/23/47/376352347.db2.gz AIZAQSGVWOYMFK-UHFFFAOYSA-N 1 2 294.354 3.327 40 0 CGABLO S=C(Nc1cc[nH+]cc1)NC1CCCCCCC1 ZINC000225178891 376296583 /nfs/dbraw/zinc/29/65/83/376296583.db2.gz LXUSYPDJOFNTQP-UHFFFAOYSA-N 1 2 263.410 3.481 40 0 CGABLO Cc1ccc2oc(NCc3cn4c([nH+]3)CCCC4)nc2c1 ZINC000265144958 190161487 /nfs/dbraw/zinc/16/14/87/190161487.db2.gz RIHDZRJXPQQVKM-UHFFFAOYSA-N 1 2 282.347 3.281 40 0 CGABLO CC[C@@H](O)c1ccc(N2CCc3ccccc3C2)[nH+]c1C ZINC000072224934 256704199 /nfs/dbraw/zinc/70/41/99/256704199.db2.gz GVPOHSWSUVGPQN-QGZVFWFLSA-N 1 2 282.387 3.396 40 0 CGABLO CCN(CC)c1ccc([C@H](O)c2ccccc2)c[nH+]1 ZINC000072225260 392204255 /nfs/dbraw/zinc/20/42/55/392204255.db2.gz PTEISPUPYZXADY-MRXNPFEDSA-N 1 2 256.349 3.010 40 0 CGABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)c1C ZINC000329057321 392677261 /nfs/dbraw/zinc/67/72/61/392677261.db2.gz VXPNYXJGJRYHEJ-UHFFFAOYSA-N 1 2 296.418 3.379 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000072364011 176378949 /nfs/dbraw/zinc/37/89/49/176378949.db2.gz LBMOIIPWPHQQST-CQSZACIVSA-N 1 2 259.328 3.194 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000072364011 176378950 /nfs/dbraw/zinc/37/89/50/176378950.db2.gz LBMOIIPWPHQQST-CQSZACIVSA-N 1 2 259.328 3.194 40 0 CGABLO Cc1cc([C@@H]2CCCCN2C=O)c[nH+]c1N1CCCCC1 ZINC000072219192 301410076 /nfs/dbraw/zinc/41/00/76/301410076.db2.gz IZGRGCCAMHQRFR-INIZCTEOSA-N 1 2 287.407 3.064 40 0 CGABLO Cn1cc(C(O)=C2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC001560408635 938257430 /nfs/dbraw/zinc/25/74/30/938257430.db2.gz DISFSSIKNDJTPX-UHFFFAOYSA-N 1 2 278.335 3.232 40 0 CGABLO CC(C)[C@@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000095534769 185007910 /nfs/dbraw/zinc/00/79/10/185007910.db2.gz YYXFOBZBYVGRED-SNVBAGLBSA-N 1 2 284.285 3.146 40 0 CGABLO Cc1ccccc1-c1n[nH]c([C@@H]([NH3+])Cc2ccccc2)n1 ZINC000095534891 185008563 /nfs/dbraw/zinc/00/85/63/185008563.db2.gz TVFURRFLTZEMQS-HNNXBMFYSA-N 1 2 278.359 3.023 40 0 CGABLO CCCC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@H]1C ZINC000226253554 136386536 /nfs/dbraw/zinc/38/65/36/136386536.db2.gz MOKAWWMKOKHUAN-GFCCVEGCSA-N 1 2 275.396 3.386 40 0 CGABLO CCCC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@H]1C ZINC000226253554 136386537 /nfs/dbraw/zinc/38/65/37/136386537.db2.gz MOKAWWMKOKHUAN-GFCCVEGCSA-N 1 2 275.396 3.386 40 0 CGABLO CNc1nc(Nc2ccccc2C)cc(-c2ccccc2)[nH+]1 ZINC000328973107 202134796 /nfs/dbraw/zinc/13/47/96/202134796.db2.gz DYIDOSHHXLYFPR-UHFFFAOYSA-N 1 2 290.370 3.081 40 0 CGABLO CCNc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329072271 202177931 /nfs/dbraw/zinc/17/79/31/202177931.db2.gz ZWWVCSOGSZSFNY-UHFFFAOYSA-N 1 2 288.782 3.027 40 0 CGABLO C[NH+](C)c1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 ZINC000012088252 368603174 /nfs/dbraw/zinc/60/31/74/368603174.db2.gz IUMISZJXPOURDH-UHFFFAOYSA-N 1 2 293.370 3.206 40 0 CGABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccccc1F ZINC000019287501 368748457 /nfs/dbraw/zinc/74/84/57/368748457.db2.gz ZXPUVZZBTSIZOQ-SUMWQHHRSA-N 1 2 283.350 3.186 40 0 CGABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccccc1F ZINC000019287501 368748463 /nfs/dbraw/zinc/74/84/63/368748463.db2.gz ZXPUVZZBTSIZOQ-SUMWQHHRSA-N 1 2 283.350 3.186 40 0 CGABLO Nc1cc(Nc2cccc(Cl)c2)[nH+]c(C2CC2)n1 ZINC000049467598 369402494 /nfs/dbraw/zinc/40/24/94/369402494.db2.gz FJIKWLZPRANURP-UHFFFAOYSA-N 1 2 260.728 3.333 40 0 CGABLO Cc1ccc(Nc2cc(N)[nH+]c(C3CC3)n2)cc1C ZINC000049467583 369402599 /nfs/dbraw/zinc/40/25/99/369402599.db2.gz HGWIOMCFGSGDQD-UHFFFAOYSA-N 1 2 254.337 3.297 40 0 CGABLO CC(C)N(c1[nH+]cccc1[C@H]1CCCCN1C=O)C(C)C ZINC000072213049 369816098 /nfs/dbraw/zinc/81/60/98/369816098.db2.gz QZGWGSBCMTWUJW-MRXNPFEDSA-N 1 2 289.423 3.388 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2c2ccc(C(F)(F)F)cn2)[nH+]1 ZINC000257202877 190011087 /nfs/dbraw/zinc/01/10/87/190011087.db2.gz ANUJPTXIIKVKDV-LLVKDONJSA-N 1 2 296.296 3.473 40 0 CGABLO COc1cccc(CN2CCC[C@H]2c2[nH]cc(C)[nH+]2)c1F ZINC000257236086 190017011 /nfs/dbraw/zinc/01/70/11/190017011.db2.gz HASDRUCJZPIKMO-ZDUSSCGKSA-N 1 2 289.354 3.203 40 0 CGABLO CCc1ccc(C(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257274579 190024389 /nfs/dbraw/zinc/02/43/89/190024389.db2.gz NLRAEKAUALLAQV-INIZCTEOSA-N 1 2 297.402 3.300 40 0 CGABLO Cc1ccc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)nc1 ZINC000257292866 190027632 /nfs/dbraw/zinc/02/76/32/190027632.db2.gz QNGLJOHVHFQFSD-HNNXBMFYSA-N 1 2 274.389 3.025 40 0 CGABLO Cc1ccc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)nc1 ZINC000257292866 190027633 /nfs/dbraw/zinc/02/76/33/190027633.db2.gz QNGLJOHVHFQFSD-HNNXBMFYSA-N 1 2 274.389 3.025 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)[nH+]1 ZINC000257295716 190028170 /nfs/dbraw/zinc/02/81/70/190028170.db2.gz QZPFYLAOPINEIB-GFCCVEGCSA-N 1 2 289.404 3.108 40 0 CGABLO Cc1cc(CC2CCN(C(=O)C3CCCC3)CC2)cc[nH+]1 ZINC000257299195 190029055 /nfs/dbraw/zinc/02/90/55/190029055.db2.gz RPBZTHYOYXWPOK-UHFFFAOYSA-N 1 2 286.419 3.361 40 0 CGABLO CC(C)OC(=O)c1cc(N)ccc1[NH+]1CCCCCC1 ZINC000225486037 376312890 /nfs/dbraw/zinc/31/28/90/376312890.db2.gz CZNCLTMXTLZJQV-UHFFFAOYSA-N 1 2 276.380 3.214 40 0 CGABLO CNc1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212533 392197470 /nfs/dbraw/zinc/19/74/70/392197470.db2.gz JNLCLPZZRQRADX-GFCCVEGCSA-N 1 2 277.368 3.195 40 0 CGABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072213565 392198897 /nfs/dbraw/zinc/19/88/97/392198897.db2.gz QCDTUISFIHXEFQ-DOMZBBRYSA-N 1 2 275.396 3.366 40 0 CGABLO CN(C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212603 392199044 /nfs/dbraw/zinc/19/90/44/392199044.db2.gz BFVGFOIHTDOSTO-INIZCTEOSA-N 1 2 295.386 3.125 40 0 CGABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329062813 392678577 /nfs/dbraw/zinc/67/85/77/392678577.db2.gz WZHLOZZKEFRUFK-UHFFFAOYSA-N 1 2 294.402 3.133 40 0 CGABLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C)[C@H]3c1cccnc1 ZINC000072373721 286384984 /nfs/dbraw/zinc/38/49/84/286384984.db2.gz IEEWUMBISICBLS-SFHVURJKSA-N 1 2 293.370 3.149 40 0 CGABLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C)[C@H]3c1cccnc1 ZINC000072373721 286384986 /nfs/dbraw/zinc/38/49/86/286384986.db2.gz IEEWUMBISICBLS-SFHVURJKSA-N 1 2 293.370 3.149 40 0 CGABLO CCOC(=O)c1c[nH+]c2ccc(CC)cc2c1N(C)C ZINC000062719678 521576452 /nfs/dbraw/zinc/57/64/52/521576452.db2.gz DHBXBJLZXUJIEI-UHFFFAOYSA-N 1 2 272.348 3.040 40 0 CGABLO Cc1ccccc1[C@@H](C)NC(=S)Nc1cc[nH+]cc1 ZINC000225755344 567955091 /nfs/dbraw/zinc/95/50/91/567955091.db2.gz SORFVOBSLDUCLJ-GFCCVEGCSA-N 1 2 271.389 3.438 40 0 CGABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccccc1)C2 ZINC000008367579 344874142 /nfs/dbraw/zinc/87/41/42/344874142.db2.gz LLIHWSBHGQLCHE-UHFFFAOYSA-N 1 2 280.371 3.258 40 0 CGABLO CCCCNc1nc(NCCCC)c(OCC)c[nH+]1 ZINC000001670199 368429407 /nfs/dbraw/zinc/42/94/07/368429407.db2.gz VBKMWDOVYRUJJR-UHFFFAOYSA-N 1 2 266.389 3.299 40 0 CGABLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[NH+]1CCCCC1 ZINC000013304819 368648746 /nfs/dbraw/zinc/64/87/46/368648746.db2.gz OGERQOKJJMDILG-PMPSAXMXSA-N 1 2 281.440 3.476 40 0 CGABLO C[C@@H](Cc1ccccc1)N([NH3+])[C@@H](C)Cc1ccccc1 ZINC000019167489 368745684 /nfs/dbraw/zinc/74/56/84/368745684.db2.gz QVOJXFDCMPKDQW-HOTGVXAUSA-N 1 2 268.404 3.425 40 0 CGABLO CSc1nc(Nc2ccc(Cl)cc2)cc(N)[nH+]1 ZINC000049467374 369402812 /nfs/dbraw/zinc/40/28/12/369402812.db2.gz NXVQZXPZSQCTQZ-UHFFFAOYSA-N 1 2 266.757 3.178 40 0 CGABLO CSc1nc(N)cc(Nc2ccc(Cl)cc2)[nH+]1 ZINC000049467374 369402815 /nfs/dbraw/zinc/40/28/15/369402815.db2.gz NXVQZXPZSQCTQZ-UHFFFAOYSA-N 1 2 266.757 3.178 40 0 CGABLO CC1(c2ncc(Cl)s2)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000257262671 190022295 /nfs/dbraw/zinc/02/22/95/190022295.db2.gz LMIOQVSNQBGKJE-UHFFFAOYSA-N 1 2 296.827 3.073 40 0 CGABLO CC1(c2ncc(Cl)s2)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000257262671 190022296 /nfs/dbraw/zinc/02/22/96/190022296.db2.gz LMIOQVSNQBGKJE-UHFFFAOYSA-N 1 2 296.827 3.073 40 0 CGABLO Cc1cccc(C[N@@H+]2CCC[C@@]2(C)c2nc(C)cc(C)n2)n1 ZINC000257312388 190031877 /nfs/dbraw/zinc/03/18/77/190031877.db2.gz UNSMBHTXQLWMPU-SFHVURJKSA-N 1 2 296.418 3.308 40 0 CGABLO Cc1cccc(C[N@H+]2CCC[C@@]2(C)c2nc(C)cc(C)n2)n1 ZINC000257312388 190031878 /nfs/dbraw/zinc/03/18/78/190031878.db2.gz UNSMBHTXQLWMPU-SFHVURJKSA-N 1 2 296.418 3.308 40 0 CGABLO C[NH2+]c1ccc(N2CCCC2)c(Br)c1 ZINC000226276140 376348345 /nfs/dbraw/zinc/34/83/45/376348345.db2.gz MZXVUKRGDDDNTO-UHFFFAOYSA-N 1 2 255.159 3.091 40 0 CGABLO c1csc(CN2Cc3[nH+]ccn3C[C@H]2c2ccccc2)n1 ZINC000257317156 377796600 /nfs/dbraw/zinc/79/66/00/377796600.db2.gz VIPFJSAFDAYVOX-AWEZNQCLSA-N 1 2 296.399 3.097 40 0 CGABLO O=CN1CCCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213990 256713289 /nfs/dbraw/zinc/71/32/89/256713289.db2.gz VLZRVCBGSTZGAV-HNNXBMFYSA-N 1 2 273.380 3.120 40 0 CGABLO N=C1[NH+]=C(N2CCCCC2)S/C1=C\c1ccccc1O ZINC000016449018 391933911 /nfs/dbraw/zinc/93/39/11/391933911.db2.gz XDTKJDMNXIZNQN-NEHITOQWSA-N 1 2 287.388 3.299 40 0 CGABLO c1ccc2c(c1)CCC(C1=[NH+][C@@H]3CCCC[C@@H]3N1)=N2 ZINC000005732134 296620650 /nfs/dbraw/zinc/62/06/50/296620650.db2.gz YADXPDGXHQTMBQ-OKILXGFUSA-N 1 2 253.349 3.018 40 0 CGABLO CCCn1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040417514 174255970 /nfs/dbraw/zinc/25/59/70/174255970.db2.gz MHNHAWXXFSOVTG-UHFFFAOYSA-N 1 2 252.745 3.025 40 0 CGABLO Cc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000044902225 175274632 /nfs/dbraw/zinc/27/46/32/175274632.db2.gz OSOGITQNKYYNCC-UHFFFAOYSA-N 1 2 291.354 3.111 40 0 CGABLO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[NH+]1CCCC1 ZINC000216865672 262341067 /nfs/dbraw/zinc/34/10/67/262341067.db2.gz AIARMPBETVWVOY-UHFFFAOYSA-N 1 2 275.396 3.162 40 0 CGABLO Nc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212397 303497594 /nfs/dbraw/zinc/49/75/94/303497594.db2.gz QNTRPFYYSVZLFR-HNNXBMFYSA-N 1 2 281.359 3.031 40 0 CGABLO [NH3+][C@H](c1nnc(-c2cccc(Cl)c2)[nH]1)c1ccccc1 ZINC000095533392 185006340 /nfs/dbraw/zinc/00/63/40/185006340.db2.gz DMRSIKDUMNOECH-ZDUSSCGKSA-N 1 2 284.750 3.173 40 0 CGABLO CC[C@H](C)Nc1nc(Nc2ccccc2)cc(C2CC2)[nH+]1 ZINC000329040769 202163933 /nfs/dbraw/zinc/16/39/33/202163933.db2.gz SFFGZECUPPMJPW-LBPRGKRZSA-N 1 2 282.391 3.152 40 0 CGABLO CN1c2ccc(Cl)cc2[C@@H](C2=CCCCC2)[NH2+]CC1=O ZINC000095890235 392244298 /nfs/dbraw/zinc/24/42/98/392244298.db2.gz YPQGZENVQVWYPK-MRXNPFEDSA-N 1 2 290.794 3.448 40 0 CGABLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+]1CCCCC1 ZINC000005003305 170053872 /nfs/dbraw/zinc/05/38/72/170053872.db2.gz OGERQOKJJMDILG-OWCLPIDISA-N 1 2 281.440 3.476 40 0 CGABLO CCc1ccc2[nH+]c(C)cc(OCC(=O)OC(C)C)c2c1 ZINC000062719733 524060143 /nfs/dbraw/zinc/06/01/43/524060143.db2.gz WBARJAGWOODEIK-UHFFFAOYSA-N 1 2 287.359 3.436 40 0 CGABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)C(C)(C)C)CC1 ZINC000226253437 136386580 /nfs/dbraw/zinc/38/65/80/136386580.db2.gz LWLVQHXUHQITDN-UHFFFAOYSA-N 1 2 289.423 3.490 40 0 CGABLO CCOc1ccc(Nc2cc(N)nc(SCC)[nH+]2)cc1 ZINC000049467519 369402579 /nfs/dbraw/zinc/40/25/79/369402579.db2.gz QZVGTWYKZKTDPM-UHFFFAOYSA-N 1 2 290.392 3.313 40 0 CGABLO CCOc1ccc(Nc2cc(N)[nH+]c(SCC)n2)cc1 ZINC000049467519 369402585 /nfs/dbraw/zinc/40/25/85/369402585.db2.gz QZVGTWYKZKTDPM-UHFFFAOYSA-N 1 2 290.392 3.313 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccccc3C)C2)[nH+]1 ZINC000257207369 190011685 /nfs/dbraw/zinc/01/16/85/190011685.db2.gz BHLZVEJHAJWZJW-AWEZNQCLSA-N 1 2 283.375 3.046 40 0 CGABLO Cc1cn(C)c([C@H]2CCCN2C(=O)/C=C/c2ccccc2)[nH+]1 ZINC000257298177 190029294 /nfs/dbraw/zinc/02/92/94/190029294.db2.gz RKMLOBPNKMPFQX-SIFUEBAJSA-N 1 2 295.386 3.105 40 0 CGABLO C[C@H](CCc1ccccc1)NC(=S)Nc1cc[nH+]cc1 ZINC000225178851 376296650 /nfs/dbraw/zinc/29/66/50/376296650.db2.gz HNSTUCBQHFNAHV-CYBMUJFWSA-N 1 2 285.416 3.389 40 0 CGABLO S=C(NCCC1=CCCCC1)Nc1cc[nH+]cc1 ZINC000225178138 376297413 /nfs/dbraw/zinc/29/74/13/376297413.db2.gz GFXUIUNMGCBEQY-UHFFFAOYSA-N 1 2 261.394 3.259 40 0 CGABLO S=C(NCCSC1CCCCC1)Nc1cc[nH+]cc1 ZINC000225359502 376304484 /nfs/dbraw/zinc/30/44/84/376304484.db2.gz YOMWWGLIQQQCDC-UHFFFAOYSA-N 1 2 295.477 3.434 40 0 CGABLO CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000242614813 256868446 /nfs/dbraw/zinc/86/84/46/256868446.db2.gz PIAGKSDCIJORIY-JOCQHMNTSA-N 1 2 291.395 3.329 40 0 CGABLO Nc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212357 392197483 /nfs/dbraw/zinc/19/74/83/392197483.db2.gz PLUXKPFHGWZMIT-OAHLLOKOSA-N 1 2 297.358 3.138 40 0 CGABLO CC(=O)N1CCCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213873 392199181 /nfs/dbraw/zinc/19/91/81/392199181.db2.gz LKKBAWHFLCKPGQ-HNNXBMFYSA-N 1 2 273.380 3.120 40 0 CGABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1NCC(C)C ZINC000072213288 392199210 /nfs/dbraw/zinc/19/92/10/392199210.db2.gz XYRBYAZSFOXASD-HNNXBMFYSA-N 1 2 275.396 3.223 40 0 CGABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072222461 392201685 /nfs/dbraw/zinc/20/16/85/392201685.db2.gz AOEDKIBIKHEOME-QGZVFWFLSA-N 1 2 282.387 3.462 40 0 CGABLO CC(C)(C)Nc1ccc([C@H](O)c2ccccc2)c[nH+]1 ZINC000072225833 392204455 /nfs/dbraw/zinc/20/44/55/392204455.db2.gz OBMXCNSOVVRULE-OAHLLOKOSA-N 1 2 256.349 3.374 40 0 CGABLO c1ccc2c(c1)CCC(C1=[NH+][C@@H]3CCCC[C@H]3N1)=N2 ZINC000005732137 296620810 /nfs/dbraw/zinc/62/08/10/296620810.db2.gz YADXPDGXHQTMBQ-ZIAGYGMSSA-N 1 2 253.349 3.018 40 0 CGABLO Cc1ccc(C)c(NC(=O)C[NH+]2Cc3ccccc3C2)c1 ZINC000008369928 170333252 /nfs/dbraw/zinc/33/32/52/170333252.db2.gz XWOPSKZEJUVGQS-UHFFFAOYSA-N 1 2 280.371 3.258 40 0 CGABLO CN(C)c1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072212664 289440259 /nfs/dbraw/zinc/44/02/59/289440259.db2.gz NGBSGEDKYQDNQO-MRXNPFEDSA-N 1 2 295.386 3.125 40 0 CGABLO Cn1c2cc(F)ccc2[nH+]c1N1CCC[C@H]1c1cccnc1 ZINC000431032876 302900754 /nfs/dbraw/zinc/90/07/54/302900754.db2.gz FJRYOSCYCRFDPK-HNNXBMFYSA-N 1 2 296.349 3.449 40 0 CGABLO Nc1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212452 303505460 /nfs/dbraw/zinc/50/54/60/303505460.db2.gz RAIADHLIICXRAW-OAHLLOKOSA-N 1 2 281.359 3.031 40 0 CGABLO CC(C)c1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000010313966 368579864 /nfs/dbraw/zinc/57/98/64/368579864.db2.gz FNVXBDHMYJWXOS-UHFFFAOYSA-N 1 2 299.418 3.146 40 0 CGABLO Cc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020036140 368795205 /nfs/dbraw/zinc/79/52/05/368795205.db2.gz AMCPEEBWSASVHT-UHFFFAOYSA-N 1 2 291.354 3.111 40 0 CGABLO COC(=O)C=C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000034551549 368975550 /nfs/dbraw/zinc/97/55/50/368975550.db2.gz PCTFTVPSYXDECJ-UHFFFAOYSA-N 1 2 293.366 3.191 40 0 CGABLO COc1cccc(CN2CCC[C@@H]2c2[nH]cc(C)[nH+]2)c1F ZINC000257236085 190016746 /nfs/dbraw/zinc/01/67/46/190016746.db2.gz HASDRUCJZPIKMO-CYBMUJFWSA-N 1 2 289.354 3.203 40 0 CGABLO Cc1cc(N2CCCCC2)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103252 376340489 /nfs/dbraw/zinc/34/04/89/376340489.db2.gz NDIZFZCXRVAAHT-UHFFFAOYSA-N 1 2 268.364 3.025 40 0 CGABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCCN1C(C)=O ZINC000072212931 284833257 /nfs/dbraw/zinc/83/32/57/284833257.db2.gz OEJPFDNBDAVBHL-OAHLLOKOSA-N 1 2 275.396 3.001 40 0 CGABLO CCCNc1cc(C)c(C(=O)c2ccccc2)c[nH+]1 ZINC000072223206 256704909 /nfs/dbraw/zinc/70/49/09/256704909.db2.gz QJUAJZRSBOWOCM-UHFFFAOYSA-N 1 2 254.333 3.443 40 0 CGABLO CCc1[nH]c2ccc(NC(=O)c3ccnn3C(C)C)cc2[nH+]1 ZINC000072398276 176396313 /nfs/dbraw/zinc/39/63/13/176396313.db2.gz ATSCNEFVQGBHOE-UHFFFAOYSA-N 1 2 297.362 3.155 40 0 CGABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000175208861 261214542 /nfs/dbraw/zinc/21/45/42/261214542.db2.gz VGJYCYFUHGZKHT-UHFFFAOYSA-N 1 2 286.762 3.294 40 0 CGABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216137 277998525 /nfs/dbraw/zinc/99/85/25/277998525.db2.gz UOFLNLLSQFUDEB-INIZCTEOSA-N 1 2 287.407 3.145 40 0 CGABLO COc1cccc2c1cc[nH+]c2N1CCO[C@@H](C2CCC2)C1 ZINC000413483956 533905303 /nfs/dbraw/zinc/90/53/03/533905303.db2.gz YIFODMKLFPPXGW-QGZVFWFLSA-N 1 2 298.386 3.249 40 0 CGABLO C[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccccc1 ZINC000013837254 368668874 /nfs/dbraw/zinc/66/88/74/368668874.db2.gz PKTFKEMGTLRMEF-LLVKDONJSA-N 1 2 257.362 3.129 40 0 CGABLO CCn1cc(-c2c[nH+]cn2CCOc2ccc(C)cc2)cn1 ZINC000019719619 368760343 /nfs/dbraw/zinc/76/03/43/368760343.db2.gz GLGQXHINHRWEKL-UHFFFAOYSA-N 1 2 296.374 3.154 40 0 CGABLO C[C@H](Cc1ccccc1)N[NH2+][C@@H](C)Cc1ccccc1 ZINC000019167463 368745931 /nfs/dbraw/zinc/74/59/31/368745931.db2.gz WEPWCOQRTFRBOY-IYBDPMFKSA-N 1 2 268.404 3.343 40 0 CGABLO C[C@H](Cc1ccccc1)[NH2+]N[C@@H](C)Cc1ccccc1 ZINC000019167463 368745935 /nfs/dbraw/zinc/74/59/35/368745935.db2.gz WEPWCOQRTFRBOY-IYBDPMFKSA-N 1 2 268.404 3.343 40 0 CGABLO Cc1cc([NH3+])ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000057381075 369538044 /nfs/dbraw/zinc/53/80/44/369538044.db2.gz NSRPXMJWORGBMH-UHFFFAOYSA-N 1 2 285.366 3.043 40 0 CGABLO C[NH+]1C=CC(=C/C=C2/C=NN=C2c2cccs2)C=C1 ZINC000334139386 374647281 /nfs/dbraw/zinc/64/72/81/374647281.db2.gz PKANEORCYZPBMX-ACAGNQJTSA-N 1 2 267.357 3.362 40 0 CGABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C(C)=O ZINC000072213456 392198713 /nfs/dbraw/zinc/19/87/13/392198713.db2.gz HGBHNKQOQWNQOP-SWLSCSKDSA-N 1 2 275.396 3.366 40 0 CGABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N(C(C)C)C(C)C ZINC000072213010 392198918 /nfs/dbraw/zinc/19/89/18/392198918.db2.gz HCEBPBWNTXXTPL-MRXNPFEDSA-N 1 2 289.423 3.388 40 0 CGABLO CC[C@H](O)c1c[nH+]c(N2CCc3ccccc3C2)cc1C ZINC000072223891 392202918 /nfs/dbraw/zinc/20/29/18/392202918.db2.gz SPAGAFJPQUVJGJ-KRWDZBQOSA-N 1 2 282.387 3.396 40 0 CGABLO C[C@H]1CN(Nc2ccccc2)C(c2ccccc2)=[NH+]1 ZINC000006183718 170181076 /nfs/dbraw/zinc/18/10/76/170181076.db2.gz HMTJXLZLCBXZHT-ZDUSSCGKSA-N 1 2 251.333 3.164 40 0 CGABLO Clc1ccccc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000072366777 176381825 /nfs/dbraw/zinc/38/18/25/176381825.db2.gz KFHZBRCETMWAJL-AWEZNQCLSA-N 1 2 261.756 3.400 40 0 CGABLO Clc1ccccc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000072366777 176381826 /nfs/dbraw/zinc/38/18/26/176381826.db2.gz KFHZBRCETMWAJL-AWEZNQCLSA-N 1 2 261.756 3.400 40 0 CGABLO CC(C)C(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@H]1C ZINC000226253477 136386429 /nfs/dbraw/zinc/38/64/29/136386429.db2.gz NLRLMOOFMSDLFC-GFCCVEGCSA-N 1 2 275.396 3.242 40 0 CGABLO CC(C)C(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@H]1C ZINC000226253477 136386430 /nfs/dbraw/zinc/38/64/30/136386430.db2.gz NLRLMOOFMSDLFC-GFCCVEGCSA-N 1 2 275.396 3.242 40 0 CGABLO Nc1nc2ccc(-c3[nH]c4ccc(N)cc4[nH+]3)cc2s1 ZINC000000249682 368325853 /nfs/dbraw/zinc/32/58/53/368325853.db2.gz BZHCPPLQHCKQCW-UHFFFAOYSA-N 1 2 281.344 3.004 40 0 CGABLO CC(C)(C)[N@@H+]1CCO[C@@H](c2cc(F)ccc2F)C1 ZINC000014982328 368687517 /nfs/dbraw/zinc/68/75/17/368687517.db2.gz IPMBAZNHQAZDGX-CYBMUJFWSA-N 1 2 255.308 3.137 40 0 CGABLO CC(C)(C)[N@H+]1CCO[C@@H](c2cc(F)ccc2F)C1 ZINC000014982328 368687520 /nfs/dbraw/zinc/68/75/20/368687520.db2.gz IPMBAZNHQAZDGX-CYBMUJFWSA-N 1 2 255.308 3.137 40 0 CGABLO c1csc(-c2cnc3n2CC[N@@H+](Cc2cccnc2)C3)c1 ZINC000306131729 374128109 /nfs/dbraw/zinc/12/81/09/374128109.db2.gz KNYBWQZMFNDDRQ-UHFFFAOYSA-N 1 2 296.399 3.022 40 0 CGABLO c1csc(-c2cnc3n2CC[N@H+](Cc2cccnc2)C3)c1 ZINC000306131729 374128116 /nfs/dbraw/zinc/12/81/16/374128116.db2.gz KNYBWQZMFNDDRQ-UHFFFAOYSA-N 1 2 296.399 3.022 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2ccccc2)[nH+]1 ZINC000257299637 190029972 /nfs/dbraw/zinc/02/99/72/190029972.db2.gz RQWIPUXLAZNHDZ-OAHLLOKOSA-N 1 2 283.375 3.014 40 0 CGABLO CC1(c2ncc(Cl)s2)CC[NH+](Cc2c[nH]cn2)CC1 ZINC000257236977 377795624 /nfs/dbraw/zinc/79/56/24/377795624.db2.gz HERBQJUJCWQTRN-UHFFFAOYSA-N 1 2 296.827 3.073 40 0 CGABLO CC1(c2ncc(Cl)s2)CC[NH+](Cc2cnc[nH]2)CC1 ZINC000257236977 377795630 /nfs/dbraw/zinc/79/56/30/377795630.db2.gz HERBQJUJCWQTRN-UHFFFAOYSA-N 1 2 296.827 3.073 40 0 CGABLO Brc1ccc([C@H]2C[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000575424183 377907672 /nfs/dbraw/zinc/90/76/72/377907672.db2.gz WSAZLJIKLPGIQB-DGCLKSJQSA-N 1 2 277.165 3.449 40 0 CGABLO CC(=O)N1CCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213952 392198541 /nfs/dbraw/zinc/19/85/41/392198541.db2.gz OVFXDPJZHPOIGV-HNNXBMFYSA-N 1 2 273.380 3.120 40 0 CGABLO CCOC(=O)c1c[nH+]c2ccc(C(F)(F)F)cc2c1NC ZINC000040175538 174200806 /nfs/dbraw/zinc/20/08/06/174200806.db2.gz UACUDSCDSWHSDR-UHFFFAOYSA-N 1 2 298.264 3.472 40 0 CGABLO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1[nH]ncc1C ZINC000072366785 176381912 /nfs/dbraw/zinc/38/19/12/176381912.db2.gz NVUBOZCBORIQIZ-HNNXBMFYSA-N 1 2 285.391 3.454 40 0 CGABLO CCOc1ccccc1C[N@H+]1CCC[C@H]1c1[nH]ncc1C ZINC000072366785 176381913 /nfs/dbraw/zinc/38/19/13/176381913.db2.gz NVUBOZCBORIQIZ-HNNXBMFYSA-N 1 2 285.391 3.454 40 0 CGABLO [NH3+][C@H](c1nnc(-c2ccccc2)[nH]1)c1ccc(Cl)cc1 ZINC000095534035 185007292 /nfs/dbraw/zinc/00/72/92/185007292.db2.gz MZGFBIUAHKLPLY-ZDUSSCGKSA-N 1 2 284.750 3.173 40 0 CGABLO CCNc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328990930 202142462 /nfs/dbraw/zinc/14/24/62/202142462.db2.gz IQHOKMKKCIOOLP-UHFFFAOYSA-N 1 2 290.370 3.163 40 0 CGABLO COc1ccc(Cl)cc1NC(=O)Oc1cc[nH+]cc1 ZINC000013207978 368646551 /nfs/dbraw/zinc/64/65/51/368646551.db2.gz BJRFOAVNRCXONT-UHFFFAOYSA-N 1 2 278.695 3.355 40 0 CGABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccccc1F ZINC000019287503 368747896 /nfs/dbraw/zinc/74/78/96/368747896.db2.gz ZXPUVZZBTSIZOQ-DYVFJYSZSA-N 1 2 283.350 3.186 40 0 CGABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccccc1F ZINC000019287503 368747901 /nfs/dbraw/zinc/74/79/01/368747901.db2.gz ZXPUVZZBTSIZOQ-DYVFJYSZSA-N 1 2 283.350 3.186 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)[nH+]1 ZINC000257227071 190015714 /nfs/dbraw/zinc/01/57/14/190015714.db2.gz FNMRHTKGGNOUTH-MRXNPFEDSA-N 1 2 295.386 3.184 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000257217633 190014267 /nfs/dbraw/zinc/01/42/67/190014267.db2.gz CZWFJBAXHREUQL-HNNXBMFYSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000257217633 190014268 /nfs/dbraw/zinc/01/42/68/190014268.db2.gz CZWFJBAXHREUQL-HNNXBMFYSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1c[nH]c([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000257323932 190034367 /nfs/dbraw/zinc/03/43/67/190034367.db2.gz WMLWIFSFKIESML-MRXNPFEDSA-N 1 2 269.392 3.140 40 0 CGABLO Cc1c[nH]c([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000257323932 190034368 /nfs/dbraw/zinc/03/43/68/190034368.db2.gz WMLWIFSFKIESML-MRXNPFEDSA-N 1 2 269.392 3.140 40 0 CGABLO CC(C)C1(NC(=S)Nc2cc[nH+]cc2)CCCC1 ZINC000225874526 376333044 /nfs/dbraw/zinc/33/30/44/376333044.db2.gz CAXBWZCWUBNBIN-UHFFFAOYSA-N 1 2 263.410 3.337 40 0 CGABLO O=CN1CCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214006 392198580 /nfs/dbraw/zinc/19/85/80/392198580.db2.gz WWPKONJJXIWGDI-OAHLLOKOSA-N 1 2 273.380 3.120 40 0 CGABLO O[C@@H](c1ccccc1)c1ccc(N2CCCCC2)[nH+]c1 ZINC000072225451 392204348 /nfs/dbraw/zinc/20/43/48/392204348.db2.gz WFIPBDDKZJEGNX-KRWDZBQOSA-N 1 2 268.360 3.154 40 0 CGABLO Cc1csc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357083 176376284 /nfs/dbraw/zinc/37/62/84/176376284.db2.gz XJPSOZUNACCPCY-ZDUSSCGKSA-N 1 2 259.378 3.184 40 0 CGABLO Cc1csc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072357083 176376286 /nfs/dbraw/zinc/37/62/86/176376286.db2.gz XJPSOZUNACCPCY-ZDUSSCGKSA-N 1 2 259.378 3.184 40 0 CGABLO CC(=O)Nc1cc([NH+]2[C@@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216864209 262341259 /nfs/dbraw/zinc/34/12/59/262341259.db2.gz XIVHQCCLBJLUJD-RYUDHWBXSA-N 1 2 275.396 3.303 40 0 CGABLO CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000013947597 368671555 /nfs/dbraw/zinc/67/15/55/368671555.db2.gz KEWOTCHTJKABMT-GFCCVEGCSA-N 1 2 290.388 3.396 40 0 CGABLO CCSc1nc(Nc2ccc(F)cc2)cc(N)[nH+]1 ZINC000049467482 369402738 /nfs/dbraw/zinc/40/27/38/369402738.db2.gz IORDOMGPVSQOQI-UHFFFAOYSA-N 1 2 264.329 3.054 40 0 CGABLO CCSc1nc(N)cc(Nc2ccc(F)cc2)[nH+]1 ZINC000049467482 369402743 /nfs/dbraw/zinc/40/27/43/369402743.db2.gz IORDOMGPVSQOQI-UHFFFAOYSA-N 1 2 264.329 3.054 40 0 CGABLO O=CN1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216735 369815598 /nfs/dbraw/zinc/81/55/98/369815598.db2.gz HFVDORSCHWTRLS-MRXNPFEDSA-N 1 2 287.407 3.145 40 0 CGABLO Cc1cc(NC[C@H]2CCC(C)(C)O2)nc(-c2cccnc2)[nH+]1 ZINC000302486802 373877188 /nfs/dbraw/zinc/87/71/88/373877188.db2.gz YOZPMYFETMNEBJ-CQSZACIVSA-N 1 2 298.390 3.217 40 0 CGABLO CCOC(=O)C1=C(C)/C(=C/C=C2C=C[NH+](C)C=C2)C(C)=N1 ZINC000334139376 206046711 /nfs/dbraw/zinc/04/67/11/206046711.db2.gz DERQINVFHSDOAH-CHHVJCJISA-N 1 2 284.359 3.124 40 0 CGABLO CCCN(CCC)c1[nH+]cc([C@H](O)CC)cc1C ZINC000072222250 392201228 /nfs/dbraw/zinc/20/12/28/392201228.db2.gz OPAKWCCZPJJLDF-CQSZACIVSA-N 1 2 250.386 3.460 40 0 CGABLO CCN(CC)c1ccc([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072225261 392204513 /nfs/dbraw/zinc/20/45/13/392204513.db2.gz PTEISPUPYZXADY-INIZCTEOSA-N 1 2 256.349 3.010 40 0 CGABLO Clc1cccc(-c2[nH+]ccn2C[C@@H]2CO2)c1Cl ZINC000096511332 392257664 /nfs/dbraw/zinc/25/76/64/392257664.db2.gz NXVWQWGHMOAMDG-MRVPVSSYSA-N 1 2 269.131 3.256 40 0 CGABLO COc1ccc(C=O)cc1Cn1c(C)[nH+]c2ccccc21 ZINC000007542361 170290095 /nfs/dbraw/zinc/29/00/95/170290095.db2.gz YTXQMTCPRWUDTG-UHFFFAOYSA-N 1 2 280.327 3.214 40 0 CGABLO Cc1cc2c(cc1C)C[NH+](CC(=O)NC1CCCCC1)C2 ZINC000409204587 261149172 /nfs/dbraw/zinc/14/91/72/261149172.db2.gz ARMVPUNTFMXMRO-UHFFFAOYSA-N 1 2 286.419 3.068 40 0 CGABLO COc1ccc[nH+]c1N1CCC(N(C)c2ccccc2)CC1 ZINC000527883751 270141889 /nfs/dbraw/zinc/14/18/89/270141889.db2.gz IJRMXVYAYBQMOV-UHFFFAOYSA-N 1 2 297.402 3.195 40 0 CGABLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000528773878 270172782 /nfs/dbraw/zinc/17/27/82/270172782.db2.gz RXVWUMIOUQBEPM-SECBINFHSA-N 1 2 260.715 3.355 40 0 CGABLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(Cl)cn1 ZINC000528773878 270172783 /nfs/dbraw/zinc/17/27/83/270172783.db2.gz RXVWUMIOUQBEPM-SECBINFHSA-N 1 2 260.715 3.355 40 0 CGABLO CC(=O)N1CCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216635 278017275 /nfs/dbraw/zinc/01/72/75/278017275.db2.gz CBHSEXGZKOHVEO-MRXNPFEDSA-N 1 2 287.407 3.145 40 0 CGABLO CCCCC(=O)Nc1cc(N)ccc1[NH+]1CCCCC1 ZINC000226253577 534955150 /nfs/dbraw/zinc/95/51/50/534955150.db2.gz WYHBUVOZMUGVPD-UHFFFAOYSA-N 1 2 275.396 3.388 40 0 CGABLO CCNc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328969514 202134422 /nfs/dbraw/zinc/13/44/22/202134422.db2.gz DEWKJJUDPTYVGY-UHFFFAOYSA-N 1 2 296.418 3.164 40 0 CGABLO Cc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC3CC3)n2)cc1 ZINC000067898674 369735573 /nfs/dbraw/zinc/73/55/73/369735573.db2.gz WVXBATBHRLPVAA-KRWDZBQOSA-N 1 2 297.402 3.168 40 0 biogenic,in-vitro CGABLO Cc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC3CC3)n2)cc1 ZINC000067898674 369735576 /nfs/dbraw/zinc/73/55/76/369735576.db2.gz WVXBATBHRLPVAA-KRWDZBQOSA-N 1 2 297.402 3.168 40 0 biogenic,in-vitro CGABLO Cc1[nH]c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH+]c1C ZINC000095097346 370176007 /nfs/dbraw/zinc/17/60/07/370176007.db2.gz MNMIQGDJRHBNQF-LLVKDONJSA-N 1 2 265.357 3.099 40 0 CGABLO Cc1cn2c(cccc2[C@H]2CCCN2c2cc(C)ncn2)[nH+]1 ZINC000257226362 377795049 /nfs/dbraw/zinc/79/50/49/377795049.db2.gz FKIPOTCQNZGLAR-CQSZACIVSA-N 1 2 293.374 3.083 40 0 CGABLO CC(=O)N1CCCC[C@H]1c1ccc(NCC(C)C)[nH+]c1 ZINC000072213348 392199272 /nfs/dbraw/zinc/19/92/72/392199272.db2.gz VHYCFCGQMCTYGX-HNNXBMFYSA-N 1 2 275.396 3.223 40 0 CGABLO CC(=O)N1CCC[C@@H](c2[nH+]c(C)n3c(C)c(C)sc23)C1 ZINC000072368098 392205799 /nfs/dbraw/zinc/20/57/99/392205799.db2.gz TZPFHDQGCOUHAK-CYBMUJFWSA-N 1 2 291.420 3.047 40 0 CGABLO CCc1ccccc1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000008088312 170318705 /nfs/dbraw/zinc/31/87/05/170318705.db2.gz LZOZWOGEOVJZFL-UHFFFAOYSA-N 1 2 280.371 3.203 40 0 CGABLO CCNc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000329035874 202161856 /nfs/dbraw/zinc/16/18/56/202161856.db2.gz RGBDGSJAHXGKPQ-UHFFFAOYSA-N 1 2 270.380 3.208 40 0 CGABLO Cc1cc(C)c2cc3c(nc2c1)OCC[N@@H+](CC1CC1)C3 ZINC000019569399 368757008 /nfs/dbraw/zinc/75/70/08/368757008.db2.gz AQBVPROQGJVEHQ-UHFFFAOYSA-N 1 2 282.387 3.456 40 0 CGABLO Cc1cc(C)c2cc3c(nc2c1)OCC[N@H+](CC1CC1)C3 ZINC000019569399 368757010 /nfs/dbraw/zinc/75/70/10/368757010.db2.gz AQBVPROQGJVEHQ-UHFFFAOYSA-N 1 2 282.387 3.456 40 0 CGABLO Fc1cccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)c1F ZINC000257277789 190025206 /nfs/dbraw/zinc/02/52/06/190025206.db2.gz NZJJBLROSBEJTN-HNNXBMFYSA-N 1 2 289.329 3.482 40 0 CGABLO Fc1cccc(C[N@H+]2CCCC[C@H]2c2ccncn2)c1F ZINC000257277789 190025207 /nfs/dbraw/zinc/02/52/07/190025207.db2.gz NZJJBLROSBEJTN-HNNXBMFYSA-N 1 2 289.329 3.482 40 0 CGABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccccc2)cc[nH+]1 ZINC000257302800 190030194 /nfs/dbraw/zinc/03/01/94/190030194.db2.gz SEMIGPQKKQDJAE-HNNXBMFYSA-N 1 2 281.359 3.101 40 0 CGABLO S=C(Nc1cc[nH+]cc1)NC1(c2cccnc2)CCCC1 ZINC000225874462 376331050 /nfs/dbraw/zinc/33/10/50/376331050.db2.gz HZEBFITWIFKVMC-UHFFFAOYSA-N 1 2 298.415 3.233 40 0 CGABLO C[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(F)cc1 ZINC000225179298 376297026 /nfs/dbraw/zinc/29/70/26/376297026.db2.gz NNPBXNMGWMSCOU-JTQLQIEISA-N 1 2 275.352 3.268 40 0 CGABLO c1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3ccncc3)nc2c1 ZINC000257223527 377795771 /nfs/dbraw/zinc/79/57/71/377795771.db2.gz DXUAZTGTXWSNLM-INIZCTEOSA-N 1 2 278.359 3.295 40 0 CGABLO c1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3ccncc3)nc2c1 ZINC000257223527 377795780 /nfs/dbraw/zinc/79/57/80/377795780.db2.gz DXUAZTGTXWSNLM-INIZCTEOSA-N 1 2 278.359 3.295 40 0 CGABLO Brc1ccc([C@H]2C[C@H]2Cn2cc[nH+]c2)cc1 ZINC000575424184 377907425 /nfs/dbraw/zinc/90/74/25/377907425.db2.gz WSAZLJIKLPGIQB-WCQYABFASA-N 1 2 277.165 3.449 40 0 CGABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCCN1C(C)=O ZINC000072212930 284833675 /nfs/dbraw/zinc/83/36/75/284833675.db2.gz OEJPFDNBDAVBHL-HNNXBMFYSA-N 1 2 275.396 3.001 40 0 CGABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213932 392199263 /nfs/dbraw/zinc/19/92/63/392199263.db2.gz TZPWPGIYNVLSRY-OAHLLOKOSA-N 1 2 273.380 3.120 40 0 CGABLO Cc1cc([C@@H](C)O)c[nH+]c1N(C)Cc1ccccc1 ZINC000072222356 392201214 /nfs/dbraw/zinc/20/12/14/392201214.db2.gz IRWXRBGQHHVSCE-CYBMUJFWSA-N 1 2 256.349 3.080 40 0 CGABLO Cc1[nH+]c(N2CCc3ccccc32)ccc1[C@H](C)O ZINC000072224986 392204281 /nfs/dbraw/zinc/20/42/81/392204281.db2.gz MOKWSINZAVZBQU-LBPRGKRZSA-N 1 2 254.333 3.138 40 0 CGABLO Clc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000072366776 176382020 /nfs/dbraw/zinc/38/20/20/176382020.db2.gz KFHZBRCETMWAJL-CQSZACIVSA-N 1 2 261.756 3.400 40 0 CGABLO Clc1ccccc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000072366776 176382021 /nfs/dbraw/zinc/38/20/21/176382021.db2.gz KFHZBRCETMWAJL-CQSZACIVSA-N 1 2 261.756 3.400 40 0 CGABLO Cn1cc(C[N@H+](Cc2ccccc2)Cc2ccccn2)cn1 ZINC000072398437 527195138 /nfs/dbraw/zinc/19/51/38/527195138.db2.gz FREHWLOUJHZMSG-UHFFFAOYSA-N 1 2 292.386 3.018 40 0 CGABLO Cn1cc(C[N@@H+](Cc2ccccc2)Cc2ccccn2)cn1 ZINC000072398437 527195144 /nfs/dbraw/zinc/19/51/44/527195144.db2.gz FREHWLOUJHZMSG-UHFFFAOYSA-N 1 2 292.386 3.018 40 0 CGABLO CC(C)[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000095534768 185007937 /nfs/dbraw/zinc/00/79/37/185007937.db2.gz YYXFOBZBYVGRED-JTQLQIEISA-N 1 2 284.285 3.146 40 0 CGABLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000109826912 186275325 /nfs/dbraw/zinc/27/53/25/186275325.db2.gz KTHYCBRBAKWDBQ-OAHLLOKOSA-N 1 2 271.364 3.146 40 0 CGABLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ncc[nH]2)cc1 ZINC000109826912 186275326 /nfs/dbraw/zinc/27/53/26/186275326.db2.gz KTHYCBRBAKWDBQ-OAHLLOKOSA-N 1 2 271.364 3.146 40 0 CGABLO Nc1ccc(-c2[nH]c3cc(Cl)c(N)cc3[nH+]2)cc1 ZINC000006493899 368567930 /nfs/dbraw/zinc/56/79/30/368567930.db2.gz JOTHLSOQKMTNIB-UHFFFAOYSA-N 1 2 258.712 3.048 40 0 CGABLO C[C@@H](c1ccco1)[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000013570156 368657979 /nfs/dbraw/zinc/65/79/79/368657979.db2.gz RCLSSFAXDHKJMM-NSHDSACASA-N 1 2 255.321 3.349 40 0 CGABLO C[C@@H](c1ccco1)[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000013570156 368657980 /nfs/dbraw/zinc/65/79/80/368657980.db2.gz RCLSSFAXDHKJMM-NSHDSACASA-N 1 2 255.321 3.349 40 0 CGABLO C[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccccc1 ZINC000013837256 368668742 /nfs/dbraw/zinc/66/87/42/368668742.db2.gz PKTFKEMGTLRMEF-NSHDSACASA-N 1 2 257.362 3.129 40 0 CGABLO Cc1[nH]c([C@@H]2CCCN2C(=O)OC(C)(C)C)[nH+]c1C ZINC000095097345 370176328 /nfs/dbraw/zinc/17/63/28/370176328.db2.gz MNMIQGDJRHBNQF-NSHDSACASA-N 1 2 265.357 3.099 40 0 CGABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2csc(C)n2)ccn1 ZINC000257237939 190017489 /nfs/dbraw/zinc/01/74/89/190017489.db2.gz HIXHXXVTCSWVBM-AWEZNQCLSA-N 1 2 288.420 3.225 40 0 CGABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2csc(C)n2)ccn1 ZINC000257237939 190017490 /nfs/dbraw/zinc/01/74/90/190017490.db2.gz HIXHXXVTCSWVBM-AWEZNQCLSA-N 1 2 288.420 3.225 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2Cc2ccc(F)c(F)c2)[nH+]1 ZINC000257280813 190025352 /nfs/dbraw/zinc/02/53/52/190025352.db2.gz OMNPSFCFANTNTE-AWEZNQCLSA-N 1 2 277.318 3.333 40 0 CGABLO COc1ccccc1-c1cnc(C[C@H]2CCC[NH2+]CC2)cn1 ZINC000257323738 190033950 /nfs/dbraw/zinc/03/39/50/190033950.db2.gz WLQFTAOOVNGHNX-AWEZNQCLSA-N 1 2 297.402 3.084 40 0 CGABLO CC(C)[N@@H+]1CCC[C@H](c2cccc(-c3cncn3C)n2)C1 ZINC000257326007 190034062 /nfs/dbraw/zinc/03/40/62/190034062.db2.gz WVJOIDWDZSEMHB-AWEZNQCLSA-N 1 2 284.407 3.070 40 0 CGABLO CC(C)[N@H+]1CCC[C@H](c2cccc(-c3cncn3C)n2)C1 ZINC000257326007 190034063 /nfs/dbraw/zinc/03/40/63/190034063.db2.gz WVJOIDWDZSEMHB-AWEZNQCLSA-N 1 2 284.407 3.070 40 0 CGABLO CCN(CC)c1[nH+]cc([C@@H](O)c2ccccc2)cc1C ZINC000072222227 256706694 /nfs/dbraw/zinc/70/66/94/256706694.db2.gz IMFUENZNHRFCEY-INIZCTEOSA-N 1 2 270.376 3.318 40 0 CGABLO Cc1ccc([C@H]([NH3+])c2nc(-c3ccccc3C)n[nH]2)cc1 ZINC000095534142 392243968 /nfs/dbraw/zinc/24/39/68/392243968.db2.gz CQSJHQZEVHMITD-HNNXBMFYSA-N 1 2 278.359 3.137 40 0 CGABLO c1cc([C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000072369521 176384404 /nfs/dbraw/zinc/38/44/04/176384404.db2.gz UDFLNTZPTVBTJH-INIZCTEOSA-N 1 2 295.386 3.065 40 0 CGABLO c1cc([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000072369521 176384405 /nfs/dbraw/zinc/38/44/05/176384405.db2.gz UDFLNTZPTVBTJH-INIZCTEOSA-N 1 2 295.386 3.065 40 0 CGABLO C[C@H](CC(=O)Nc1nc(C(C)(C)C)cs1)n1cc[nH+]c1 ZINC000019455538 368752723 /nfs/dbraw/zinc/75/27/23/368752723.db2.gz ZKCKETQCZAQINA-SNVBAGLBSA-N 1 2 292.408 3.227 40 0 CGABLO COc1ccc(CNc2cn[nH+]c3ccccc23)cc1 ZINC000041122903 369176039 /nfs/dbraw/zinc/17/60/39/369176039.db2.gz UMIYCAPBIUCTSZ-UHFFFAOYSA-N 1 2 265.316 3.251 40 0 CGABLO Cc1csc(C(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)c1 ZINC000257245956 190019080 /nfs/dbraw/zinc/01/90/80/190019080.db2.gz IRVJPXSQSHDNOY-LBPRGKRZSA-N 1 2 289.404 3.108 40 0 CGABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cn2)n1 ZINC000257286478 190026704 /nfs/dbraw/zinc/02/67/04/190026704.db2.gz PLSNBDREVMIBMO-HNNXBMFYSA-N 1 2 288.782 3.171 40 0 CGABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cn2)n1 ZINC000257286478 190026705 /nfs/dbraw/zinc/02/67/05/190026705.db2.gz PLSNBDREVMIBMO-HNNXBMFYSA-N 1 2 288.782 3.171 40 0 CGABLO Nc1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212414 392197781 /nfs/dbraw/zinc/19/77/81/392197781.db2.gz XJLJULIMJPXTLQ-HNNXBMFYSA-N 1 2 297.358 3.138 40 0 CGABLO CC(=O)N1CCCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213872 392198686 /nfs/dbraw/zinc/19/86/86/392198686.db2.gz LKKBAWHFLCKPGQ-OAHLLOKOSA-N 1 2 273.380 3.120 40 0 CGABLO Nc1cc(Cl)c(NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000096524283 392257331 /nfs/dbraw/zinc/25/73/31/392257331.db2.gz XBFPVGVWFGRTLV-UHFFFAOYSA-N 1 2 285.178 3.274 40 0 CGABLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@H](F)C1 ZINC000450607142 286487149 /nfs/dbraw/zinc/48/71/49/286487149.db2.gz WNOLZEKJALSLSF-NSHDSACASA-N 1 2 260.312 3.100 40 0 CGABLO Cc1ccc(-c2nn(C[NH+]3CCCC3)c(=S)o2)cc1 ZINC000006996915 170260731 /nfs/dbraw/zinc/26/07/31/170260731.db2.gz ZGFQEXOYJGLVBD-UHFFFAOYSA-N 1 2 275.377 3.234 40 0 CGABLO CCOCCCn1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040403254 174253724 /nfs/dbraw/zinc/25/37/24/174253724.db2.gz YGWJWEOYQAQWPM-UHFFFAOYSA-N 1 2 296.798 3.041 40 0 CGABLO C[C@H]1C[C@H](C)CN(c2ccc3cccc(O)c3[nH+]2)C1 ZINC000041669428 278490102 /nfs/dbraw/zinc/49/01/02/278490102.db2.gz UCULUPVOLPBLEB-RYUDHWBXSA-N 1 2 256.349 3.423 40 0 CGABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccco2)CC1 ZINC000226254026 136386371 /nfs/dbraw/zinc/38/63/71/136386371.db2.gz WBKGNQNFKFFHNY-UHFFFAOYSA-N 1 2 299.374 3.350 40 0 CGABLO CCCC(=O)Nc1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000226253524 136386407 /nfs/dbraw/zinc/38/64/07/136386407.db2.gz FEAFQNOPJIRBNE-UHFFFAOYSA-N 1 2 275.396 3.244 40 0 CGABLO c1ccc(NC(Nc2cccc[nH+]2)c2ccncc2)[nH+]c1 ZINC000001728077 368435710 /nfs/dbraw/zinc/43/57/10/368435710.db2.gz RUWUCMYFYDRODE-UHFFFAOYSA-N 1 2 277.331 3.094 40 0 CGABLO c1ccc(NC(Nc2cccc[nH+]2)c2ccncc2)nc1 ZINC000001728077 368435719 /nfs/dbraw/zinc/43/57/19/368435719.db2.gz RUWUCMYFYDRODE-UHFFFAOYSA-N 1 2 277.331 3.094 40 0 CGABLO C[C@H](Cc1ccccc1)N([NH3+])[C@@H](C)Cc1ccccc1 ZINC000019167492 368745712 /nfs/dbraw/zinc/74/57/12/368745712.db2.gz QVOJXFDCMPKDQW-IYBDPMFKSA-N 1 2 268.404 3.425 40 0 CGABLO CCCn1c(C)cc2cc(NC(=O)Cn3cc[nH+]c3)ccc21 ZINC000019525988 368757112 /nfs/dbraw/zinc/75/71/12/368757112.db2.gz FCTOCDNUUOKKMY-UHFFFAOYSA-N 1 2 296.374 3.195 40 0 CGABLO Cc1cc2[nH+]cn([C@H](C)C(=O)OC(C)C)c2cc1C ZINC000026474450 368859470 /nfs/dbraw/zinc/85/94/70/368859470.db2.gz ITVYDIXJYSJFSF-GFCCVEGCSA-N 1 2 260.337 3.166 40 0 CGABLO c1cc2c(s1)CCN(C[N@@H+]1CCc3sccc3C1)C2 ZINC000034058174 368971119 /nfs/dbraw/zinc/97/11/19/368971119.db2.gz DKCMNBFDEGYFGS-UHFFFAOYSA-N 1 2 290.457 3.184 40 0 CGABLO c1cc2c(s1)CCN(C[N@H+]1CCc3sccc3C1)C2 ZINC000034058174 368971121 /nfs/dbraw/zinc/97/11/21/368971121.db2.gz DKCMNBFDEGYFGS-UHFFFAOYSA-N 1 2 290.457 3.184 40 0 CGABLO c1cc(-c2cnc3n2CC[N@@H+](Cc2cccnc2)C3)cs1 ZINC000306134595 374128199 /nfs/dbraw/zinc/12/81/99/374128199.db2.gz NSWGXBRSPOBDLK-UHFFFAOYSA-N 1 2 296.399 3.022 40 0 CGABLO c1cc(-c2cnc3n2CC[N@H+](Cc2cccnc2)C3)cs1 ZINC000306134595 374128210 /nfs/dbraw/zinc/12/82/10/374128210.db2.gz NSWGXBRSPOBDLK-UHFFFAOYSA-N 1 2 296.399 3.022 40 0 CGABLO CC(C)n1ccc(C[NH2+]Cc2cnn(C3CCCC3)c2)n1 ZINC000256050360 190003351 /nfs/dbraw/zinc/00/33/51/190003351.db2.gz DSYYPORUOFKBMN-UHFFFAOYSA-N 1 2 287.411 3.065 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2cccs2)[nH+]1 ZINC000257328325 190034774 /nfs/dbraw/zinc/03/47/74/190034774.db2.gz XFDWREKYYFOVFE-ZDUSSCGKSA-N 1 2 289.404 3.076 40 0 CGABLO Cc1ccc(CCCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225390130 376305690 /nfs/dbraw/zinc/30/56/90/376305690.db2.gz FQWUIMIMIYOWGG-UHFFFAOYSA-N 1 2 285.416 3.309 40 0 CGABLO COc1ccc([NH2+]CC[C@@H](O)c2ccccc2)cc1 ZINC000005335366 170087117 /nfs/dbraw/zinc/08/71/17/170087117.db2.gz GZCCGQUADRNNJS-MRXNPFEDSA-N 1 2 257.333 3.231 40 0 CGABLO CCC1=[NH+]c2sc3c(c2[C@@H]2NN[C@@H](CC)N12)CCCC3 ZINC000096305922 276221559 /nfs/dbraw/zinc/22/15/59/276221559.db2.gz NWHIEONSEBOYLJ-TZMCWYRMSA-N 1 2 290.436 3.225 40 0 CGABLO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccco2)c1 ZINC000226253991 136386723 /nfs/dbraw/zinc/38/67/23/136386723.db2.gz RKYPNOIPTHFKMV-UHFFFAOYSA-N 1 2 285.347 3.104 40 0 CGABLO CC[C@H](C)Nc1nc(Nc2ccccc2C)cc(C2CC2)[nH+]1 ZINC000328970702 202136119 /nfs/dbraw/zinc/13/61/19/202136119.db2.gz DLGPUWYCGOEGIE-ZDUSSCGKSA-N 1 2 296.418 3.460 40 0 CGABLO OCC[N@H+](Cc1cccs1)Cc1cc(F)ccc1F ZINC000013997480 368672541 /nfs/dbraw/zinc/67/25/41/368672541.db2.gz VBZDGPBFICNXCL-UHFFFAOYSA-N 1 2 283.343 3.021 40 0 CGABLO OCC[N@@H+](Cc1cccs1)Cc1cc(F)ccc1F ZINC000013997480 368672547 /nfs/dbraw/zinc/67/25/47/368672547.db2.gz VBZDGPBFICNXCL-UHFFFAOYSA-N 1 2 283.343 3.021 40 0 CGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H]1c1cccnc1 ZINC000342701705 377743467 /nfs/dbraw/zinc/74/34/67/377743467.db2.gz ASYQWXRDRYBKPD-HNNXBMFYSA-N 1 2 278.359 3.310 40 0 CGABLO Fc1ccccc1C[NH2+]Cc1csc(C2CC2)n1 ZINC000069877646 392176095 /nfs/dbraw/zinc/17/60/95/392176095.db2.gz ZTKBVGNTLJWCGY-UHFFFAOYSA-N 1 2 262.353 3.449 40 0 CGABLO Cc1cc(N2CCc3ccccc3C2)[nH+]cc1[C@H](C)O ZINC000072223890 392203167 /nfs/dbraw/zinc/20/31/67/392203167.db2.gz SBZZKQWAQKGYSR-ZDUSSCGKSA-N 1 2 268.360 3.006 40 0 CGABLO Cc1[nH+]c(N2CCCC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224522 392204306 /nfs/dbraw/zinc/20/43/06/392204306.db2.gz JADWKGMLBXKAAS-KRWDZBQOSA-N 1 2 268.360 3.072 40 0 CGABLO CC(C)n1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040417354 174256078 /nfs/dbraw/zinc/25/60/78/174256078.db2.gz ICKNCDPNCYXXCP-UHFFFAOYSA-N 1 2 252.745 3.196 40 0 CGABLO Cc1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000072366795 176381799 /nfs/dbraw/zinc/38/17/99/176381799.db2.gz WFHCQFCEZVGSIO-CQSZACIVSA-N 1 2 277.318 3.333 40 0 CGABLO Cc1c[nH]nc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000072366795 176381801 /nfs/dbraw/zinc/38/18/01/176381801.db2.gz WFHCQFCEZVGSIO-CQSZACIVSA-N 1 2 277.318 3.333 40 0 CGABLO Cc1cc(N2CCC(C)CC2)[nH+]c2c(N)cccc12 ZINC000685938161 544110410 /nfs/dbraw/zinc/11/04/10/544110410.db2.gz LDAGCPJWPXXTTD-UHFFFAOYSA-N 1 2 255.365 3.362 40 0 CGABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000072212388 278386968 /nfs/dbraw/zinc/38/69/68/278386968.db2.gz NHEWRHDAVZNDGQ-GFCCVEGCSA-N 1 2 277.368 3.126 40 0 CGABLO Cc1ccccc1[C@H](C)NC(=S)Nc1cc[nH+]cc1 ZINC000225755367 327940844 /nfs/dbraw/zinc/94/08/44/327940844.db2.gz SORFVOBSLDUCLJ-LBPRGKRZSA-N 1 2 271.389 3.438 40 0 CGABLO CC(C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000328970399 136377348 /nfs/dbraw/zinc/37/73/48/136377348.db2.gz DLAGACJVBGLZSN-ZDUSSCGKSA-N 1 2 282.391 3.248 40 0 CGABLO CC(C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]cn1 ZINC000328970399 136377349 /nfs/dbraw/zinc/37/73/49/136377349.db2.gz DLAGACJVBGLZSN-ZDUSSCGKSA-N 1 2 282.391 3.248 40 0 CGABLO CCC1=[NH+]c2sc3c(c2[C@H]2NN[C@@H](CC)N12)CCCC3 ZINC000096305924 282535881 /nfs/dbraw/zinc/53/58/81/282535881.db2.gz NWHIEONSEBOYLJ-OCCSQVGLSA-N 1 2 290.436 3.225 40 0 CGABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000328972088 202134220 /nfs/dbraw/zinc/13/42/20/202134220.db2.gz DSVCCRWZNVNNGR-UHFFFAOYSA-N 1 2 284.338 3.233 40 0 CGABLO CC[C@@H](C)Nc1nc(Nc2ccccc2)cc(C2CC2)[nH+]1 ZINC000329040768 202164871 /nfs/dbraw/zinc/16/48/71/202164871.db2.gz SFFGZECUPPMJPW-GFCCVEGCSA-N 1 2 282.391 3.152 40 0 CGABLO CCOC(=O)[C@@H](CC)C1=[NH+]C(C)(C)Cc2ccccc21 ZINC000000354483 368347390 /nfs/dbraw/zinc/34/73/90/368347390.db2.gz WOMAQBUDWMNYNI-ZDUSSCGKSA-N 1 2 273.376 3.400 40 0 CGABLO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)cn1 ZINC000019524923 368757210 /nfs/dbraw/zinc/75/72/10/368757210.db2.gz HWODDJIMJLEFJS-INIZCTEOSA-N 1 2 288.395 3.317 40 0 CGABLO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)cn1 ZINC000019524923 368757213 /nfs/dbraw/zinc/75/72/13/368757213.db2.gz HWODDJIMJLEFJS-INIZCTEOSA-N 1 2 288.395 3.317 40 0 CGABLO c1ccc(CO[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000031911758 368921061 /nfs/dbraw/zinc/92/10/61/368921061.db2.gz RNHGFWLHLPQFEO-LJQANCHMSA-N 1 2 297.398 3.277 40 0 CGABLO COc1ccc(-c2[nH]c3c(cc(C)cc3C)[nH+]2)cc1N ZINC000070462796 369802291 /nfs/dbraw/zinc/80/22/91/369802291.db2.gz CGOVXRCXUZXKKB-UHFFFAOYSA-N 1 2 267.332 3.438 40 0 CGABLO Fc1cccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c1F ZINC000257228169 190016540 /nfs/dbraw/zinc/01/65/40/190016540.db2.gz FSPXSQIHGBEBTB-AWEZNQCLSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1cccc(C[N@H+]2CCC[C@H]2c2cnccn2)c1F ZINC000257228169 190016541 /nfs/dbraw/zinc/01/65/41/190016541.db2.gz FSPXSQIHGBEBTB-AWEZNQCLSA-N 1 2 275.302 3.092 40 0 CGABLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)s1 ZINC000252498853 377632567 /nfs/dbraw/zinc/63/25/67/377632567.db2.gz RNWBHVLPBFYIMB-UHFFFAOYSA-N 1 2 287.319 3.325 40 0 CGABLO Cc1cc([C@H]2CCCCN2C=O)c[nH+]c1N1CCCCC1 ZINC000072219193 392200616 /nfs/dbraw/zinc/20/06/16/392200616.db2.gz IZGRGCCAMHQRFR-MRXNPFEDSA-N 1 2 287.407 3.064 40 0 CGABLO CC[C@H](O)c1c[nH+]c(N2CCc3ccccc3C2)c(C)c1 ZINC000072222847 392201758 /nfs/dbraw/zinc/20/17/58/392201758.db2.gz VJUVVCCDLACGIG-KRWDZBQOSA-N 1 2 282.387 3.396 40 0 CGABLO CC(C)(C)Nc1ccc(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072225826 392204462 /nfs/dbraw/zinc/20/44/62/392204462.db2.gz KFTXSTDGAKUTOG-UHFFFAOYSA-N 1 2 279.384 3.317 40 0 CGABLO COc1ccc([NH2+]CC[C@H](O)c2ccccc2)cc1 ZINC000005335362 170087083 /nfs/dbraw/zinc/08/70/83/170087083.db2.gz GZCCGQUADRNNJS-INIZCTEOSA-N 1 2 257.333 3.231 40 0 CGABLO CC(C)(C)OC(=O)N1CCC[C@H](COc2cc[nH+]cc2)C1 ZINC000039954091 174177901 /nfs/dbraw/zinc/17/79/01/174177901.db2.gz IREKEOCUZZBKGO-ZDUSSCGKSA-N 1 2 292.379 3.108 40 0 CGABLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000072357066 176376185 /nfs/dbraw/zinc/37/61/85/176376185.db2.gz PVNXSNCQXCZPBT-AWEZNQCLSA-N 1 2 261.756 3.400 40 0 CGABLO Clc1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000072357066 176376186 /nfs/dbraw/zinc/37/61/86/176376186.db2.gz PVNXSNCQXCZPBT-AWEZNQCLSA-N 1 2 261.756 3.400 40 0 CGABLO Cc1cc(=O)oc2c(C)c3oc4c(c3cc12)C[N@H+](C)CC4 ZINC000031772266 280306169 /nfs/dbraw/zinc/30/61/69/280306169.db2.gz WXKIKAAOFVWTCB-UHFFFAOYSA-N 1 2 283.327 3.144 40 0 CGABLO Cc1cc(=O)oc2c(C)c3oc4c(c3cc12)C[N@@H+](C)CC4 ZINC000031772266 280306170 /nfs/dbraw/zinc/30/61/70/280306170.db2.gz WXKIKAAOFVWTCB-UHFFFAOYSA-N 1 2 283.327 3.144 40 0 CGABLO O=C(C[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000019831319 295542900 /nfs/dbraw/zinc/54/29/00/295542900.db2.gz PSONCHPWSNITBC-GOSISDBHSA-N 1 2 295.382 3.333 40 0 CGABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H]1c1cccnc1 ZINC000342701706 302902276 /nfs/dbraw/zinc/90/22/76/302902276.db2.gz ASYQWXRDRYBKPD-OAHLLOKOSA-N 1 2 278.359 3.310 40 0 CGABLO CCCC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226253545 136386712 /nfs/dbraw/zinc/38/67/12/136386712.db2.gz MOKAWWMKOKHUAN-LBPRGKRZSA-N 1 2 275.396 3.386 40 0 CGABLO CCCC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226253545 136386713 /nfs/dbraw/zinc/38/67/13/136386713.db2.gz MOKAWWMKOKHUAN-LBPRGKRZSA-N 1 2 275.396 3.386 40 0 CGABLO O=C(Nc1cc(Cl)ccc1F)c1ccc2[nH+]ccn2c1 ZINC000057777676 345187538 /nfs/dbraw/zinc/18/75/38/345187538.db2.gz GRMPWCDTFWZLRX-UHFFFAOYSA-N 1 2 289.697 3.379 40 0 CGABLO COc1cc2c[nH+]c(-c3ccncc3)c(O)c2cc1OC ZINC000013207910 368646870 /nfs/dbraw/zinc/64/68/70/368646870.db2.gz CCDVPAUZEAHMLP-UHFFFAOYSA-N 1 2 282.299 3.020 40 0 CGABLO CCCOC([NH2+][C@@H](C)c1ccc(O)c(OC)c1)OCCC ZINC000024717734 368834392 /nfs/dbraw/zinc/83/43/92/368834392.db2.gz HARPLYONWHDIEK-LBPRGKRZSA-N 1 2 297.395 3.188 40 0 CGABLO CNc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328960998 374396896 /nfs/dbraw/zinc/39/68/96/374396896.db2.gz AZXQYLCORJKKAG-UHFFFAOYSA-N 1 2 292.342 3.056 40 0 CGABLO O=C(C1CCCC1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257215491 190012808 /nfs/dbraw/zinc/01/28/08/190012808.db2.gz CQILZBLUDLNWRX-UHFFFAOYSA-N 1 2 297.402 3.231 40 0 CGABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccco1 ZINC000226254001 376346495 /nfs/dbraw/zinc/34/64/95/376346495.db2.gz ZGJNYCUXXQOZTM-GFCCVEGCSA-N 1 2 299.374 3.493 40 0 CGABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccco1 ZINC000226254001 376346500 /nfs/dbraw/zinc/34/65/00/376346500.db2.gz ZGJNYCUXXQOZTM-GFCCVEGCSA-N 1 2 299.374 3.493 40 0 CGABLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1F ZINC000257291563 377795389 /nfs/dbraw/zinc/79/53/89/377795389.db2.gz QHOBNLRVAGKVMF-OAHLLOKOSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1F ZINC000257291563 377795398 /nfs/dbraw/zinc/79/53/98/377795398.db2.gz QHOBNLRVAGKVMF-OAHLLOKOSA-N 1 2 275.302 3.092 40 0 CGABLO CC[C@H](C)Nc1ccc([C@@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072213566 256712669 /nfs/dbraw/zinc/71/26/69/256712669.db2.gz QCDTUISFIHXEFQ-WFASDCNBSA-N 1 2 275.396 3.366 40 0 CGABLO CCCCNc1ccc([C@@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072213692 256712988 /nfs/dbraw/zinc/71/29/88/256712988.db2.gz UCUYUZQQMMANEJ-HNNXBMFYSA-N 1 2 275.396 3.367 40 0 CGABLO CN(C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212594 392199227 /nfs/dbraw/zinc/19/92/27/392199227.db2.gz AIGDVFGDCWBRHP-ZDUSSCGKSA-N 1 2 291.395 3.220 40 0 CGABLO CC[C@@H](O)c1c[nH+]c(NCc2ccccc2)c(C)c1 ZINC000072222332 392201250 /nfs/dbraw/zinc/20/12/50/392201250.db2.gz NUHCQEPWMZHLOJ-OAHLLOKOSA-N 1 2 256.349 3.446 40 0 CGABLO Cc1cc(N2CCc3ccccc32)[nH+]cc1[C@H](C)O ZINC000072223944 392203341 /nfs/dbraw/zinc/20/33/41/392203341.db2.gz JYSKSXRYSNUFHA-LBPRGKRZSA-N 1 2 254.333 3.138 40 0 CGABLO Cc1[nH+]c(N2CCOCC2)ccc1SC(C)(C)C ZINC000072224609 392204447 /nfs/dbraw/zinc/20/44/47/392204447.db2.gz CSVVLVGAMFDMSC-UHFFFAOYSA-N 1 2 266.410 3.117 40 0 CGABLO C[C@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[N@@H+]1C ZINC000005160680 170072234 /nfs/dbraw/zinc/07/22/34/170072234.db2.gz BUNBXUGCVXCJTF-UFBFGSQYSA-N 1 2 285.174 3.191 40 0 CGABLO C[C@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[N@H+]1C ZINC000005160680 170072235 /nfs/dbraw/zinc/07/22/35/170072235.db2.gz BUNBXUGCVXCJTF-UFBFGSQYSA-N 1 2 285.174 3.191 40 0 CGABLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000528773881 270173150 /nfs/dbraw/zinc/17/31/50/270173150.db2.gz RXVWUMIOUQBEPM-VIFPVBQESA-N 1 2 260.715 3.355 40 0 CGABLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(Cl)cn1 ZINC000528773881 270173151 /nfs/dbraw/zinc/17/31/51/270173151.db2.gz RXVWUMIOUQBEPM-VIFPVBQESA-N 1 2 260.715 3.355 40 0 CGABLO CCn1cc(-c2cc(N)c3ccccc3[nH+]2)c(C)n1 ZINC001548919377 937999021 /nfs/dbraw/zinc/99/90/21/937999021.db2.gz NKKBKJSJSKNOHC-UHFFFAOYSA-N 1 2 252.321 3.009 40 0 CGABLO CCNc1nc(Nc2c(C)cc(C)cc2C)cc(C2CC2)[nH+]1 ZINC000329006808 202149062 /nfs/dbraw/zinc/14/90/62/202149062.db2.gz LGAMUNQIBLHMOI-UHFFFAOYSA-N 1 2 296.418 3.298 40 0 CGABLO C[C@@H](Cc1ccccc1)N[NH2+][C@@H](C)Cc1ccccc1 ZINC000019167461 368745429 /nfs/dbraw/zinc/74/54/29/368745429.db2.gz WEPWCOQRTFRBOY-HOTGVXAUSA-N 1 2 268.404 3.343 40 0 CGABLO O=CN1CCCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216734 369815519 /nfs/dbraw/zinc/81/55/19/369815519.db2.gz HFVDORSCHWTRLS-INIZCTEOSA-N 1 2 287.407 3.145 40 0 CGABLO CC(C)[NH+](c1ccc(N)cc1C(=O)N1CCCC1)C(C)C ZINC000226323589 376351995 /nfs/dbraw/zinc/35/19/95/376351995.db2.gz PFINVMQYSCKKNA-UHFFFAOYSA-N 1 2 289.423 3.128 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000257267111 393136071 /nfs/dbraw/zinc/13/60/71/393136071.db2.gz MGACSVYWLVNFTB-OAHLLOKOSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1ncccc1C ZINC000257267111 393136079 /nfs/dbraw/zinc/13/60/79/393136079.db2.gz MGACSVYWLVNFTB-OAHLLOKOSA-N 1 2 270.380 3.149 40 0 CGABLO CCOC(=O)c1c[nH+]c2cc(C(F)(F)F)ccc2c1N ZINC000040164038 174196741 /nfs/dbraw/zinc/19/67/41/174196741.db2.gz SLYUTFOLCIILIZ-UHFFFAOYSA-N 1 2 284.237 3.013 40 0 CGABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N ZINC000072212444 278387060 /nfs/dbraw/zinc/38/70/60/278387060.db2.gz QDMOTERXKJMGEX-GFCCVEGCSA-N 1 2 277.368 3.126 40 0 CGABLO COc1ccc([C@H]2C[N@H+](C)COC23CCCCC3)cc1 ZINC000004343369 295250169 /nfs/dbraw/zinc/25/01/69/295250169.db2.gz LAMCFGHHGFIVSC-MRXNPFEDSA-N 1 2 275.392 3.401 40 0 in-vitro CGABLO COc1ccc([C@H]2C[N@@H+](C)COC23CCCCC3)cc1 ZINC000004343369 295250170 /nfs/dbraw/zinc/25/01/70/295250170.db2.gz LAMCFGHHGFIVSC-MRXNPFEDSA-N 1 2 275.392 3.401 40 0 in-vitro CGABLO CCn1ncc(-c2cc(N)c3ccccc3[nH+]2)c1C ZINC001548919409 937999049 /nfs/dbraw/zinc/99/90/49/937999049.db2.gz RDJVOCISXHLPSK-UHFFFAOYSA-N 1 2 252.321 3.009 40 0 CGABLO Cc1cccc(-c2n[nH]c([C@H]([NH3+])Cc3ccccc3)n2)c1 ZINC000095534912 185008359 /nfs/dbraw/zinc/00/83/59/185008359.db2.gz CDVCXOPXYSKSHV-OAHLLOKOSA-N 1 2 278.359 3.023 40 0 CGABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000328958937 202129219 /nfs/dbraw/zinc/12/92/19/202129219.db2.gz AQUDOKRDNOZVPX-UHFFFAOYSA-N 1 2 280.375 3.402 40 0 CGABLO CCc1c(N)[nH+]c(N)nc1Nc1ccc(Cl)c(Cl)c1 ZINC000001682047 368431461 /nfs/dbraw/zinc/43/14/61/368431461.db2.gz QRWAYTGXIVVNFW-UHFFFAOYSA-N 1 2 298.177 3.254 40 0 CGABLO Brc1cccc(CNc2cccc[nH+]2)c1 ZINC000019776918 368765699 /nfs/dbraw/zinc/76/56/99/368765699.db2.gz ZQRXGHVEQLRERB-UHFFFAOYSA-N 1 2 263.138 3.456 40 0 CGABLO O=C(NCc1[nH]cc[nH+]1)c1cccc(-c2ccc(F)cc2)c1 ZINC000019293284 368748755 /nfs/dbraw/zinc/74/87/55/368748755.db2.gz ZVKMCSFXDDLQFI-UHFFFAOYSA-N 1 2 295.317 3.146 40 0 CGABLO CCSc1nc(Nc2ccccc2F)cc(N)[nH+]1 ZINC000049467478 369402690 /nfs/dbraw/zinc/40/26/90/369402690.db2.gz VLOGRPYMBKFJMU-UHFFFAOYSA-N 1 2 264.329 3.054 40 0 CGABLO CCOc1ccc(Nc2cc(N)[nH+]c(C3CC3)n2)cc1 ZINC000049467630 369402770 /nfs/dbraw/zinc/40/27/70/369402770.db2.gz HUFBPULQAREDQW-UHFFFAOYSA-N 1 2 270.336 3.079 40 0 CGABLO CC(=O)N1CCCC[C@@H]1c1c[nH+]c(N2CCCC2)c(C)c1 ZINC000072218835 369815972 /nfs/dbraw/zinc/81/59/72/369815972.db2.gz LWAZDAYOGFICPJ-MRXNPFEDSA-N 1 2 287.407 3.064 40 0 CGABLO O=C1CCC[C@]2(C[N@@H+](C3CCCC3)C[C@H]2c2ccccc2)N1 ZINC000257323237 190034308 /nfs/dbraw/zinc/03/43/08/190034308.db2.gz WJGXRHRFIUBZKO-PKOBYXMFSA-N 1 2 298.430 3.067 40 0 CGABLO O=C1CCC[C@]2(C[N@H+](C3CCCC3)C[C@H]2c2ccccc2)N1 ZINC000257323237 190034309 /nfs/dbraw/zinc/03/43/09/190034309.db2.gz WJGXRHRFIUBZKO-PKOBYXMFSA-N 1 2 298.430 3.067 40 0 CGABLO Clc1cccc(-c2[nH+]ccn2C[C@H]2CO2)c1Cl ZINC000096511333 392257416 /nfs/dbraw/zinc/25/74/16/392257416.db2.gz NXVWQWGHMOAMDG-QMMMGPOBSA-N 1 2 269.131 3.256 40 0 CGABLO Cc1cc(C)cc(NC(=O)C[NH+]2Cc3ccccc3C2)c1 ZINC000008335670 170331775 /nfs/dbraw/zinc/33/17/75/170331775.db2.gz PKMLQGQBXYBFSJ-UHFFFAOYSA-N 1 2 280.371 3.258 40 0 CGABLO CC(C)[N@@H+]1CCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000072384617 176388758 /nfs/dbraw/zinc/38/87/58/176388758.db2.gz NSUVACSTHAMCSY-GFCCVEGCSA-N 1 2 289.408 3.222 40 0 CGABLO CC(C)[N@H+]1CCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000072384617 176388759 /nfs/dbraw/zinc/38/87/59/176388759.db2.gz NSUVACSTHAMCSY-GFCCVEGCSA-N 1 2 289.408 3.222 40 0 CGABLO C[C@@H]1C[C@H](C)CN(c2ccc3cccc(O)c3[nH+]2)C1 ZINC000041669423 278003961 /nfs/dbraw/zinc/00/39/61/278003961.db2.gz UCULUPVOLPBLEB-TXEJJXNPSA-N 1 2 256.349 3.423 40 0 CGABLO Cc1cc(NCC2(C)CCC2)nc(-c2cccnc2)[nH+]1 ZINC000301563005 201071206 /nfs/dbraw/zinc/07/12/06/201071206.db2.gz PEHNWIWCANXTHO-UHFFFAOYSA-N 1 2 268.364 3.449 40 0 CGABLO O[C@@H](/C=C\c1ccccc1)Cc1[nH]c2ccccc2[nH+]1 ZINC000017175827 368730057 /nfs/dbraw/zinc/73/00/57/368730057.db2.gz HPAPYULRKWBJBF-BMSUMIBZSA-N 1 2 264.328 3.180 40 0 CGABLO CCCOC([NH2+][C@H](C)c1ccc(O)c(OC)c1)OCCC ZINC000024717737 368834359 /nfs/dbraw/zinc/83/43/59/368834359.db2.gz HARPLYONWHDIEK-GFCCVEGCSA-N 1 2 297.395 3.188 40 0 CGABLO CSc1nc(Nc2cc(C)cc(C)c2)cc(N)[nH+]1 ZINC000049467358 369402878 /nfs/dbraw/zinc/40/28/78/369402878.db2.gz GUQFWBQDNCDKKK-UHFFFAOYSA-N 1 2 260.366 3.141 40 0 CGABLO CSc1nc(N)cc(Nc2cc(C)cc(C)c2)[nH+]1 ZINC000049467358 369402880 /nfs/dbraw/zinc/40/28/80/369402880.db2.gz GUQFWBQDNCDKKK-UHFFFAOYSA-N 1 2 260.366 3.141 40 0 CGABLO CC[NH+](CC)c1ccc(-n2nnc3ccccc32)cc1 ZINC000073740184 369866107 /nfs/dbraw/zinc/86/61/07/369866107.db2.gz NCLYAHDJINNFCO-UHFFFAOYSA-N 1 2 266.348 3.267 40 0 CGABLO CC(C)n1ccc(C[NH2+]Cc2cc(F)ccc2F)n1 ZINC000084225352 370012395 /nfs/dbraw/zinc/01/23/95/370012395.db2.gz LJGJTOSHCDUWIK-UHFFFAOYSA-N 1 2 265.307 3.032 40 0 CGABLO CCCCc1[nH]c(CN2CCCC[C@H]2c2cc[nH]n2)c[nH+]1 ZINC000257249160 190020089 /nfs/dbraw/zinc/02/00/89/190020089.db2.gz JHAPDZKXWXAZGG-HNNXBMFYSA-N 1 2 287.411 3.203 40 0 CGABLO CCCCc1[nH]cc(CN2CCCC[C@H]2c2cc[nH]n2)[nH+]1 ZINC000257249160 190020090 /nfs/dbraw/zinc/02/00/90/190020090.db2.gz JHAPDZKXWXAZGG-HNNXBMFYSA-N 1 2 287.411 3.203 40 0 CGABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1NC1CC1 ZINC000072222770 392201517 /nfs/dbraw/zinc/20/15/17/392201517.db2.gz JWTICNLOBJZUAO-OAHLLOKOSA-N 1 2 254.333 3.046 40 0 CGABLO Cc1[nH+]c(N2CCc3ccccc3C2)ccc1[C@@H](C)O ZINC000072224931 392204314 /nfs/dbraw/zinc/20/43/14/392204314.db2.gz WOLCTIIVZFNSNW-CYBMUJFWSA-N 1 2 268.360 3.006 40 0 CGABLO CN1c2ccc(Cl)cc2[C@H](C2=CCCCC2)[NH2+]CC1=O ZINC000095890234 260558124 /nfs/dbraw/zinc/55/81/24/260558124.db2.gz YPQGZENVQVWYPK-INIZCTEOSA-N 1 2 290.794 3.448 40 0 CGABLO CC(=O)N1CCCC[C@H]1c1c[nH+]c(N2CCCC2)c(C)c1 ZINC000072218834 276967542 /nfs/dbraw/zinc/96/75/42/276967542.db2.gz LWAZDAYOGFICPJ-INIZCTEOSA-N 1 2 287.407 3.064 40 0 CGABLO CC(C)c1nc2sc3c(c2c(NN)[nH+]1)CC[C@H](C)C3 ZINC000004888865 278078809 /nfs/dbraw/zinc/07/88/09/278078809.db2.gz TVPNEWKNUGGOKP-QMMMGPOBSA-N 1 2 276.409 3.225 40 0 CGABLO CNc1[nH+]cccc1/C=C/c1cccc(OC)c1C(=O)OC ZINC000035973588 369005542 /nfs/dbraw/zinc/00/55/42/369005542.db2.gz SJMPNJMJGZZYMG-MDZDMXLPSA-N 1 2 298.342 3.089 40 0 CGABLO CSc1nc(Nc2ccccc2Cl)cc(N)[nH+]1 ZINC000049467438 369402092 /nfs/dbraw/zinc/40/20/92/369402092.db2.gz RUQWURSOXCXUCI-UHFFFAOYSA-N 1 2 266.757 3.178 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1scnc1C ZINC000257253146 190020598 /nfs/dbraw/zinc/02/05/98/190020598.db2.gz JXSVUVUCAFQNSB-LBPRGKRZSA-N 1 2 276.409 3.210 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1scnc1C ZINC000257253146 190020599 /nfs/dbraw/zinc/02/05/99/190020599.db2.gz JXSVUVUCAFQNSB-LBPRGKRZSA-N 1 2 276.409 3.210 40 0 CGABLO CCCCc1[nH]c(CN2CCC[C@H]2c2cncc(C)n2)c[nH+]1 ZINC000257325630 190034476 /nfs/dbraw/zinc/03/44/76/190034476.db2.gz WTTJRQUHTRUSAC-INIZCTEOSA-N 1 2 299.422 3.188 40 0 CGABLO CCCCc1[nH]cc(CN2CCC[C@H]2c2cncc(C)n2)[nH+]1 ZINC000257325630 190034477 /nfs/dbraw/zinc/03/44/77/190034477.db2.gz WTTJRQUHTRUSAC-INIZCTEOSA-N 1 2 299.422 3.188 40 0 CGABLO c1cn(Cc2nc(-c3ccc4sccc4c3)no2)c[nH+]1 ZINC000558655517 377029843 /nfs/dbraw/zinc/02/98/43/377029843.db2.gz FOHNFRMYOGWBPE-UHFFFAOYSA-N 1 2 282.328 3.196 40 0 CGABLO CCCNc1[nH+]cc([C@H](O)c2ccccc2)cc1C ZINC000072222175 256706801 /nfs/dbraw/zinc/70/68/01/256706801.db2.gz XDTRVLLPIMGKHW-OAHLLOKOSA-N 1 2 256.349 3.294 40 0 CGABLO C=Cn1cc(C[N@@H+]2CCn3cccc3[C@@H]2CC)c(C)n1 ZINC000072397952 176395734 /nfs/dbraw/zinc/39/57/34/176395734.db2.gz OPOUYDMNRSTINT-HNNXBMFYSA-N 1 2 270.380 3.060 40 0 CGABLO C=Cn1cc(C[N@H+]2CCn3cccc3[C@@H]2CC)c(C)n1 ZINC000072397952 176395736 /nfs/dbraw/zinc/39/57/36/176395736.db2.gz OPOUYDMNRSTINT-HNNXBMFYSA-N 1 2 270.380 3.060 40 0 CGABLO CC(=O)Nc1cc([NH+]2[C@H](C)CCC[C@H]2C)c(C)cc1N ZINC000216864162 278185723 /nfs/dbraw/zinc/18/57/23/278185723.db2.gz XIVHQCCLBJLUJD-VXGBXAGGSA-N 1 2 275.396 3.303 40 0 CGABLO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000095534844 185008189 /nfs/dbraw/zinc/00/81/89/185008189.db2.gz YUJOXFMKTKXHPL-AWEZNQCLSA-N 1 2 298.777 3.368 40 0 CGABLO CC(C)(C)C1CCC(CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000125368960 187182277 /nfs/dbraw/zinc/18/22/77/187182277.db2.gz OSHXTNNGWZZVBG-UHFFFAOYSA-N 1 2 277.412 3.269 40 0 CGABLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000109826909 186274876 /nfs/dbraw/zinc/27/48/76/186274876.db2.gz KTHYCBRBAKWDBQ-HNNXBMFYSA-N 1 2 271.364 3.146 40 0 CGABLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ncc[nH]2)cc1 ZINC000109826909 186274878 /nfs/dbraw/zinc/27/48/78/186274878.db2.gz KTHYCBRBAKWDBQ-HNNXBMFYSA-N 1 2 271.364 3.146 40 0 CGABLO c1ccc2c(c1)CCC(C1=[NH+][C@H]3CCCC[C@@H]3N1)=N2 ZINC000005732136 368563986 /nfs/dbraw/zinc/56/39/86/368563986.db2.gz YADXPDGXHQTMBQ-KBPBESRZSA-N 1 2 253.349 3.018 40 0 CGABLO COc1cc2c(cc1OC)C(/C=C\c1ccco1)=[NH+]CC2 ZINC000013154273 368645412 /nfs/dbraw/zinc/64/54/12/368645412.db2.gz UMERQCUYCCZPMA-WAYWQWQTSA-N 1 2 283.327 3.355 40 0 CGABLO CNc1cc([C@H]2CCCN(C(=O)c3ccccc3)C2)cc[nH+]1 ZINC000257315483 190032778 /nfs/dbraw/zinc/03/27/78/190032778.db2.gz VBOURRCVMLLWPI-INIZCTEOSA-N 1 2 295.386 3.143 40 0 CGABLO O=C(c1cccs1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257337977 190036164 /nfs/dbraw/zinc/03/61/64/190036164.db2.gz YVGVXURARXOEOY-CYBMUJFWSA-N 1 2 297.383 3.373 40 0 CGABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[NH+]1CCC(C)CC1 ZINC000216864950 376168361 /nfs/dbraw/zinc/16/83/61/376168361.db2.gz DFQKCMMNVHJPDK-UHFFFAOYSA-N 1 2 289.423 3.408 40 0 CGABLO COc1ccc([C@H](C)NC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225467406 376311318 /nfs/dbraw/zinc/31/13/18/376311318.db2.gz BXGFAEVTQTWCTF-NSHDSACASA-N 1 2 287.388 3.138 40 0 CGABLO CC[C@@H](C)Nc1ccc([C@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072213567 392198742 /nfs/dbraw/zinc/19/87/42/392198742.db2.gz QCDTUISFIHXEFQ-IUODEOHRSA-N 1 2 275.396 3.366 40 0 CGABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C(C)=O ZINC000072213454 392199187 /nfs/dbraw/zinc/19/91/87/392199187.db2.gz HGBHNKQOQWNQOP-WFASDCNBSA-N 1 2 275.396 3.366 40 0 CGABLO CNc1[nH+]cc([C@H]2CCCN2C(=O)c2ccccc2)cc1C ZINC000072218988 392199805 /nfs/dbraw/zinc/19/98/05/392199805.db2.gz AAYPJMDOVKHKSG-MRXNPFEDSA-N 1 2 295.386 3.409 40 0 CGABLO Cc1cnc(Nc2nccc([C@@H]3CCCC[N@H+]3C)n2)s1 ZINC000072377388 392205649 /nfs/dbraw/zinc/20/56/49/392205649.db2.gz UUEIFCQQKDYMLK-LBPRGKRZSA-N 1 2 289.408 3.142 40 0 CGABLO Cc1cnc(Nc2nccc([C@@H]3CCCC[N@@H+]3C)n2)s1 ZINC000072377388 392205652 /nfs/dbraw/zinc/20/56/52/392205652.db2.gz UUEIFCQQKDYMLK-LBPRGKRZSA-N 1 2 289.408 3.142 40 0 CGABLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1cccs1 ZINC000005627758 170121438 /nfs/dbraw/zinc/12/14/38/170121438.db2.gz SAMHSMYJLQIABL-LLVKDONJSA-N 1 2 299.399 3.284 40 0 CGABLO Cc1cc(N2CCC(C)CC2)[nH+]c2c(O)cccc12 ZINC000685938237 544110108 /nfs/dbraw/zinc/11/01/08/544110108.db2.gz MPQAOZGBSOQYGQ-UHFFFAOYSA-N 1 2 256.349 3.485 40 0 CGABLO Cc1ccccc1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329006780 202149952 /nfs/dbraw/zinc/14/99/52/202149952.db2.gz LEPDALJDSBBTDY-UHFFFAOYSA-N 1 2 282.391 3.070 40 0 CGABLO CC(=O)NCCCCCc1[nH+]c2ccccc2n1C(C)C ZINC000016776819 368721384 /nfs/dbraw/zinc/72/13/84/368721384.db2.gz ROCWGXSHLUPFDY-UHFFFAOYSA-N 1 2 287.407 3.466 40 0 CGABLO CCn1c(C)[nH+]c2cc(NC(=O)c3oc(C)nc3C)ccc21 ZINC000019657673 368760370 /nfs/dbraw/zinc/76/03/70/368760370.db2.gz PDXXYQOLEAWLTK-UHFFFAOYSA-N 1 2 298.346 3.222 40 0 CGABLO Cc1cc2[nH+]cn([C@@H](C)C(=O)OC(C)C)c2cc1C ZINC000026474459 368859942 /nfs/dbraw/zinc/85/99/42/368859942.db2.gz ITVYDIXJYSJFSF-LBPRGKRZSA-N 1 2 260.337 3.166 40 0 CGABLO CC[NH+](CC)CN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000026921176 368866250 /nfs/dbraw/zinc/86/62/50/368866250.db2.gz CEIUSYKATLHYDA-DHZHZOJOSA-N 1 2 296.417 3.084 40 0 CGABLO CC(C)n1nc(Cn2cccc2)c2c1C[N@H+](CC1CC1)C2 ZINC000096259152 370209265 /nfs/dbraw/zinc/20/92/65/370209265.db2.gz RATYBXANRINDDK-UHFFFAOYSA-N 1 2 284.407 3.039 40 0 CGABLO CC(C)n1nc(Cn2cccc2)c2c1C[N@@H+](CC1CC1)C2 ZINC000096259152 370209272 /nfs/dbraw/zinc/20/92/72/370209272.db2.gz RATYBXANRINDDK-UHFFFAOYSA-N 1 2 284.407 3.039 40 0 CGABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257249421 190020327 /nfs/dbraw/zinc/02/03/27/190020327.db2.gz JIGYKWQOWZNFJB-INIZCTEOSA-N 1 2 295.386 3.331 40 0 CGABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257249421 190020328 /nfs/dbraw/zinc/02/03/28/190020328.db2.gz JIGYKWQOWZNFJB-INIZCTEOSA-N 1 2 295.386 3.331 40 0 CGABLO Cc1c[nH]c([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000257323931 190034272 /nfs/dbraw/zinc/03/42/72/190034272.db2.gz WMLWIFSFKIESML-INIZCTEOSA-N 1 2 269.392 3.140 40 0 CGABLO Cc1c[nH]c([C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000257323931 190034273 /nfs/dbraw/zinc/03/42/73/190034273.db2.gz WMLWIFSFKIESML-INIZCTEOSA-N 1 2 269.392 3.140 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)[nH+]1 ZINC000257329131 190034500 /nfs/dbraw/zinc/03/45/00/190034500.db2.gz XIQDAFWEZWSCIT-HNNXBMFYSA-N 1 2 295.386 3.113 40 0 CGABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)C(C)(C)C ZINC000226260452 376347918 /nfs/dbraw/zinc/34/79/18/376347918.db2.gz MVDQUTMSBJNJJG-UHFFFAOYSA-N 1 2 263.385 3.100 40 0 CGABLO Cc1cnc(C2(C)CCN(c3cc(C)[nH+]cn3)CC2)s1 ZINC000257302590 377796773 /nfs/dbraw/zinc/79/67/73/377796773.db2.gz SDMNXMCCDQESJN-UHFFFAOYSA-N 1 2 288.420 3.108 40 0 CGABLO O=C(Nc1ccccc1)[C@H](c1ccccc1)n1cc[nH+]c1 ZINC000408734120 380022591 /nfs/dbraw/zinc/02/25/91/380022591.db2.gz KLTHZAAFJHWCQE-INIZCTEOSA-N 1 2 277.327 3.111 40 0 CGABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1NC(C)C ZINC000072221961 256705901 /nfs/dbraw/zinc/70/59/01/256705901.db2.gz NWRUAVHJPRZZLM-UHFFFAOYSA-N 1 2 279.384 3.235 40 0 CGABLO Cc1ccc(OCc2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000004937176 391923496 /nfs/dbraw/zinc/92/34/96/391923496.db2.gz IRKDYJSTDCNZOO-UHFFFAOYSA-N 1 2 253.305 3.033 40 0 CGABLO CCOC(=O)c1c[nH+]c2c(CC)cccc2c1NC ZINC000050843150 392067051 /nfs/dbraw/zinc/06/70/51/392067051.db2.gz MLJHVNBZGDFRRJ-UHFFFAOYSA-N 1 2 258.321 3.016 40 0 CGABLO CNc1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072212543 392196962 /nfs/dbraw/zinc/19/69/62/392196962.db2.gz ONQLJECYWZSJLS-HNNXBMFYSA-N 1 2 281.359 3.101 40 0 CGABLO CCCNc1[nH+]cc(CNC(=O)OC(C)(C)C)cc1C ZINC000072222168 392201955 /nfs/dbraw/zinc/20/19/55/392201955.db2.gz OBBMQPNWXXOUNZ-UHFFFAOYSA-N 1 2 279.384 3.237 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1ncccc1C ZINC000257267110 393135716 /nfs/dbraw/zinc/13/57/16/393135716.db2.gz MGACSVYWLVNFTB-HNNXBMFYSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1ncccc1C ZINC000257267110 393135720 /nfs/dbraw/zinc/13/57/20/393135720.db2.gz MGACSVYWLVNFTB-HNNXBMFYSA-N 1 2 270.380 3.149 40 0 CGABLO CC(C)N(c1ccc([C@H]2CCCCN2C=O)c[nH+]1)C(C)C ZINC000072212989 279466226 /nfs/dbraw/zinc/46/62/26/279466226.db2.gz NPIGHPNQCOYJQT-MRXNPFEDSA-N 1 2 289.423 3.388 40 0 CGABLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000072357065 294103557 /nfs/dbraw/zinc/10/35/57/294103557.db2.gz PVNXSNCQXCZPBT-CQSZACIVSA-N 1 2 261.756 3.400 40 0 CGABLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000072357065 294103563 /nfs/dbraw/zinc/10/35/63/294103563.db2.gz PVNXSNCQXCZPBT-CQSZACIVSA-N 1 2 261.756 3.400 40 0 CGABLO CCC1=[NH+]c2sc3c(c2[C@H]2NN[C@H](CC)N12)CCCC3 ZINC000096305925 282536057 /nfs/dbraw/zinc/53/60/57/282536057.db2.gz NWHIEONSEBOYLJ-JSGCOSHPSA-N 1 2 290.436 3.225 40 0 CGABLO CC[C@H](C)Nc1nc(Nc2ccc(O)cc2)cc(C2CC2)[nH+]1 ZINC000328977107 202136589 /nfs/dbraw/zinc/13/65/89/202136589.db2.gz FRFRDJJCNPNDEB-NSHDSACASA-N 1 2 298.390 3.436 40 0 CGABLO OCC[C@@H](Nc1cc[nH+]c2ccncc12)C1CCCCC1 ZINC000085687133 541937926 /nfs/dbraw/zinc/93/79/26/541937926.db2.gz UFSFKIMJLREETG-OAHLLOKOSA-N 1 2 285.391 3.373 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)[nH+]1 ZINC000257220497 190014694 /nfs/dbraw/zinc/01/46/94/190014694.db2.gz DLBBZONPWNJDFP-OAHLLOKOSA-N 1 2 289.423 3.395 40 0 CGABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C(C)=O ZINC000072213455 392198623 /nfs/dbraw/zinc/19/86/23/392198623.db2.gz HGBHNKQOQWNQOP-IUODEOHRSA-N 1 2 275.396 3.366 40 0 CGABLO CC(C)[N@@H+]1CCC[C@H]1c1nccnc1Nc1nccs1 ZINC000072386490 176391712 /nfs/dbraw/zinc/39/17/12/176391712.db2.gz FHXCQUYDAJCWJS-NSHDSACASA-N 1 2 289.408 3.222 40 0 CGABLO CC(C)[N@H+]1CCC[C@H]1c1nccnc1Nc1nccs1 ZINC000072386490 176391714 /nfs/dbraw/zinc/39/17/14/176391714.db2.gz FHXCQUYDAJCWJS-NSHDSACASA-N 1 2 289.408 3.222 40 0 CGABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N ZINC000072212445 278388208 /nfs/dbraw/zinc/38/82/08/278388208.db2.gz QDMOTERXKJMGEX-LBPRGKRZSA-N 1 2 277.368 3.126 40 0 CGABLO Cc1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccc(C)cc3)n2)cc1 ZINC000095534169 185006970 /nfs/dbraw/zinc/00/69/70/185006970.db2.gz UIURUPKANJLEOX-HNNXBMFYSA-N 1 2 278.359 3.137 40 0 CGABLO C[C@@H]1C=C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[N@@H+]1C ZINC000001614953 368423327 /nfs/dbraw/zinc/42/33/27/368423327.db2.gz BUNBXUGCVXCJTF-PRHODGIISA-N 1 2 285.174 3.191 40 0 CGABLO C[C@@H]1C=C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[N@H+]1C ZINC000001614953 368423330 /nfs/dbraw/zinc/42/33/30/368423330.db2.gz BUNBXUGCVXCJTF-PRHODGIISA-N 1 2 285.174 3.191 40 0 CGABLO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1nc2ccccc2[nH]1 ZINC000012146848 368605164 /nfs/dbraw/zinc/60/51/64/368605164.db2.gz ULBWMHURGNFQKV-UHFFFAOYSA-N 1 2 297.406 3.216 40 0 CGABLO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1nc2ccccc2[nH]1 ZINC000012146848 368605166 /nfs/dbraw/zinc/60/51/66/368605166.db2.gz ULBWMHURGNFQKV-UHFFFAOYSA-N 1 2 297.406 3.216 40 0 CGABLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000030864846 368908281 /nfs/dbraw/zinc/90/82/81/368908281.db2.gz VDBRAIBOLPTZIT-UHFFFAOYSA-N 1 2 283.375 3.069 40 0 CGABLO CCCn1cc[nH+]c1CN1CCCC[C@H]1c1n[nH]cc1C ZINC000257319181 284132406 /nfs/dbraw/zinc/13/24/06/284132406.db2.gz VRDKSSOZDYRPHK-AWEZNQCLSA-N 1 2 287.411 3.052 40 0 CGABLO CSc1nc(N)cc(Nc2ccc(C)c(C)c2)[nH+]1 ZINC000049467354 369402654 /nfs/dbraw/zinc/40/26/54/369402654.db2.gz YFVRHKNUSIXVAY-UHFFFAOYSA-N 1 2 260.366 3.141 40 0 CGABLO CSc1nc(Nc2ccc(C)c(C)c2)cc(N)[nH+]1 ZINC000049467354 369402658 /nfs/dbraw/zinc/40/26/58/369402658.db2.gz YFVRHKNUSIXVAY-UHFFFAOYSA-N 1 2 260.366 3.141 40 0 CGABLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C)[C@@H]3c1cccnc1 ZINC000072373722 369816919 /nfs/dbraw/zinc/81/69/19/369816919.db2.gz IEEWUMBISICBLS-GOSISDBHSA-N 1 2 293.370 3.149 40 0 CGABLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C)[C@@H]3c1cccnc1 ZINC000072373722 369816926 /nfs/dbraw/zinc/81/69/26/369816926.db2.gz IEEWUMBISICBLS-GOSISDBHSA-N 1 2 293.370 3.149 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccccc3C)C2)[nH+]1 ZINC000257207370 190011292 /nfs/dbraw/zinc/01/12/92/190011292.db2.gz BHLZVEJHAJWZJW-CQSZACIVSA-N 1 2 283.375 3.046 40 0 CGABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1NCC(C)C ZINC000072213289 392198697 /nfs/dbraw/zinc/19/86/97/392198697.db2.gz XYRBYAZSFOXASD-OAHLLOKOSA-N 1 2 275.396 3.223 40 0 CGABLO CCCCNc1[nH+]cccc1[C@@H]1CCCCN1C(C)=O ZINC000072213632 392199204 /nfs/dbraw/zinc/19/92/04/392199204.db2.gz QTLCONHCHDVKMR-HNNXBMFYSA-N 1 2 275.396 3.367 40 0 CGABLO CC[C@@H](O)c1c[nH+]c(N(C)Cc2ccccc2)c(C)c1 ZINC000072222359 392201922 /nfs/dbraw/zinc/20/19/22/392201922.db2.gz XNFGEEPXPVSZLN-MRXNPFEDSA-N 1 2 270.376 3.470 40 0 CGABLO Cc1cc(N2CCCc3ccccc32)[nH+]cc1CCO ZINC000072223931 392203301 /nfs/dbraw/zinc/20/33/01/392203301.db2.gz PWZQJGFQLXQFGF-UHFFFAOYSA-N 1 2 268.360 3.009 40 0 CGABLO CC[C@H](O)c1ccc(N2CCc3ccccc3C2)[nH+]c1C ZINC000072224933 392204327 /nfs/dbraw/zinc/20/43/27/392204327.db2.gz GVPOHSWSUVGPQN-KRWDZBQOSA-N 1 2 282.387 3.396 40 0 CGABLO CC[C@H](O)c1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000072225766 392204772 /nfs/dbraw/zinc/20/47/72/392204772.db2.gz IWMJLAIABNMRNP-INIZCTEOSA-N 1 2 268.360 3.088 40 0 CGABLO CC(C)Nc1nc(Nc2ccccc2)nc(NC(C)C)[nH+]1 ZINC000005255715 170080558 /nfs/dbraw/zinc/08/05/58/170080558.db2.gz ZQUUXNQDXWOHJS-UHFFFAOYSA-N 1 2 286.383 3.256 40 0 CGABLO CC(C)(C)OC(=O)N1CCC[C@@H](COc2cc[nH+]cc2)C1 ZINC000039954092 174178028 /nfs/dbraw/zinc/17/80/28/174178028.db2.gz IREKEOCUZZBKGO-CYBMUJFWSA-N 1 2 292.379 3.108 40 0 CGABLO Cc1cc(N2CCC[C@@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938271 544110149 /nfs/dbraw/zinc/11/01/49/544110149.db2.gz ODISAUSXAUSRJW-LLVKDONJSA-N 1 2 256.349 3.485 40 0 CGABLO Fc1c(Cl)c(Br)ccc1-n1cc[nH+]c1 ZINC000307336782 260137738 /nfs/dbraw/zinc/13/77/38/260137738.db2.gz OGINQRVTRLCMHU-UHFFFAOYSA-N 1 2 275.508 3.427 40 0 CGABLO CCOC(=O)c1c[nH+]c2ccc(C(F)(F)F)cc2c1N ZINC000040175514 276302239 /nfs/dbraw/zinc/30/22/39/276302239.db2.gz FVODUDZBXBKUMW-UHFFFAOYSA-N 1 2 284.237 3.013 40 0 CGABLO Cc1cc(NC(=O)c2ccc(Br)s2)cc[nH+]1 ZINC000072709950 327391310 /nfs/dbraw/zinc/39/13/10/327391310.db2.gz VVJUYTVZYVHIBB-UHFFFAOYSA-N 1 2 297.177 3.466 40 0 CGABLO CC(C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc[nH+]1 ZINC000328970398 136377382 /nfs/dbraw/zinc/37/73/82/136377382.db2.gz DLAGACJVBGLZSN-CYBMUJFWSA-N 1 2 282.391 3.248 40 0 CGABLO CC(C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]cn1 ZINC000328970398 136377383 /nfs/dbraw/zinc/37/73/83/136377383.db2.gz DLAGACJVBGLZSN-CYBMUJFWSA-N 1 2 282.391 3.248 40 0 CGABLO CCN(CC)C(=S)S[NH2+]CCc1ccccc1 ZINC000005715072 368564728 /nfs/dbraw/zinc/56/47/28/368564728.db2.gz MBWRENANAUJDEQ-UHFFFAOYSA-N 1 2 268.451 3.094 40 0 CGABLO Cn1cc(C[N@H+](Cc2ccco2)Cc2cccc(F)c2)cn1 ZINC000013992759 368673168 /nfs/dbraw/zinc/67/31/68/368673168.db2.gz VUIQKXGYCMDAJJ-UHFFFAOYSA-N 1 2 299.349 3.355 40 0 CGABLO Cn1cc(C[N@@H+](Cc2ccco2)Cc2cccc(F)c2)cn1 ZINC000013992759 368673171 /nfs/dbraw/zinc/67/31/71/368673171.db2.gz VUIQKXGYCMDAJJ-UHFFFAOYSA-N 1 2 299.349 3.355 40 0 CGABLO O=C(C1CCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023379217 368819808 /nfs/dbraw/zinc/81/98/08/368819808.db2.gz DMPFUGFUEBRLAH-RMKNXTFCSA-N 1 2 298.430 3.034 40 0 CGABLO COC(=O)[C@@](C)(c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000085395489 284225533 /nfs/dbraw/zinc/22/55/33/284225533.db2.gz JQUMNNGATPHJLE-LJQANCHMSA-N 1 2 295.382 3.133 40 0 CGABLO COC(=O)[C@@](C)(c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000085395489 284225535 /nfs/dbraw/zinc/22/55/35/284225535.db2.gz JQUMNNGATPHJLE-LJQANCHMSA-N 1 2 295.382 3.133 40 0 CGABLO CC(C)Cn1ccc(C[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000256051403 190003721 /nfs/dbraw/zinc/00/37/21/190003721.db2.gz JAVNNTNZMZRWAT-UHFFFAOYSA-N 1 2 279.334 3.107 40 0 CGABLO Cc1cccc(C[N@@H+]2CCC[C@]2(C)c2nc(C)cc(C)n2)n1 ZINC000257312387 190031610 /nfs/dbraw/zinc/03/16/10/190031610.db2.gz UNSMBHTXQLWMPU-GOSISDBHSA-N 1 2 296.418 3.308 40 0 CGABLO Cc1cccc(C[N@H+]2CCC[C@]2(C)c2nc(C)cc(C)n2)n1 ZINC000257312387 190031611 /nfs/dbraw/zinc/03/16/11/190031611.db2.gz UNSMBHTXQLWMPU-GOSISDBHSA-N 1 2 296.418 3.308 40 0 CGABLO Cc1cn2c(cccc2[C@H]2CCCN(C(=O)C(C)C)C2)[nH+]1 ZINC000257292089 190028085 /nfs/dbraw/zinc/02/80/85/190028085.db2.gz QJXUUWCZRQYYKW-AWEZNQCLSA-N 1 2 285.391 3.005 40 0 CGABLO CCC(=O)Nc1cc([N@@H+]2CCCC[C@H]2C)c(C)cc1N ZINC000216864686 376168121 /nfs/dbraw/zinc/16/81/21/376168121.db2.gz YYPPJFXNHJPLGZ-GFCCVEGCSA-N 1 2 275.396 3.305 40 0 CGABLO CCC(=O)Nc1cc([N@H+]2CCCC[C@H]2C)c(C)cc1N ZINC000216864686 376168127 /nfs/dbraw/zinc/16/81/27/376168127.db2.gz YYPPJFXNHJPLGZ-GFCCVEGCSA-N 1 2 275.396 3.305 40 0 CGABLO O=CN1CCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214005 392198759 /nfs/dbraw/zinc/19/87/59/392198759.db2.gz WWPKONJJXIWGDI-HNNXBMFYSA-N 1 2 273.380 3.120 40 0 CGABLO CCN(CC)c1ccc(C(=O)c2ccccc2)c(C)[nH+]1 ZINC000072224301 392203127 /nfs/dbraw/zinc/20/31/27/392203127.db2.gz XYZZPOOHVYNFLU-UHFFFAOYSA-N 1 2 268.360 3.467 40 0 CGABLO CCOC(=O)c1c[nH+]c2cc(C(F)(F)F)ccc2c1NC ZINC000040164059 174196825 /nfs/dbraw/zinc/19/68/25/174196825.db2.gz NZBKYAVUQIRMOW-UHFFFAOYSA-N 1 2 298.264 3.472 40 0 CGABLO CN(C)c1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072212663 289439889 /nfs/dbraw/zinc/43/98/89/289439889.db2.gz NGBSGEDKYQDNQO-INIZCTEOSA-N 1 2 295.386 3.125 40 0 CGABLO CN(C)c1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212654 289440066 /nfs/dbraw/zinc/44/00/66/289440066.db2.gz LBBZMXRVXZKGFX-ZDUSSCGKSA-N 1 2 291.395 3.220 40 0 CGABLO CC(C)CC(=O)Nc1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000226253665 136386650 /nfs/dbraw/zinc/38/66/50/136386650.db2.gz UPTHANGFGJIPGM-UHFFFAOYSA-N 1 2 289.423 3.490 40 0 CGABLO C[C@H](c1ccco1)[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000013570154 368657659 /nfs/dbraw/zinc/65/76/59/368657659.db2.gz RCLSSFAXDHKJMM-LLVKDONJSA-N 1 2 255.321 3.349 40 0 CGABLO C[C@H](c1ccco1)[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000013570154 368657668 /nfs/dbraw/zinc/65/76/68/368657668.db2.gz RCLSSFAXDHKJMM-LLVKDONJSA-N 1 2 255.321 3.349 40 0 CGABLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C)cc2)c1C ZINC000051234738 369448379 /nfs/dbraw/zinc/44/83/79/369448379.db2.gz DQEJOBLNWJQYEL-UHFFFAOYSA-N 1 2 299.374 3.337 40 0 CGABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)ccn1 ZINC000257272171 190024212 /nfs/dbraw/zinc/02/42/12/190024212.db2.gz NBHRSQKXYAJTDJ-HNNXBMFYSA-N 1 2 299.422 3.238 40 0 CGABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)ccn1 ZINC000257272171 190024213 /nfs/dbraw/zinc/02/42/13/190024213.db2.gz NBHRSQKXYAJTDJ-HNNXBMFYSA-N 1 2 299.422 3.238 40 0 CGABLO Cc1cc(N2CCc3ccccc3C2)[nH+]cc1[C@@H](C)O ZINC000072223889 392203347 /nfs/dbraw/zinc/20/33/47/392203347.db2.gz SBZZKQWAQKGYSR-CYBMUJFWSA-N 1 2 268.360 3.006 40 0 CGABLO O[C@H](c1ccccc1)c1ccc(N2CCCCC2)[nH+]c1 ZINC000072225452 392204595 /nfs/dbraw/zinc/20/45/95/392204595.db2.gz WFIPBDDKZJEGNX-QGZVFWFLSA-N 1 2 268.360 3.154 40 0 CGABLO Cc1cc2[nH+]cn(CC(=O)Nc3ccc(F)cc3)c2cc1C ZINC000005023353 170057317 /nfs/dbraw/zinc/05/73/17/170057317.db2.gz JDZTZARSGJHASR-UHFFFAOYSA-N 1 2 297.333 3.431 40 0 CGABLO COc1ccc(C2=CSC3=[NH+]CCCCN23)cc1 ZINC000006170403 170180238 /nfs/dbraw/zinc/18/02/38/170180238.db2.gz ASGLAQLBZSIYAY-UHFFFAOYSA-N 1 2 260.362 3.192 40 0 CGABLO CC(C)(C)OC(=O)N1CCC(COc2cc[nH+]cc2)CC1 ZINC000039954037 174177689 /nfs/dbraw/zinc/17/76/89/174177689.db2.gz LTVUBQOHBGKUDB-UHFFFAOYSA-N 1 2 292.379 3.108 40 0 CGABLO CCc1cn(-c2ccc(Br)cc2OC)c[nH+]1 ZINC000072190647 176336232 /nfs/dbraw/zinc/33/62/32/176336232.db2.gz GCIZGZRKBIZRHT-UHFFFAOYSA-N 1 2 281.153 3.206 40 0 CGABLO CCOC(=O)c1c(C)c2n(c1C)C[N@@H+](C1CCCCC1)C2 ZINC000031924781 276296599 /nfs/dbraw/zinc/29/65/99/276296599.db2.gz PTVZNXDZOKQBHQ-UHFFFAOYSA-N 1 2 290.407 3.387 40 0 CGABLO CCOC(=O)c1c(C)c2n(c1C)C[N@H+](C1CCCCC1)C2 ZINC000031924781 276296600 /nfs/dbraw/zinc/29/66/00/276296600.db2.gz PTVZNXDZOKQBHQ-UHFFFAOYSA-N 1 2 290.407 3.387 40 0 CGABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N)[nH+]c1 ZINC000072212389 278388360 /nfs/dbraw/zinc/38/83/60/278388360.db2.gz NHEWRHDAVZNDGQ-LBPRGKRZSA-N 1 2 277.368 3.126 40 0 CGABLO CSc1nc(Nc2ccc(C)c(Cl)c2)cc(N)[nH+]1 ZINC000049467392 369402723 /nfs/dbraw/zinc/40/27/23/369402723.db2.gz SOVSICYZJUXKDV-UHFFFAOYSA-N 1 2 280.784 3.486 40 0 CGABLO CSc1nc(N)cc(Nc2ccc(C)c(Cl)c2)[nH+]1 ZINC000049467392 369402725 /nfs/dbraw/zinc/40/27/25/369402725.db2.gz SOVSICYZJUXKDV-UHFFFAOYSA-N 1 2 280.784 3.486 40 0 CGABLO C[NH+]1C=CC(=C/C=C2\C=NN=C2c2cccs2)C=C1 ZINC000334139387 374647463 /nfs/dbraw/zinc/64/74/63/374647463.db2.gz PKANEORCYZPBMX-WLRTZDKTSA-N 1 2 267.357 3.362 40 0 CGABLO CC(C)(C)C(=O)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257206182 190011242 /nfs/dbraw/zinc/01/12/42/190011242.db2.gz BCFIFFIKHZISOU-ZDUSSCGKSA-N 1 2 271.364 3.044 40 0 CGABLO CNc1cc([C@H]2CCCN2C(=O)CCC(C)C)cc[nH+]1 ZINC000257238365 190017443 /nfs/dbraw/zinc/01/74/43/190017443.db2.gz HKQOXYWSONAZSD-CQSZACIVSA-N 1 2 275.396 3.223 40 0 CGABLO CCOC(=O)COc1cc(C)[nH+]c2c(CC)cccc12 ZINC000064874810 256720927 /nfs/dbraw/zinc/72/09/27/256720927.db2.gz HIOZGLGCHICBON-UHFFFAOYSA-N 1 2 273.332 3.048 40 0 CGABLO Nc1ccc2[nH]c(-c3ccc(N)c(Cl)c3)[nH+]c2c1 ZINC000005687337 170129067 /nfs/dbraw/zinc/12/90/67/170129067.db2.gz OVFFDASNESPTJA-UHFFFAOYSA-N 1 2 258.712 3.048 40 0 CGABLO Cc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1 ZINC000095534027 185007501 /nfs/dbraw/zinc/00/75/01/185007501.db2.gz QKPXKNIWLGWKPT-AWEZNQCLSA-N 1 2 298.777 3.482 40 0 CGABLO Cc1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095534027 185007502 /nfs/dbraw/zinc/00/75/02/185007502.db2.gz QKPXKNIWLGWKPT-AWEZNQCLSA-N 1 2 298.777 3.482 40 0 CGABLO C(=C(c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000001699486 368433144 /nfs/dbraw/zinc/43/31/44/368433144.db2.gz KFCXYAAZYMQSOO-UHFFFAOYSA-N 1 2 265.356 3.408 40 0 CGABLO CC(C)(C)C[N@@H+]1CCOC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000067898627 369735378 /nfs/dbraw/zinc/73/53/78/369735378.db2.gz WEBJYCYEUCOWTA-INIZCTEOSA-N 1 2 299.418 3.496 40 0 biogenic,in-vitro CGABLO CC(C)(C)C[N@H+]1CCOC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000067898627 369735382 /nfs/dbraw/zinc/73/53/82/369735382.db2.gz WEBJYCYEUCOWTA-INIZCTEOSA-N 1 2 299.418 3.496 40 0 biogenic,in-vitro CGABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216136 369815184 /nfs/dbraw/zinc/81/51/84/369815184.db2.gz UOFLNLLSQFUDEB-MRXNPFEDSA-N 1 2 287.407 3.145 40 0 CGABLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c(F)c1 ZINC000257203504 190011434 /nfs/dbraw/zinc/01/14/34/190011434.db2.gz AQJDQBYJYBNUJJ-OAHLLOKOSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c(F)c1 ZINC000257203504 190011435 /nfs/dbraw/zinc/01/14/35/190011435.db2.gz AQJDQBYJYBNUJJ-OAHLLOKOSA-N 1 2 275.302 3.092 40 0 CGABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257249422 190019713 /nfs/dbraw/zinc/01/97/13/190019713.db2.gz JIGYKWQOWZNFJB-MRXNPFEDSA-N 1 2 295.386 3.331 40 0 CGABLO Cc1c[nH]c([C@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257249422 190019714 /nfs/dbraw/zinc/01/97/14/190019714.db2.gz JIGYKWQOWZNFJB-MRXNPFEDSA-N 1 2 295.386 3.331 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)[nH+]1 ZINC000257266233 190023451 /nfs/dbraw/zinc/02/34/51/190023451.db2.gz MCBUARHKEJVEMD-MRXNPFEDSA-N 1 2 297.402 3.057 40 0 CGABLO Fc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2cnccn2)c1 ZINC000257285100 190026751 /nfs/dbraw/zinc/02/67/51/190026751.db2.gz PFQMGDWMBVADFA-HNNXBMFYSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1cc(F)cc(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC000257285100 190026752 /nfs/dbraw/zinc/02/67/52/190026752.db2.gz PFQMGDWMBVADFA-HNNXBMFYSA-N 1 2 275.302 3.092 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2ccccc2)[nH+]1 ZINC000257299636 190029204 /nfs/dbraw/zinc/02/92/04/190029204.db2.gz RQWIPUXLAZNHDZ-HNNXBMFYSA-N 1 2 283.375 3.014 40 0 CGABLO c1csc(CN2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)n1 ZINC000257317157 190032585 /nfs/dbraw/zinc/03/25/85/190032585.db2.gz VIPFJSAFDAYVOX-CQSZACIVSA-N 1 2 296.399 3.097 40 0 CGABLO Nc1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212413 392196847 /nfs/dbraw/zinc/19/68/47/392196847.db2.gz XJLJULIMJPXTLQ-OAHLLOKOSA-N 1 2 297.358 3.138 40 0 CGABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1NC1CC1 ZINC000072222771 392201370 /nfs/dbraw/zinc/20/13/70/392201370.db2.gz JWTICNLOBJZUAO-HNNXBMFYSA-N 1 2 254.333 3.046 40 0 CGABLO CCN(CC)c1[nH+]cc(CNC(=O)OC(C)(C)C)cc1C ZINC000072222219 392202053 /nfs/dbraw/zinc/20/20/53/392202053.db2.gz PHYPIIFPZJLKBA-UHFFFAOYSA-N 1 2 293.411 3.261 40 0 CGABLO Brc1ccc(COCCCc2c[nH]c[nH+]2)cc1 ZINC000008699907 170346370 /nfs/dbraw/zinc/34/63/70/170346370.db2.gz BVLPCBPJCFRUBA-UHFFFAOYSA-N 1 2 295.180 3.322 40 0 CGABLO Brc1ccc(COCCCc2c[nH+]c[nH]2)cc1 ZINC000008699907 170346371 /nfs/dbraw/zinc/34/63/71/170346371.db2.gz BVLPCBPJCFRUBA-UHFFFAOYSA-N 1 2 295.180 3.322 40 0 CGABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216696 278030919 /nfs/dbraw/zinc/03/09/19/278030919.db2.gz GXDMZPJZYUMETC-INIZCTEOSA-N 1 2 287.407 3.145 40 0 CGABLO Cc1cccc(-c2n[nH]c([C@@H]([NH3+])Cc3ccccc3)n2)c1 ZINC000095534913 185008491 /nfs/dbraw/zinc/00/84/91/185008491.db2.gz CDVCXOPXYSKSHV-HNNXBMFYSA-N 1 2 278.359 3.023 40 0 CGABLO COC(=O)[C@](C)(c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000085395486 179049208 /nfs/dbraw/zinc/04/92/08/179049208.db2.gz OQRVDIPXHPAKJI-SFHVURJKSA-N 1 2 283.371 3.207 40 0 CGABLO COC(=O)[C@](C)(c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000085395486 179049210 /nfs/dbraw/zinc/04/92/10/179049210.db2.gz OQRVDIPXHPAKJI-SFHVURJKSA-N 1 2 283.371 3.207 40 0 CGABLO CC(C)(C)Nc1nc(Nc2cccc(O)c2)cc(C2CC2)[nH+]1 ZINC000329023943 202156090 /nfs/dbraw/zinc/15/60/90/202156090.db2.gz OWODMXASTNQBIZ-UHFFFAOYSA-N 1 2 298.390 3.436 40 0 CGABLO CCCSc1[nH][nH+]c(SCCC)c2ncnc1-2 ZINC000001692110 368432930 /nfs/dbraw/zinc/43/29/30/368432930.db2.gz DTNIMGILPRAHCF-UHFFFAOYSA-N 1 2 268.411 3.357 40 0 CGABLO CC(C)Cn1ccc(C[NH2+]Cc2cc(F)ccc2F)n1 ZINC000256051832 190003841 /nfs/dbraw/zinc/00/38/41/190003841.db2.gz KRFMMWUTONWFRK-UHFFFAOYSA-N 1 2 279.334 3.107 40 0 CGABLO c1cn2c(n1)C[N@@H+](C1CCCC1)[C@H](c1ccccc1)C2 ZINC000257255795 190021690 /nfs/dbraw/zinc/02/16/90/190021690.db2.gz KIWRCVCTTKZSPX-INIZCTEOSA-N 1 2 267.376 3.383 40 0 CGABLO c1cn2c(n1)C[N@H+](C1CCCC1)[C@H](c1ccccc1)C2 ZINC000257255795 190021691 /nfs/dbraw/zinc/02/16/91/190021691.db2.gz KIWRCVCTTKZSPX-INIZCTEOSA-N 1 2 267.376 3.383 40 0 CGABLO S=C(NCCCc1ccccc1)Nc1cc[nH+]cc1 ZINC000223962368 376267946 /nfs/dbraw/zinc/26/79/46/376267946.db2.gz JCTIYBBDHXDJBC-UHFFFAOYSA-N 1 2 271.389 3.001 40 0 CGABLO Cc1c[nH]nc1[C@H]1CCCCN1Cc1[nH+]ccn1C(C)C ZINC000257211224 377796143 /nfs/dbraw/zinc/79/61/43/377796143.db2.gz BXZPVHUYFMHKBX-CQSZACIVSA-N 1 2 287.411 3.223 40 0 CGABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213933 392198955 /nfs/dbraw/zinc/19/89/55/392198955.db2.gz TZPWPGIYNVLSRY-HNNXBMFYSA-N 1 2 273.380 3.120 40 0 CGABLO CN(C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212604 392199192 /nfs/dbraw/zinc/19/91/92/392199192.db2.gz BFVGFOIHTDOSTO-MRXNPFEDSA-N 1 2 295.386 3.125 40 0 CGABLO Cc1[nH+]c(N2CCCCC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224549 392204340 /nfs/dbraw/zinc/20/43/40/392204340.db2.gz CKQZLAPRNAMYCG-SFHVURJKSA-N 1 2 282.387 3.462 40 0 CGABLO Clc1ccc2c(c1)N[C@H](c1ccco1)N1CC[NH+]=C21 ZINC000072342080 392206069 /nfs/dbraw/zinc/20/60/69/392206069.db2.gz BWNDTPAPLVXQTO-AWEZNQCLSA-N 1 2 273.723 3.120 40 0 CGABLO CCc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000008086012 170318305 /nfs/dbraw/zinc/31/83/05/170318305.db2.gz UTRWPTFOUYEDME-UHFFFAOYSA-N 1 2 280.371 3.203 40 0 CGABLO [NH3+][C@@H](c1nnc(-c2ccccc2)[nH]1)c1ccc(Cl)cc1 ZINC000095534034 185007221 /nfs/dbraw/zinc/00/72/21/185007221.db2.gz MZGFBIUAHKLPLY-CYBMUJFWSA-N 1 2 284.750 3.173 40 0 CGABLO CCOc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000006963049 344866320 /nfs/dbraw/zinc/86/63/20/344866320.db2.gz CCDWFAIPEQZFAG-UHFFFAOYSA-N 1 2 296.370 3.040 40 0 CGABLO CCNc1nc(Nc2c(C)cccc2CC)cc(C2CC2)[nH+]1 ZINC000329025360 202156701 /nfs/dbraw/zinc/15/67/01/202156701.db2.gz PGJFJLWCIDCTNP-UHFFFAOYSA-N 1 2 296.418 3.244 40 0 CGABLO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)cn1 ZINC000019524922 368757151 /nfs/dbraw/zinc/75/71/51/368757151.db2.gz HWODDJIMJLEFJS-MRXNPFEDSA-N 1 2 288.395 3.317 40 0 CGABLO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)cn1 ZINC000019524922 368757153 /nfs/dbraw/zinc/75/71/53/368757153.db2.gz HWODDJIMJLEFJS-MRXNPFEDSA-N 1 2 288.395 3.317 40 0 CGABLO Clc1nc(C[NH+]2CCCCC2)nc2ccccc12 ZINC000026443827 368859876 /nfs/dbraw/zinc/85/98/76/368859876.db2.gz KDPKBBHHNHZDMJ-UHFFFAOYSA-N 1 2 261.756 3.269 40 0 CGABLO c1ccn(Cc2noc3c2C[N@H+](Cc2ccsc2)CC3)c1 ZINC000096259757 370209178 /nfs/dbraw/zinc/20/91/78/370209178.db2.gz QMGZFLJXKBZETO-UHFFFAOYSA-N 1 2 299.399 3.144 40 0 CGABLO c1ccn(Cc2noc3c2C[N@@H+](Cc2ccsc2)CC3)c1 ZINC000096259757 370209184 /nfs/dbraw/zinc/20/91/84/370209184.db2.gz QMGZFLJXKBZETO-UHFFFAOYSA-N 1 2 299.399 3.144 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)[nH+]1 ZINC000257227070 190015309 /nfs/dbraw/zinc/01/53/09/190015309.db2.gz FNMRHTKGGNOUTH-INIZCTEOSA-N 1 2 295.386 3.184 40 0 CGABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2csc(C)n2)ccn1 ZINC000257237940 190018166 /nfs/dbraw/zinc/01/81/66/190018166.db2.gz HIXHXXVTCSWVBM-CQSZACIVSA-N 1 2 288.420 3.225 40 0 CGABLO CNc1cc([C@H]2CCC[N@H+]2Cc2csc(C)n2)ccn1 ZINC000257237940 190018167 /nfs/dbraw/zinc/01/81/67/190018167.db2.gz HIXHXXVTCSWVBM-CQSZACIVSA-N 1 2 288.420 3.225 40 0 CGABLO Cc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3C)n[nH]2)cc1 ZINC000095534143 392244110 /nfs/dbraw/zinc/24/41/10/392244110.db2.gz CQSJHQZEVHMITD-OAHLLOKOSA-N 1 2 278.359 3.137 40 0 CGABLO C[C@@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[N@@H+]1C ZINC000005160677 170072209 /nfs/dbraw/zinc/07/22/09/170072209.db2.gz BUNBXUGCVXCJTF-PELKAZGASA-N 1 2 285.174 3.191 40 0 CGABLO C[C@@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[N@H+]1C ZINC000005160677 170072210 /nfs/dbraw/zinc/07/22/10/170072210.db2.gz BUNBXUGCVXCJTF-PELKAZGASA-N 1 2 285.174 3.191 40 0 CGABLO C[C@H]1C=C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[N@@H+]1C ZINC000005160674 170072215 /nfs/dbraw/zinc/07/22/15/170072215.db2.gz BUNBXUGCVXCJTF-QPUJVOFHSA-N 1 2 285.174 3.191 40 0 CGABLO C[C@H]1C=C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[N@H+]1C ZINC000005160674 170072216 /nfs/dbraw/zinc/07/22/16/170072216.db2.gz BUNBXUGCVXCJTF-QPUJVOFHSA-N 1 2 285.174 3.191 40 0 CGABLO Nc1ccc([NH2+]C2CCCC2)c(Br)c1 ZINC000043596553 175076890 /nfs/dbraw/zinc/07/68/90/175076890.db2.gz HIXJBYOHURCYNU-UHFFFAOYSA-N 1 2 255.159 3.386 40 0 CGABLO Cc1cc(N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)nc[nH+]1 ZINC000072355951 176375818 /nfs/dbraw/zinc/37/58/18/176375818.db2.gz DLGVBJUCVVMAMO-CQSZACIVSA-N 1 2 293.374 3.045 40 0 CGABLO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1[nH]ncc1C ZINC000072363816 176378551 /nfs/dbraw/zinc/37/85/51/176378551.db2.gz MVVADVOSMBMZKE-CQSZACIVSA-N 1 2 271.364 3.064 40 0 CGABLO COc1ccccc1C[N@H+]1CCC[C@@H]1c1[nH]ncc1C ZINC000072363816 176378552 /nfs/dbraw/zinc/37/85/52/176378552.db2.gz MVVADVOSMBMZKE-CQSZACIVSA-N 1 2 271.364 3.064 40 0 CGABLO c1cc([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000072369522 176384281 /nfs/dbraw/zinc/38/42/81/176384281.db2.gz UDFLNTZPTVBTJH-MRXNPFEDSA-N 1 2 295.386 3.065 40 0 CGABLO c1cc([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000072369522 176384282 /nfs/dbraw/zinc/38/42/82/176384282.db2.gz UDFLNTZPTVBTJH-MRXNPFEDSA-N 1 2 295.386 3.065 40 0 CGABLO Cc1cc(N2CCC[C@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938272 544109936 /nfs/dbraw/zinc/10/99/36/544109936.db2.gz ODISAUSXAUSRJW-NSHDSACASA-N 1 2 256.349 3.485 40 0 CGABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccco1 ZINC000226254007 278334151 /nfs/dbraw/zinc/33/41/51/278334151.db2.gz ZGJNYCUXXQOZTM-LBPRGKRZSA-N 1 2 299.374 3.493 40 0 CGABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccco1 ZINC000226254007 278334152 /nfs/dbraw/zinc/33/41/52/278334152.db2.gz ZGJNYCUXXQOZTM-LBPRGKRZSA-N 1 2 299.374 3.493 40 0 CGABLO Cc1csc2ncnc(N[C@@H]3C[C@@H](C)n4cc[nH+]c43)c12 ZINC000334025449 279050990 /nfs/dbraw/zinc/05/09/90/279050990.db2.gz GTKQFTNEUBBGBI-NXEZZACHSA-N 1 2 285.376 3.314 40 0 CGABLO COc1cccc2c1cc[nH+]c2N1CCO[C@H](C2CCC2)C1 ZINC000413483955 533905269 /nfs/dbraw/zinc/90/52/69/533905269.db2.gz YIFODMKLFPPXGW-KRWDZBQOSA-N 1 2 298.386 3.249 40 0 CGABLO CC[C@H](C)Nc1cc(N2CCc3ccccc3C2)nc[nH+]1 ZINC000243669334 524005811 /nfs/dbraw/zinc/00/58/11/524005811.db2.gz PDAPWBYXWRSTFA-ZDUSSCGKSA-N 1 2 282.391 3.250 40 0 CGABLO CC[C@H](C)Nc1cc(N2CCc3ccccc3C2)[nH+]cn1 ZINC000243669334 524005815 /nfs/dbraw/zinc/00/58/15/524005815.db2.gz PDAPWBYXWRSTFA-ZDUSSCGKSA-N 1 2 282.391 3.250 40 0 CGABLO O=C1C(c2ccccc2)Sc2c3ccccc3cn[n+]21 ZINC000004070291 368530094 /nfs/dbraw/zinc/53/00/94/368530094.db2.gz GNLXQKPAIXQWRD-UHFFFAOYSA-O 1 2 279.344 3.408 40 0 CGABLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccccc2)c1C ZINC000051234747 369448369 /nfs/dbraw/zinc/44/83/69/369448369.db2.gz DPBPGAXZJZEKEO-UHFFFAOYSA-N 1 2 285.347 3.029 40 0 CGABLO CC(C)n1ccc(C[NH2+]Cc2cccc(F)c2F)n1 ZINC000256053752 190004994 /nfs/dbraw/zinc/00/49/94/190004994.db2.gz SRNTWROEEFEKMZ-UHFFFAOYSA-N 1 2 265.307 3.032 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccccc2Cl)[nH+]1 ZINC000257304500 190030423 /nfs/dbraw/zinc/03/04/23/190030423.db2.gz SLYGAKODHBNWCR-ZDUSSCGKSA-N 1 2 289.766 3.349 40 0 CGABLO Cc1nc(N2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC000257343957 190037594 /nfs/dbraw/zinc/03/75/94/190037594.db2.gz ZVCDOCDIXIWTAX-QLPKVWCKSA-N 1 2 295.386 3.079 40 0 CGABLO CNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212483 392197233 /nfs/dbraw/zinc/19/72/33/392197233.db2.gz IZPSFDOVXOSEBI-HNNXBMFYSA-N 1 2 281.359 3.101 40 0 CGABLO CCNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213081 392198548 /nfs/dbraw/zinc/19/85/48/392198548.db2.gz GSGBZVDNPKIEHY-INIZCTEOSA-N 1 2 295.386 3.491 40 0 CGABLO CCN(CC)c1ccc([C@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072212871 392198872 /nfs/dbraw/zinc/19/88/72/392198872.db2.gz JNUNBIGUPJAECN-OAHLLOKOSA-N 1 2 275.396 3.001 40 0 CGABLO CC[C@@H](O)c1c[nH+]c(N2CCc3ccccc3C2)cc1C ZINC000072223892 392203196 /nfs/dbraw/zinc/20/31/96/392203196.db2.gz SPAGAFJPQUVJGJ-QGZVFWFLSA-N 1 2 282.387 3.396 40 0 CGABLO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[NH+]1CCCCC1 ZINC000005003304 170053674 /nfs/dbraw/zinc/05/36/74/170053674.db2.gz OGERQOKJJMDILG-ARFHVFGLSA-N 1 2 281.440 3.476 40 0 CGABLO Clc1ccc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000072381580 176387550 /nfs/dbraw/zinc/38/75/50/176387550.db2.gz MJHFNQHUYKJNAD-GFCCVEGCSA-N 1 2 261.756 3.053 40 0 CGABLO Clc1ccc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000072381580 176387551 /nfs/dbraw/zinc/38/75/51/176387551.db2.gz MJHFNQHUYKJNAD-GFCCVEGCSA-N 1 2 261.756 3.053 40 0 CGABLO CCC(F)(F)C(C)(C)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000685939055 544110170 /nfs/dbraw/zinc/11/01/70/544110170.db2.gz LSEKRWWWAGPYAD-UHFFFAOYSA-N 1 2 295.337 3.146 40 0 CGABLO CC(C)c1nc2sc3c(c2c(NN)[nH+]1)CC[C@@H](C)C3 ZINC000004888864 278078757 /nfs/dbraw/zinc/07/87/57/278078757.db2.gz TVPNEWKNUGGOKP-MRVPVSSYSA-N 1 2 276.409 3.225 40 0 CGABLO Cc1csc(SCc2cn3ccccc3[nH+]2)n1 ZINC000016363201 368711440 /nfs/dbraw/zinc/71/14/40/368711440.db2.gz RBOYFARFWLMZPZ-UHFFFAOYSA-N 1 2 261.375 3.392 40 0 CGABLO c1ccc(CO[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000031911760 368920990 /nfs/dbraw/zinc/92/09/90/368920990.db2.gz RNHGFWLHLPQFEO-IBGZPJMESA-N 1 2 297.398 3.277 40 0 CGABLO CCSc1nc(Nc2cccc(C(C)=O)c2)cc(N)[nH+]1 ZINC000049467534 369402679 /nfs/dbraw/zinc/40/26/79/369402679.db2.gz XHDVLIPLKVYJNO-UHFFFAOYSA-N 1 2 288.376 3.117 40 0 CGABLO CCSc1nc(N)cc(Nc2cccc(C(C)=O)c2)[nH+]1 ZINC000049467534 369402682 /nfs/dbraw/zinc/40/26/82/369402682.db2.gz XHDVLIPLKVYJNO-UHFFFAOYSA-N 1 2 288.376 3.117 40 0 CGABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccccc1 ZINC000226260576 376348306 /nfs/dbraw/zinc/34/83/06/376348306.db2.gz DUHCEGZBVGZXNY-UHFFFAOYSA-N 1 2 283.375 3.367 40 0 CGABLO Cc1cn2c(cccc2[C@@H]2CCCN2c2cc(C)ncn2)[nH+]1 ZINC000257226361 377795486 /nfs/dbraw/zinc/79/54/86/377795486.db2.gz FKIPOTCQNZGLAR-AWEZNQCLSA-N 1 2 293.374 3.083 40 0 CGABLO CCNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213082 392198489 /nfs/dbraw/zinc/19/84/89/392198489.db2.gz GSGBZVDNPKIEHY-MRXNPFEDSA-N 1 2 295.386 3.491 40 0 CGABLO CC(=O)N1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)[nH+]c1 ZINC000072212949 392199054 /nfs/dbraw/zinc/19/90/54/392199054.db2.gz SPKYARYKRSZLEV-INIZCTEOSA-N 1 2 289.423 3.388 40 0 CGABLO CCN(C)c1ccc(C(=O)c2ccccc2)c(C)[nH+]1 ZINC000072224276 392202907 /nfs/dbraw/zinc/20/29/07/392202907.db2.gz PJFVXRAOUDTOEE-UHFFFAOYSA-N 1 2 254.333 3.077 40 0 CGABLO Cc1[nH+]c(N2CCc3ccccc3C2)ccc1[C@H](C)O ZINC000072224932 392204489 /nfs/dbraw/zinc/20/44/89/392204489.db2.gz WOLCTIIVZFNSNW-ZDUSSCGKSA-N 1 2 268.360 3.006 40 0 CGABLO Cc1ccc2[nH+]c(NCCNC(=O)C(C)C)c(C)cc2c1 ZINC000004886158 170036438 /nfs/dbraw/zinc/03/64/38/170036438.db2.gz MYCIVPDPPKRDJK-UHFFFAOYSA-N 1 2 285.391 3.036 40 0 CGABLO CCOC(=O)COc1cc(C)[nH+]c2ccc(CC)cc21 ZINC000062719730 520799203 /nfs/dbraw/zinc/79/92/03/520799203.db2.gz VTYPAOOGTHKURE-UHFFFAOYSA-N 1 2 273.332 3.048 40 0 CGABLO CCc1[nH+]c2cc(Br)ccc2n1CC ZINC000256052108 346399554 /nfs/dbraw/zinc/39/95/54/346399554.db2.gz LYEGMZMHACNJIG-UHFFFAOYSA-N 1 2 253.143 3.381 40 0 CGABLO CCC(=O)N1CCCC[C@H]1c1[nH+]c(C)n2ccsc12 ZINC000585178901 346726186 /nfs/dbraw/zinc/72/61/86/346726186.db2.gz JVHFPSOGEURVDT-NSHDSACASA-N 1 2 277.393 3.168 40 0 CGABLO CC(=O)OCCn1c(C)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000001726647 368435744 /nfs/dbraw/zinc/43/57/44/368435744.db2.gz SNYPYUFXVIJUNY-UHFFFAOYSA-N 1 2 287.146 3.215 40 0 CGABLO Cc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1C ZINC000155508224 371931821 /nfs/dbraw/zinc/93/18/21/371931821.db2.gz NJVAUYADAPHDMY-UHFFFAOYSA-N 1 2 280.371 3.258 40 0 CGABLO CC(C)n1ccc(C[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000256052991 190004522 /nfs/dbraw/zinc/00/45/22/190004522.db2.gz POPSLRLEFXTELX-UHFFFAOYSA-N 1 2 265.307 3.032 40 0 CGABLO CNc1cc([C@H]2CCCN2C(=O)CC2CCCC2)cc[nH+]1 ZINC000257234289 190016875 /nfs/dbraw/zinc/01/68/75/190016875.db2.gz GSWSCSVEKXACQG-OAHLLOKOSA-N 1 2 287.407 3.367 40 0 CGABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)ccn1 ZINC000257272172 190023614 /nfs/dbraw/zinc/02/36/14/190023614.db2.gz NBHRSQKXYAJTDJ-OAHLLOKOSA-N 1 2 299.422 3.238 40 0 CGABLO CNc1cc([C@H]2CCC[N@H+]2Cc2nccn2C(C)C)ccn1 ZINC000257272172 190023615 /nfs/dbraw/zinc/02/36/15/190023615.db2.gz NBHRSQKXYAJTDJ-OAHLLOKOSA-N 1 2 299.422 3.238 40 0 CGABLO Cc1cn2c(cccc2[C@@H]2CCCN(C(=O)C(C)C)C2)[nH+]1 ZINC000257292090 190027872 /nfs/dbraw/zinc/02/78/72/190027872.db2.gz QJXUUWCZRQYYKW-CQSZACIVSA-N 1 2 285.391 3.005 40 0 CGABLO S=C(Nc1cc[nH+]cc1)NC1(c2ccco2)CCCC1 ZINC000225874589 376333076 /nfs/dbraw/zinc/33/30/76/376333076.db2.gz BEUVVAMICGTRKJ-UHFFFAOYSA-N 1 2 287.388 3.431 40 0 CGABLO Cc1cc(NC(C)C)[nH+]cc1C(=O)c1ccccc1 ZINC000072223002 256706000 /nfs/dbraw/zinc/70/60/00/256706000.db2.gz UIXLBTUXIYMYML-UHFFFAOYSA-N 1 2 254.333 3.441 40 0 CGABLO C1=C[C@H]2[C@H](C1)[C@H]1C[C@@H]2[C@@H]2[C@H]1N=[NH+]N2c1ccccc1 ZINC000004143763 391918867 /nfs/dbraw/zinc/91/88/67/391918867.db2.gz BXFFCCHZYGRDBR-KXKVQDCLSA-N 1 2 251.333 3.453 40 0 CGABLO CNc1[nH+]cc([C@@H]2CCCN2C(=O)c2ccccc2)cc1C ZINC000072218987 392200609 /nfs/dbraw/zinc/20/06/09/392200609.db2.gz AAYPJMDOVKHKSG-INIZCTEOSA-N 1 2 295.386 3.409 40 0 CGABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072222462 392201790 /nfs/dbraw/zinc/20/17/90/392201790.db2.gz AOEDKIBIKHEOME-KRWDZBQOSA-N 1 2 282.387 3.462 40 0 CGABLO Cc1[nH+]c(N2CCCC2)ccc1[C@H](O)c1ccccc1 ZINC000072224521 392204660 /nfs/dbraw/zinc/20/46/60/392204660.db2.gz JADWKGMLBXKAAS-QGZVFWFLSA-N 1 2 268.360 3.072 40 0 CGABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328964056 392677185 /nfs/dbraw/zinc/67/71/85/392677185.db2.gz BSLJJMJCVLJCOQ-UHFFFAOYSA-N 1 2 294.402 3.133 40 0 CGABLO CC(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000004861876 170032077 /nfs/dbraw/zinc/03/20/77/170032077.db2.gz JDEHEEZRDBLNQI-UHFFFAOYSA-N 1 2 279.343 3.307 40 0 CGABLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1cccs1 ZINC000005627757 170121445 /nfs/dbraw/zinc/12/14/45/170121445.db2.gz SAMHSMYJLQIABL-NSHDSACASA-N 1 2 299.399 3.284 40 0 CGABLO Cc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)c(C)c1 ZINC000008369077 170333438 /nfs/dbraw/zinc/33/34/38/170333438.db2.gz YMBDTWFNOQXNTD-UHFFFAOYSA-N 1 2 280.371 3.258 40 0 CGABLO Cc1cc(N2CCCCC2)nc(-c2ccc(N)cc2)[nH+]1 ZINC000226103357 136585459 /nfs/dbraw/zinc/58/54/59/136585459.db2.gz KSIYBNZINNBKPL-UHFFFAOYSA-N 1 2 268.364 3.025 40 0 CGABLO Cn1cc2c(n1)-c1ccn(C)c1C[N@@H+](Cc1cccs1)C2 ZINC000306125514 374125722 /nfs/dbraw/zinc/12/57/22/374125722.db2.gz CSZIOTKLMYVNOM-UHFFFAOYSA-N 1 2 298.415 3.003 40 0 CGABLO Cn1cc2c(n1)-c1ccn(C)c1C[N@H+](Cc1cccs1)C2 ZINC000306125514 374125729 /nfs/dbraw/zinc/12/57/29/374125729.db2.gz CSZIOTKLMYVNOM-UHFFFAOYSA-N 1 2 298.415 3.003 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2C(=O)C=Cc2ccccc2)[nH+]1 ZINC000257305286 190031546 /nfs/dbraw/zinc/03/15/46/190031546.db2.gz SPGVARYWQRIHSU-BOLDSZDNSA-N 1 2 281.359 3.095 40 0 CGABLO CCCOC(=O)c1cc(N)ccc1[NH+]1CCCCCC1 ZINC000225486003 376313400 /nfs/dbraw/zinc/31/34/00/376313400.db2.gz STIQQMDZRQTUKT-UHFFFAOYSA-N 1 2 276.380 3.216 40 0 CGABLO CC(C)C(NC(=S)Nc1cc[nH+]cc1)C(C)C ZINC000225328894 376303146 /nfs/dbraw/zinc/30/31/46/376303146.db2.gz QMKQKFMUGXNYCX-UHFFFAOYSA-N 1 2 251.399 3.049 40 0 CGABLO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N2CCCCC2)c(C)c1 ZINC000072219154 256708257 /nfs/dbraw/zinc/70/82/57/256708257.db2.gz HMRGLXUTXFYQLK-MRXNPFEDSA-N 1 2 287.407 3.064 40 0 CGABLO CC[C@H](O)c1c[nH+]c(NCc2ccccc2)c(C)c1 ZINC000072222331 392201421 /nfs/dbraw/zinc/20/14/21/392201421.db2.gz NUHCQEPWMZHLOJ-HNNXBMFYSA-N 1 2 256.349 3.446 40 0 CGABLO Cc1ccccc1-c1nnc([C@@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095534001 185006864 /nfs/dbraw/zinc/00/68/64/185006864.db2.gz QUOTWEIABHBGHG-AWEZNQCLSA-N 1 2 298.777 3.482 40 0 CGABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CCCCC1 ZINC000066982275 369709095 /nfs/dbraw/zinc/70/90/95/369709095.db2.gz UMGCPRSFDGCZRN-UHFFFAOYSA-N 1 2 298.390 3.004 40 0 CGABLO CC(C)[N@@H+]1CCc2sc(Br)cc2C1 ZINC000095097534 370176054 /nfs/dbraw/zinc/17/60/54/370176054.db2.gz CCPJRINJZZVGLI-UHFFFAOYSA-N 1 2 260.200 3.277 40 0 CGABLO CC(C)[N@H+]1CCc2sc(Br)cc2C1 ZINC000095097534 370176057 /nfs/dbraw/zinc/17/60/57/370176057.db2.gz CCPJRINJZZVGLI-UHFFFAOYSA-N 1 2 260.200 3.277 40 0 CGABLO O=C(c1cccs1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257337978 190036352 /nfs/dbraw/zinc/03/63/52/190036352.db2.gz YVGVXURARXOEOY-ZDUSSCGKSA-N 1 2 297.383 3.373 40 0 CGABLO Oc1ccc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1 ZINC000012188498 285385382 /nfs/dbraw/zinc/38/53/82/285385382.db2.gz PXXYAEVJBPDGBX-HNNXBMFYSA-N 1 2 299.761 3.232 40 0 CGABLO CNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212572 392197704 /nfs/dbraw/zinc/19/77/04/392197704.db2.gz LJRWZQWFRDRSEY-INIZCTEOSA-N 1 2 295.386 3.491 40 0 CGABLO Cc1[nH+]c(NC2CC2)ccc1C(=O)c1ccccc1 ZINC000072224851 392204354 /nfs/dbraw/zinc/20/43/54/392204354.db2.gz JDZCLPPIGOTVLG-UHFFFAOYSA-N 1 2 252.317 3.195 40 0 CGABLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+]1CCCCC1 ZINC000005003303 170053845 /nfs/dbraw/zinc/05/38/45/170053845.db2.gz OGERQOKJJMDILG-BZUAXINKSA-N 1 2 281.440 3.476 40 0 CGABLO Cc1[nH+]cc([C@H](O)c2ccccc2)n1Cc1ccccc1 ZINC000005504228 170105363 /nfs/dbraw/zinc/10/53/63/170105363.db2.gz GBUGQAWJERQJJQ-GOSISDBHSA-N 1 2 278.355 3.322 40 0 CGABLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020460071 171208915 /nfs/dbraw/zinc/20/89/15/171208915.db2.gz UQEOLIDOQMAQKD-UHFFFAOYSA-N 1 2 291.354 3.111 40 0 CGABLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000044910338 175275501 /nfs/dbraw/zinc/27/55/01/175275501.db2.gz ALGNYMOTXDDULQ-UHFFFAOYSA-N 1 2 291.354 3.208 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000072364010 176378827 /nfs/dbraw/zinc/37/88/27/176378827.db2.gz LBMOIIPWPHQQST-AWEZNQCLSA-N 1 2 259.328 3.194 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000072364010 176378829 /nfs/dbraw/zinc/37/88/29/176378829.db2.gz LBMOIIPWPHQQST-AWEZNQCLSA-N 1 2 259.328 3.194 40 0 CGABLO CC(=O)N1CCCC[C@@H]1CCc1cc[nH+]c(NC(C)C)c1 ZINC000072364957 176379992 /nfs/dbraw/zinc/37/99/92/176379992.db2.gz SESQVNJUJREHQT-MRXNPFEDSA-N 1 2 289.423 3.236 40 0 CGABLO CC(=O)N1CCCC[C@H]1CCc1cc[nH+]c(NC(C)C)c1 ZINC000072364956 176380204 /nfs/dbraw/zinc/38/02/04/176380204.db2.gz SESQVNJUJREHQT-INIZCTEOSA-N 1 2 289.423 3.236 40 0 CGABLO Cc1cc(C)n(-c2cc(N(C)C)[nH+]c(-c3ccccc3)n2)n1 ZINC000000353525 278673929 /nfs/dbraw/zinc/67/39/29/278673929.db2.gz PTOOUUOUNLDRTM-UHFFFAOYSA-N 1 2 293.374 3.012 40 0 CGABLO C[C@@H]1C[C@@H](C)CN(c2ccc3cccc(O)c3[nH+]2)C1 ZINC000041669434 288481648 /nfs/dbraw/zinc/48/16/48/288481648.db2.gz UCULUPVOLPBLEB-VXGBXAGGSA-N 1 2 256.349 3.423 40 0 CGABLO Cc1ccccc1-c1nnc([C@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095534000 185005682 /nfs/dbraw/zinc/00/56/82/185005682.db2.gz QUOTWEIABHBGHG-CQSZACIVSA-N 1 2 298.777 3.482 40 0 CGABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc(F)cc1)C2 ZINC000008367557 344874242 /nfs/dbraw/zinc/87/42/42/344874242.db2.gz NVCINAUIOWGDQF-UHFFFAOYSA-N 1 2 298.361 3.397 40 0 CGABLO Fc1ccc(-c2nc(NC3CC3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221818 368606176 /nfs/dbraw/zinc/60/61/76/368606176.db2.gz CTAJVNOPZRATKU-UHFFFAOYSA-N 1 2 295.321 3.247 40 0 CGABLO CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000013947598 368670719 /nfs/dbraw/zinc/67/07/19/368670719.db2.gz KEWOTCHTJKABMT-LBPRGKRZSA-N 1 2 290.388 3.396 40 0 CGABLO CCOc1ccc(CNc2cccc[nH+]2)cc1OC ZINC000019777305 368766302 /nfs/dbraw/zinc/76/63/02/368766302.db2.gz MEZVLUSXZSZCQP-UHFFFAOYSA-N 1 2 258.321 3.101 40 0 CGABLO C[C@H](Cc1ccccc1)N([NH3+])[C@H](C)Cc1ccccc1 ZINC000019167494 368745962 /nfs/dbraw/zinc/74/59/62/368745962.db2.gz QVOJXFDCMPKDQW-HZPDHXFCSA-N 1 2 268.404 3.425 40 0 CGABLO CCOC(=O)c1c[nH+]c2c(cccc2C(C)C)c1N ZINC000050843195 369443235 /nfs/dbraw/zinc/44/32/35/369443235.db2.gz AALOMAFRSFNPHU-UHFFFAOYSA-N 1 2 258.321 3.117 40 0 CGABLO Cc1cccc2cc3c(nc12)O[C@H](C)C[N@@H+](C1CC1)C3 ZINC000072392472 369818215 /nfs/dbraw/zinc/81/82/15/369818215.db2.gz HVEXEHVGBFGKCY-GFCCVEGCSA-N 1 2 268.360 3.289 40 0 CGABLO Cc1cccc2cc3c(nc12)O[C@H](C)C[N@H+](C1CC1)C3 ZINC000072392472 369818218 /nfs/dbraw/zinc/81/82/18/369818218.db2.gz HVEXEHVGBFGKCY-GFCCVEGCSA-N 1 2 268.360 3.289 40 0 CGABLO CCNc1nc(Nc2ccc(C)cc2)cc(C2CC2)[nH+]1 ZINC000329066563 374399919 /nfs/dbraw/zinc/39/99/19/374399919.db2.gz YAXATPLWVAEDIF-UHFFFAOYSA-N 1 2 268.364 3.260 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2sccc2C)[nH+]1 ZINC000257211811 190012618 /nfs/dbraw/zinc/01/26/18/190012618.db2.gz CAMVXTANZNSNPI-LLVKDONJSA-N 1 2 275.377 3.065 40 0 CGABLO CN(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCCC1 ZINC000072214509 392198794 /nfs/dbraw/zinc/19/87/94/392198794.db2.gz BRETUGKWNYEHSS-UHFFFAOYSA-N 1 2 289.379 3.426 40 0 CGABLO CCN(CC)c1cc(C)c(C(=O)c2ccccc2)c[nH+]1 ZINC000072223259 392202824 /nfs/dbraw/zinc/20/28/24/392202824.db2.gz VRNUBYIBOCZQEA-UHFFFAOYSA-N 1 2 268.360 3.467 40 0 CGABLO O[C@@H](/C=C/c1ccccc1)Cc1[nH]c2ccccc2[nH+]1 ZINC000006514311 170208855 /nfs/dbraw/zinc/20/88/55/170208855.db2.gz HPAPYULRKWBJBF-VNDWYCCKSA-N 1 2 264.328 3.180 40 0 CGABLO Cc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020456476 171208452 /nfs/dbraw/zinc/20/84/52/171208452.db2.gz MOWWXHYAZATTCF-UHFFFAOYSA-N 1 2 291.354 3.111 40 0 CGABLO CC(C)Nc1nc(NC2CCCCC2)c(NC(C)C)n[nH+]1 ZINC000035682798 172353048 /nfs/dbraw/zinc/35/30/48/172353048.db2.gz GJFAIWRMCNHWCE-UHFFFAOYSA-N 1 2 292.431 3.257 40 0 CGABLO CCNc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000329038637 202164524 /nfs/dbraw/zinc/16/45/24/202164524.db2.gz RTSIWEAHDSFVIP-UHFFFAOYSA-N 1 2 272.327 3.090 40 0 CGABLO CC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1cccc(C)c1 ZINC000000425598 368362643 /nfs/dbraw/zinc/36/26/43/368362643.db2.gz ZTDJYKDOKYGZAY-GFCCVEGCSA-N 1 2 281.363 3.334 40 0 CGABLO CC(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000000814394 368396028 /nfs/dbraw/zinc/39/60/28/368396028.db2.gz MPDOPBKFZNOPOX-UHFFFAOYSA-N 1 2 279.343 3.307 40 0 CGABLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[NH+]1CCCCC1 ZINC000013304822 368648764 /nfs/dbraw/zinc/64/87/64/368648764.db2.gz OGERQOKJJMDILG-OAGGEKHMSA-N 1 2 281.440 3.476 40 0 CGABLO CC(C)(C)[N@@H+]1CCO[C@H](c2cc(F)ccc2F)C1 ZINC000014982330 368686470 /nfs/dbraw/zinc/68/64/70/368686470.db2.gz IPMBAZNHQAZDGX-ZDUSSCGKSA-N 1 2 255.308 3.137 40 0 CGABLO CC(C)(C)[N@H+]1CCO[C@H](c2cc(F)ccc2F)C1 ZINC000014982330 368686474 /nfs/dbraw/zinc/68/64/74/368686474.db2.gz IPMBAZNHQAZDGX-ZDUSSCGKSA-N 1 2 255.308 3.137 40 0 CGABLO C[C@@H](CC(=O)Nc1nc(C(C)(C)C)cs1)n1cc[nH+]c1 ZINC000019455536 368752407 /nfs/dbraw/zinc/75/24/07/368752407.db2.gz ZKCKETQCZAQINA-JTQLQIEISA-N 1 2 292.408 3.227 40 0 CGABLO Cc1cc(C)cc(Nc2cc(N)nc(C3CC3)[nH+]2)c1 ZINC000049467586 369402793 /nfs/dbraw/zinc/40/27/93/369402793.db2.gz ROBWSIWWGUXPMY-UHFFFAOYSA-N 1 2 254.337 3.297 40 0 CGABLO Cc1cc(C)cc(Nc2cc(N)[nH+]c(C3CC3)n2)c1 ZINC000049467586 369402797 /nfs/dbraw/zinc/40/27/97/369402797.db2.gz ROBWSIWWGUXPMY-UHFFFAOYSA-N 1 2 254.337 3.297 40 0 CGABLO CNc1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212573 369814938 /nfs/dbraw/zinc/81/49/38/369814938.db2.gz LJRWZQWFRDRSEY-MRXNPFEDSA-N 1 2 295.386 3.491 40 0 CGABLO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000082046612 369998148 /nfs/dbraw/zinc/99/81/48/369998148.db2.gz CUYSHPOIPCNCLY-CYBMUJFWSA-N 1 2 296.798 3.221 40 0 CGABLO CCC1=[NH+]c2sc3c(c2[C@@H]2NN[C@H](CC)N12)CCCC3 ZINC000096305923 370210905 /nfs/dbraw/zinc/21/09/05/370210905.db2.gz NWHIEONSEBOYLJ-GXTWGEPZSA-N 1 2 290.436 3.225 40 0 CGABLO COc1ccccc1-c1cnc(C[C@@H]2CCC[NH2+]CC2)cn1 ZINC000257323739 190034055 /nfs/dbraw/zinc/03/40/55/190034055.db2.gz WLQFTAOOVNGHNX-CQSZACIVSA-N 1 2 297.402 3.084 40 0 CGABLO Cc1cc([C@@H](C)O)c[nH+]c1N1CCc2ccccc2C1 ZINC000072222845 392201962 /nfs/dbraw/zinc/20/19/62/392201962.db2.gz SSPZAGQARGXPAK-CYBMUJFWSA-N 1 2 268.360 3.006 40 0 CGABLO Cc1[nH+]c(N2CCc3ccccc32)ccc1[C@@H](C)O ZINC000072224985 392204185 /nfs/dbraw/zinc/20/41/85/392204185.db2.gz MOKWSINZAVZBQU-GFCCVEGCSA-N 1 2 254.333 3.138 40 0 CGABLO CC(C)Nc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000329063944 392679065 /nfs/dbraw/zinc/67/90/65/392679065.db2.gz XGPOIPUPSVWQIZ-UHFFFAOYSA-N 1 2 286.354 3.479 40 0 CGABLO COc1ccc(Cc2[nH]c3ccc(C)cc3[nH+]2)cc1 ZINC000005818401 170143738 /nfs/dbraw/zinc/14/37/38/170143738.db2.gz XXEOYYKCXQJBSG-UHFFFAOYSA-N 1 2 252.317 3.471 40 0 CGABLO COc1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1Cl ZINC000022124671 171354014 /nfs/dbraw/zinc/35/40/14/171354014.db2.gz DXLOWUOTFJJJAX-UHFFFAOYSA-N 1 2 273.723 3.474 40 0 CGABLO Cc1[nH+]cc([C@@H](O)c2ccccc2)n1Cc1ccccc1 ZINC000013281803 326839061 /nfs/dbraw/zinc/83/90/61/326839061.db2.gz GBUGQAWJERQJJQ-SFHVURJKSA-N 1 2 278.355 3.322 40 0 CGABLO c1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]cn1)C2 ZINC000244203993 136386543 /nfs/dbraw/zinc/38/65/43/136386543.db2.gz VQJAVSUMLRXIQK-UHFFFAOYSA-N 1 2 294.402 3.394 40 0 CGABLO c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc[nH+]1)C2 ZINC000244203993 136386544 /nfs/dbraw/zinc/38/65/44/136386544.db2.gz VQJAVSUMLRXIQK-UHFFFAOYSA-N 1 2 294.402 3.394 40 0 CGABLO Cn1c2cc(F)ccc2[nH+]c1N1CCC[C@@H]1c1cccnc1 ZINC000431032877 372418063 /nfs/dbraw/zinc/41/80/63/372418063.db2.gz FJRYOSCYCRFDPK-OAHLLOKOSA-N 1 2 296.349 3.449 40 0 CGABLO Cc1csc(C(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)c1 ZINC000257245955 190019346 /nfs/dbraw/zinc/01/93/46/190019346.db2.gz IRVJPXSQSHDNOY-GFCCVEGCSA-N 1 2 289.404 3.108 40 0 CGABLO CCOc1ccccc1C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC000257299164 190029917 /nfs/dbraw/zinc/02/99/17/190029917.db2.gz ROZBVZWPSWJHMB-SFHVURJKSA-N 1 2 298.386 3.054 40 0 CGABLO CCOc1ccccc1C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC000257299164 190029918 /nfs/dbraw/zinc/02/99/18/190029918.db2.gz ROZBVZWPSWJHMB-SFHVURJKSA-N 1 2 298.386 3.054 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc(C)s2)[nH+]1 ZINC000257301571 190030083 /nfs/dbraw/zinc/03/00/83/190030083.db2.gz RZAKPQBTWRNPMT-NSHDSACASA-N 1 2 275.377 3.065 40 0 CGABLO CCCn1ccnc1C[N@@H+]1CCC[C@H]1c1ccnc(NC)c1 ZINC000257319774 190033765 /nfs/dbraw/zinc/03/37/65/190033765.db2.gz VTZPYOKMXWEXNN-HNNXBMFYSA-N 1 2 299.422 3.067 40 0 CGABLO CCCn1ccnc1C[N@H+]1CCC[C@H]1c1ccnc(NC)c1 ZINC000257319774 190033766 /nfs/dbraw/zinc/03/37/66/190033766.db2.gz VTZPYOKMXWEXNN-HNNXBMFYSA-N 1 2 299.422 3.067 40 0 CGABLO CCn1nc(C)c(C[NH2+]Cc2csc(C3CC3)n2)c1C ZINC000069876878 392176077 /nfs/dbraw/zinc/17/60/77/392176077.db2.gz MZOFHYDDQHXQBL-UHFFFAOYSA-N 1 2 290.436 3.144 40 0 CGABLO CNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212484 392197147 /nfs/dbraw/zinc/19/71/47/392197147.db2.gz IZPSFDOVXOSEBI-OAHLLOKOSA-N 1 2 281.359 3.101 40 0 CGABLO CN(C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212593 392198707 /nfs/dbraw/zinc/19/87/07/392198707.db2.gz AIGDVFGDCWBRHP-CYBMUJFWSA-N 1 2 291.395 3.220 40 0 CGABLO CCCCNc1[nH+]cccc1[C@H]1CCCCN1C(C)=O ZINC000072213633 392198966 /nfs/dbraw/zinc/19/89/66/392198966.db2.gz QTLCONHCHDVKMR-OAHLLOKOSA-N 1 2 275.396 3.367 40 0 CGABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C(C)=O ZINC000072213453 392199151 /nfs/dbraw/zinc/19/91/51/392199151.db2.gz HGBHNKQOQWNQOP-DOMZBBRYSA-N 1 2 275.396 3.366 40 0 CGABLO Cc1[nH+]c(NC(C)C)ccc1C(=O)c1ccccc1 ZINC000072224044 392203033 /nfs/dbraw/zinc/20/30/33/392203033.db2.gz JUGCBQHFBRXBPX-UHFFFAOYSA-N 1 2 254.333 3.441 40 0 CGABLO CC[C@@H](O)c1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000072225767 392204399 /nfs/dbraw/zinc/20/43/99/392204399.db2.gz IWMJLAIABNMRNP-MRXNPFEDSA-N 1 2 268.360 3.088 40 0 CGABLO CC(=O)Nc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1 ZINC000005408066 170095385 /nfs/dbraw/zinc/09/53/85/170095385.db2.gz OFANCEGMLDNVTH-UHFFFAOYSA-N 1 2 265.316 3.112 40 0 CGABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1[nH]ncc1C ZINC000072363815 176378170 /nfs/dbraw/zinc/37/81/70/176378170.db2.gz MVVADVOSMBMZKE-AWEZNQCLSA-N 1 2 271.364 3.064 40 0 CGABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1[nH]ncc1C ZINC000072363815 176378172 /nfs/dbraw/zinc/37/81/72/176378172.db2.gz MVVADVOSMBMZKE-AWEZNQCLSA-N 1 2 271.364 3.064 40 0 CGABLO COc1ccc([C@@H]2C[N@H+](C)COC23CCCCC3)cc1 ZINC000004343371 295225693 /nfs/dbraw/zinc/22/56/93/295225693.db2.gz LAMCFGHHGFIVSC-INIZCTEOSA-N 1 2 275.392 3.401 40 0 in-vitro CGABLO COc1ccc([C@@H]2C[N@@H+](C)COC23CCCCC3)cc1 ZINC000004343371 295225697 /nfs/dbraw/zinc/22/56/97/295225697.db2.gz LAMCFGHHGFIVSC-INIZCTEOSA-N 1 2 275.392 3.401 40 0 in-vitro CGABLO CCNc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329053966 528000937 /nfs/dbraw/zinc/00/09/37/528000937.db2.gz VIPGVIIFJHWTAF-UHFFFAOYSA-N 1 2 288.782 3.027 40 0 CGABLO Cc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000019287092 282140513 /nfs/dbraw/zinc/14/05/13/282140513.db2.gz SEHYQAJOFMWBSF-UHFFFAOYSA-N 1 2 270.723 3.496 40 0 CGABLO CC(C)(C)C(=O)Nc1cc(N)ccc1[NH+]1CCCCC1 ZINC000226253427 136386790 /nfs/dbraw/zinc/38/67/90/136386790.db2.gz NFGDNXBKAJHCAZ-UHFFFAOYSA-N 1 2 275.396 3.244 40 0 CGABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)c1 ZINC000328960062 202129374 /nfs/dbraw/zinc/12/93/74/202129374.db2.gz AWOIRZZYGQZTJJ-UHFFFAOYSA-N 1 2 296.418 3.379 40 0 CGABLO CCOc1ccccc1Nc1cc(N)[nH+]c(SCC)n1 ZINC000049467543 369402105 /nfs/dbraw/zinc/40/21/05/369402105.db2.gz AWRJFHGCPBHFID-UHFFFAOYSA-N 1 2 290.392 3.313 40 0 CGABLO C[N@@H+]1CCCC[C@H]1c1ccc(Br)nc1 ZINC000072211568 369815155 /nfs/dbraw/zinc/81/51/55/369815155.db2.gz WMEOVQRIETVYST-JTQLQIEISA-N 1 2 255.159 3.001 40 0 CGABLO C[N@H+]1CCCC[C@H]1c1ccc(Br)nc1 ZINC000072211568 369815163 /nfs/dbraw/zinc/81/51/63/369815163.db2.gz WMEOVQRIETVYST-JTQLQIEISA-N 1 2 255.159 3.001 40 0 CGABLO c1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3ccncc3)nc2c1 ZINC000257223528 190014734 /nfs/dbraw/zinc/01/47/34/190014734.db2.gz DXUAZTGTXWSNLM-MRXNPFEDSA-N 1 2 278.359 3.295 40 0 CGABLO c1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3ccncc3)nc2c1 ZINC000257223528 190014735 /nfs/dbraw/zinc/01/47/35/190014735.db2.gz DXUAZTGTXWSNLM-MRXNPFEDSA-N 1 2 278.359 3.295 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3ccccc3)C2)[nH+]1 ZINC000257266232 190023348 /nfs/dbraw/zinc/02/33/48/190023348.db2.gz MCBUARHKEJVEMD-INIZCTEOSA-N 1 2 297.402 3.057 40 0 CGABLO CCOC(=[NH2+])CCc1ccc(Br)cc1 ZINC000228959837 376455151 /nfs/dbraw/zinc/45/51/51/376455151.db2.gz IRNWEMJAVOWYOC-UHFFFAOYSA-N 1 2 256.143 3.395 40 0 CGABLO CC(C)n1cc(C[NH2+]Cc2csc(C3CCC3)n2)cn1 ZINC000095093909 256745252 /nfs/dbraw/zinc/74/52/52/256745252.db2.gz LGTDPTOZLQOXCP-UHFFFAOYSA-N 1 2 290.436 3.478 40 0 CGABLO CCOC(=O)c1c[nH+]c2cc(F)ccc2c1N(CC)CC ZINC000064874558 392143419 /nfs/dbraw/zinc/14/34/19/392143419.db2.gz RNRPLHRDKMIJDO-UHFFFAOYSA-N 1 2 290.338 3.397 40 0 CGABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N1CCCC1 ZINC000072222438 392201260 /nfs/dbraw/zinc/20/12/60/392201260.db2.gz MWLILAQWRBQNSZ-MRXNPFEDSA-N 1 2 268.360 3.072 40 0 CGABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N1CCCC1 ZINC000072222439 392201342 /nfs/dbraw/zinc/20/13/42/392201342.db2.gz MWLILAQWRBQNSZ-INIZCTEOSA-N 1 2 268.360 3.072 40 0 CGABLO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[NH+]1CCCCC1 ZINC000005003306 170053935 /nfs/dbraw/zinc/05/39/35/170053935.db2.gz OGERQOKJJMDILG-HRCADAONSA-N 1 2 281.440 3.476 40 0 CGABLO CC(C)[N@@H+]1CCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000072384618 176388815 /nfs/dbraw/zinc/38/88/15/176388815.db2.gz NSUVACSTHAMCSY-LBPRGKRZSA-N 1 2 289.408 3.222 40 0 CGABLO CC(C)[N@H+]1CCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000072384618 176388816 /nfs/dbraw/zinc/38/88/16/176388816.db2.gz NSUVACSTHAMCSY-LBPRGKRZSA-N 1 2 289.408 3.222 40 0 CGABLO [NH3+][C@@H](c1nnc(-c2cccc(Cl)c2)[nH]1)c1ccccc1 ZINC000095533393 185007476 /nfs/dbraw/zinc/00/74/76/185007476.db2.gz DMRSIKDUMNOECH-CYBMUJFWSA-N 1 2 284.750 3.173 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3sccc3C)C2)[nH+]1 ZINC000257286484 190027133 /nfs/dbraw/zinc/02/71/33/190027133.db2.gz PLTKDSUZDMCMTG-GFCCVEGCSA-N 1 2 289.404 3.108 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)[nH+]1 ZINC000257295717 190028453 /nfs/dbraw/zinc/02/84/53/190028453.db2.gz QZPFYLAOPINEIB-LBPRGKRZSA-N 1 2 289.404 3.108 40 0 CGABLO S=C(Nc1cc[nH+]cc1)N[C@H]1CCCc2ccccc21 ZINC000225462907 376311198 /nfs/dbraw/zinc/31/11/98/376311198.db2.gz ZAOLFLDWVHVNFJ-HNNXBMFYSA-N 1 2 283.400 3.446 40 0 CGABLO Nc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212396 392196799 /nfs/dbraw/zinc/19/67/99/392196799.db2.gz QNTRPFYYSVZLFR-OAHLLOKOSA-N 1 2 281.359 3.031 40 0 CGABLO CNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212512 392197441 /nfs/dbraw/zinc/19/74/41/392197441.db2.gz IPRPBLOLFQBFMT-INIZCTEOSA-N 1 2 295.386 3.491 40 0 CGABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1N1CCCC1 ZINC000072222431 392201188 /nfs/dbraw/zinc/20/11/88/392201188.db2.gz MCJSJCLRPMXOCW-UHFFFAOYSA-N 1 2 291.395 3.015 40 0 CGABLO Cc1cc(CCO)c[nH+]c1N1CCCc2ccccc21 ZINC000072222887 392203136 /nfs/dbraw/zinc/20/31/36/392203136.db2.gz QIJAQHDATMUBSO-UHFFFAOYSA-N 1 2 268.360 3.009 40 0 CGABLO Cc1ccc(-c2n[nH]c([C@H]([NH3+])c3ccc(C)cc3)n2)cc1 ZINC000095534168 392244233 /nfs/dbraw/zinc/24/42/33/392244233.db2.gz UIURUPKANJLEOX-OAHLLOKOSA-N 1 2 278.359 3.137 40 0 CGABLO CCNc1cc(N2CCc3cc(Cl)ccc3C2)nc[nH+]1 ZINC000328956479 535522954 /nfs/dbraw/zinc/52/29/54/535522954.db2.gz AGIAZXCNHMXDPG-UHFFFAOYSA-N 1 2 288.782 3.125 40 0 CGABLO CCNc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]cn1 ZINC000328956479 535522956 /nfs/dbraw/zinc/52/29/56/535522956.db2.gz AGIAZXCNHMXDPG-UHFFFAOYSA-N 1 2 288.782 3.125 40 0 CGABLO COc1cccc(CN(Cc2ccco2)Cc2[nH]cc[nH+]2)c1 ZINC000012147063 368605183 /nfs/dbraw/zinc/60/51/83/368605183.db2.gz LUIHYLOYSITGPN-UHFFFAOYSA-N 1 2 297.358 3.214 40 0 CGABLO CCOC(=O)c1ccc(-c2cn3cc(C)ccc3[nH+]2)cc1 ZINC000034127580 368972494 /nfs/dbraw/zinc/97/24/94/368972494.db2.gz JOQPDAAQTAOZFH-UHFFFAOYSA-N 1 2 280.327 3.486 40 0 in-vitro CGABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)n1 ZINC000257213903 190013056 /nfs/dbraw/zinc/01/30/56/190013056.db2.gz CJPODMBYATVBPD-MRXNPFEDSA-N 1 2 289.329 3.400 40 0 CGABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2F)n1 ZINC000257213903 190013057 /nfs/dbraw/zinc/01/30/57/190013057.db2.gz CJPODMBYATVBPD-MRXNPFEDSA-N 1 2 289.329 3.400 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CC3CCCCC3)C2)[nH+]1 ZINC000257220496 190014462 /nfs/dbraw/zinc/01/44/62/190014462.db2.gz DLBBZONPWNJDFP-HNNXBMFYSA-N 1 2 289.423 3.395 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3sccc3C)C2)[nH+]1 ZINC000257286485 190027118 /nfs/dbraw/zinc/02/71/18/190027118.db2.gz PLTKDSUZDMCMTG-LBPRGKRZSA-N 1 2 289.404 3.108 40 0 CGABLO CNc1cc([C@H]2CCCN2C(=O)c2ccccc2)cc[nH+]1 ZINC000257302801 190030085 /nfs/dbraw/zinc/03/00/85/190030085.db2.gz SEMIGPQKKQDJAE-OAHLLOKOSA-N 1 2 281.359 3.101 40 0 CGABLO Cc1cccc(CCCNC(=S)Nc2cc[nH+]cc2)c1 ZINC000225394338 376305832 /nfs/dbraw/zinc/30/58/32/376305832.db2.gz HVCYGLGEICTORM-UHFFFAOYSA-N 1 2 285.416 3.309 40 0 CGABLO CC(=O)N1CCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213951 392198520 /nfs/dbraw/zinc/19/85/20/392198520.db2.gz OVFXDPJZHPOIGV-OAHLLOKOSA-N 1 2 273.380 3.120 40 0 CGABLO CC(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2C(C)C)n1 ZINC000072378967 176385756 /nfs/dbraw/zinc/38/57/56/176385756.db2.gz QUKCFSQAYZUNRJ-OAHLLOKOSA-N 1 2 298.390 3.074 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000205687432 346283114 /nfs/dbraw/zinc/28/31/14/346283114.db2.gz FWMVHDYBHYRDJX-SNVBAGLBSA-N 1 2 261.291 3.198 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000205687432 346283116 /nfs/dbraw/zinc/28/31/16/346283116.db2.gz FWMVHDYBHYRDJX-SNVBAGLBSA-N 1 2 261.291 3.198 40 0 CGABLO CCNc1nc(Nc2ccc(OCC)cc2)cc(C2CC2)[nH+]1 ZINC000328986379 202142369 /nfs/dbraw/zinc/14/23/69/202142369.db2.gz HXZUZICYBAIKSJ-UHFFFAOYSA-N 1 2 298.390 3.350 40 0 CGABLO Cc1ccccc1Nc1nc(N)[nH+]c(C)c1Br ZINC000001679439 368430533 /nfs/dbraw/zinc/43/05/33/368430533.db2.gz HDJGPIPIXBDAIO-UHFFFAOYSA-N 1 2 293.168 3.182 40 0 CGABLO Cc1cc(N(C)C)nc(SCc2ccc(F)cc2)[nH+]1 ZINC000001681360 368431553 /nfs/dbraw/zinc/43/15/53/368431553.db2.gz MGMTTWBNGJCCFO-UHFFFAOYSA-N 1 2 277.368 3.282 40 0 CGABLO O[C@H](/C=C\c1ccccc1)Cc1[nH]c2ccccc2[nH+]1 ZINC000017175826 368730070 /nfs/dbraw/zinc/73/00/70/368730070.db2.gz HPAPYULRKWBJBF-IWMPZKFUSA-N 1 2 264.328 3.180 40 0 CGABLO Fc1cc(Br)cc(F)c1C[NH+]1CCCC1 ZINC000090413552 370060776 /nfs/dbraw/zinc/06/07/76/370060776.db2.gz GTSVBWUCMXVKMA-UHFFFAOYSA-N 1 2 276.124 3.323 40 0 CGABLO CCC(CC)C(=O)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257270128 190024312 /nfs/dbraw/zinc/02/43/12/190024312.db2.gz MSXGRCKCUPTHQT-UHFFFAOYSA-N 1 2 299.418 3.477 40 0 CGABLO CC[Si](CC)(CC)c1c[nH+]c(N(C)C)cc1F ZINC000196296880 376119739 /nfs/dbraw/zinc/11/97/39/376119739.db2.gz WZBGTHKMLRCIPI-UHFFFAOYSA-N 1 2 254.425 3.002 40 0 CGABLO CNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212474 392196778 /nfs/dbraw/zinc/19/67/78/392196778.db2.gz RZYMWGWREXBVQI-LBPRGKRZSA-N 1 2 277.368 3.195 40 0 CGABLO CCCCNc1ccc([C@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072213693 392198887 /nfs/dbraw/zinc/19/88/87/392198887.db2.gz UCUYUZQQMMANEJ-OAHLLOKOSA-N 1 2 275.396 3.367 40 0 CGABLO CCN(CC)c1ccc([C@H](O)c2ccccc2)c(C)[nH+]1 ZINC000072224306 392203322 /nfs/dbraw/zinc/20/33/22/392203322.db2.gz XMYVMPDNLZJZJM-QGZVFWFLSA-N 1 2 270.376 3.318 40 0 CGABLO Cc1csc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072357084 176375946 /nfs/dbraw/zinc/37/59/46/176375946.db2.gz XJPSOZUNACCPCY-CYBMUJFWSA-N 1 2 259.378 3.184 40 0 CGABLO Cc1csc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072357084 176375947 /nfs/dbraw/zinc/37/59/47/176375947.db2.gz XJPSOZUNACCPCY-CYBMUJFWSA-N 1 2 259.378 3.184 40 0 CGABLO Nc1cc(Nc2ccc(Cl)cc2)[nH+]c(C2CC2)n1 ZINC000049467602 369402979 /nfs/dbraw/zinc/40/29/79/369402979.db2.gz ZQZKXVRTHRZVLK-UHFFFAOYSA-N 1 2 260.728 3.333 40 0 CGABLO CC(C)(C)OC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000072225444 369818068 /nfs/dbraw/zinc/81/80/68/369818068.db2.gz PUZXSQSZCAWQGD-UHFFFAOYSA-N 1 2 291.395 3.097 40 0 CGABLO CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000100582322 370280775 /nfs/dbraw/zinc/28/07/75/370280775.db2.gz PIAGKSDCIJORIY-BETUJISGSA-N 1 2 291.395 3.329 40 0 CGABLO Cc1cc(NC[C@@H]2CCC(C)(C)O2)nc(-c2cccnc2)[nH+]1 ZINC000302486801 373877960 /nfs/dbraw/zinc/87/79/60/373877960.db2.gz YOZPMYFETMNEBJ-AWEZNQCLSA-N 1 2 298.390 3.217 40 0 CGABLO CC(C)Cn1ccc(C[NH2+]Cc2cccc(F)c2F)n1 ZINC000256049803 190002253 /nfs/dbraw/zinc/00/22/53/190002253.db2.gz BMBAYQOPKIVHQH-UHFFFAOYSA-N 1 2 279.334 3.107 40 0 CGABLO Fc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)c1F ZINC000257277790 190025718 /nfs/dbraw/zinc/02/57/18/190025718.db2.gz NZJJBLROSBEJTN-OAHLLOKOSA-N 1 2 289.329 3.482 40 0 CGABLO Fc1cccc(C[N@H+]2CCCC[C@@H]2c2ccncn2)c1F ZINC000257277790 190025719 /nfs/dbraw/zinc/02/57/19/190025719.db2.gz NZJJBLROSBEJTN-OAHLLOKOSA-N 1 2 289.329 3.482 40 0 CGABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cn2)n1 ZINC000257286479 190026994 /nfs/dbraw/zinc/02/69/94/190026994.db2.gz PLSNBDREVMIBMO-OAHLLOKOSA-N 1 2 288.782 3.171 40 0 CGABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cn2)n1 ZINC000257286479 190026995 /nfs/dbraw/zinc/02/69/95/190026995.db2.gz PLSNBDREVMIBMO-OAHLLOKOSA-N 1 2 288.782 3.171 40 0 CGABLO CCC(=O)Nc1cc([NH+]2CCC(C)CC2)c(C)cc1N ZINC000216864989 376168622 /nfs/dbraw/zinc/16/86/22/376168622.db2.gz OVCGHHVVDOVCTK-UHFFFAOYSA-N 1 2 275.396 3.162 40 0 CGABLO CCCNc1[nH+]cc([C@@H](O)c2ccccc2)cc1C ZINC000072222176 256706841 /nfs/dbraw/zinc/70/68/41/256706841.db2.gz XDTRVLLPIMGKHW-HNNXBMFYSA-N 1 2 256.349 3.294 40 0 CGABLO c1ccc(COc2ccc(C3=[NH+]CCC3)cn2)cc1 ZINC000072212000 392197751 /nfs/dbraw/zinc/19/77/51/392197751.db2.gz BIVTZPCFVQCEEG-UHFFFAOYSA-N 1 2 252.317 3.244 40 0 CGABLO CC(=O)N1CCCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216077 392200674 /nfs/dbraw/zinc/20/06/74/392200674.db2.gz YEABBYAIGIZDPD-INIZCTEOSA-N 1 2 287.407 3.145 40 0 CGABLO Cc1cc(SC(C)(C)C)c[nH+]c1N1CCOCC1 ZINC000072222521 392201203 /nfs/dbraw/zinc/20/12/03/392201203.db2.gz YWHNPTMFBHBMOU-UHFFFAOYSA-N 1 2 266.410 3.117 40 0 CGABLO CCOC(=O)[C@H](CC)C1=[NH+]C(C)(C)Cc2ccccc21 ZINC000005007970 170054614 /nfs/dbraw/zinc/05/46/14/170054614.db2.gz WOMAQBUDWMNYNI-CYBMUJFWSA-N 1 2 273.376 3.400 40 0 CGABLO Cc1cc(N2CCC[C@H](C)C2)[nH+]c2c(N)cccc12 ZINC000685937910 544110333 /nfs/dbraw/zinc/11/03/33/544110333.db2.gz ALXYPIJNKCICQX-NSHDSACASA-N 1 2 255.365 3.362 40 0 CGABLO O=C(c1ccccc1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257341836 304562557 /nfs/dbraw/zinc/56/25/57/304562557.db2.gz ZMCZECOVSUAFOC-MRXNPFEDSA-N 1 2 291.354 3.312 40 0 CGABLO FC(F)(F)Oc1cc2[nH+]c[nH]c2cc1Br ZINC000258833781 572852624 /nfs/dbraw/zinc/85/26/24/572852624.db2.gz LWMCJBRMGIBULC-UHFFFAOYSA-N 1 2 281.031 3.224 40 0 CGABLO CC1(C)CN(c2cc(NC3CC3)[nH+]cn2)Cc2ccccc21 ZINC000329018788 136377661 /nfs/dbraw/zinc/37/76/61/136377661.db2.gz NSIQPUGOJZAVTR-UHFFFAOYSA-N 1 2 294.402 3.349 40 0 CGABLO CC1(C)CN(c2cc(NC3CC3)nc[nH+]2)Cc2ccccc21 ZINC000329018788 136377662 /nfs/dbraw/zinc/37/76/62/136377662.db2.gz NSIQPUGOJZAVTR-UHFFFAOYSA-N 1 2 294.402 3.349 40 0 CGABLO CSc1nc(Nc2cccc(Cl)c2)cc(N)[nH+]1 ZINC000049467370 369402868 /nfs/dbraw/zinc/40/28/68/369402868.db2.gz NEONLRDAHUZCFY-UHFFFAOYSA-N 1 2 266.757 3.178 40 0 CGABLO CSc1nc(N)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000049467370 369402870 /nfs/dbraw/zinc/40/28/70/369402870.db2.gz NEONLRDAHUZCFY-UHFFFAOYSA-N 1 2 266.757 3.178 40 0 CGABLO COc1ccc(-c2cc3[nH+]ccn3c(Cl)n2)cc1OC ZINC000095080358 370170774 /nfs/dbraw/zinc/17/07/74/370170774.db2.gz RTLZBGMPMJLEIK-UHFFFAOYSA-N 1 2 289.722 3.067 40 0 CGABLO Cc1nc([C@@H]2COCC[N@@H+]2CCc2ccccc2)cs1 ZINC000096220340 370208852 /nfs/dbraw/zinc/20/88/52/370208852.db2.gz BTTWWDWZMMZZBY-INIZCTEOSA-N 1 2 288.416 3.068 40 0 CGABLO Cc1nc([C@@H]2COCC[N@H+]2CCc2ccccc2)cs1 ZINC000096220340 370208857 /nfs/dbraw/zinc/20/88/57/370208857.db2.gz BTTWWDWZMMZZBY-INIZCTEOSA-N 1 2 288.416 3.068 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2sccc2C)[nH+]1 ZINC000257211812 190012093 /nfs/dbraw/zinc/01/20/93/190012093.db2.gz CAMVXTANZNSNPI-NSHDSACASA-N 1 2 275.377 3.065 40 0 CGABLO CC(C)(C)CC(=O)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257261565 190022543 /nfs/dbraw/zinc/02/25/43/190022543.db2.gz LHXATZQKSPCGBS-UHFFFAOYSA-N 1 2 299.418 3.477 40 0 CGABLO C[C@@H](CCc1ccccc1)NC(=S)Nc1cc[nH+]cc1 ZINC000225178810 376297587 /nfs/dbraw/zinc/29/75/87/376297587.db2.gz HNSTUCBQHFNAHV-ZDUSSCGKSA-N 1 2 285.416 3.389 40 0 CGABLO CC[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]nc1C(C)(C)C ZINC000019500990 391936065 /nfs/dbraw/zinc/93/60/65/391936065.db2.gz QUTGKFMHPBRYQH-CQSZACIVSA-N 1 2 286.423 3.476 40 0 CGABLO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]nc1C(C)(C)C ZINC000019500990 391936067 /nfs/dbraw/zinc/93/60/67/391936067.db2.gz QUTGKFMHPBRYQH-CQSZACIVSA-N 1 2 286.423 3.476 40 0 CGABLO O=CN1CCCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216674 392200020 /nfs/dbraw/zinc/20/00/20/392200020.db2.gz DVOHPWLBYDMKFM-INIZCTEOSA-N 1 2 287.407 3.145 40 0 CGABLO Cc1cc([C@H](C)O)c[nH+]c1N(C)Cc1ccccc1 ZINC000072222357 392201624 /nfs/dbraw/zinc/20/16/24/392201624.db2.gz IRWXRBGQHHVSCE-ZDUSSCGKSA-N 1 2 256.349 3.080 40 0 CGABLO Cc1cc(N2CCc3ccccc32)[nH+]cc1[C@@H](C)O ZINC000072223943 392202893 /nfs/dbraw/zinc/20/28/93/392202893.db2.gz JYSKSXRYSNUFHA-GFCCVEGCSA-N 1 2 254.333 3.138 40 0 CGABLO CCN(C)c1cc(C)c(C(=O)c2ccccc2)c[nH+]1 ZINC000072223233 392203359 /nfs/dbraw/zinc/20/33/59/392203359.db2.gz LUDXVEHEVKGDDL-UHFFFAOYSA-N 1 2 254.333 3.077 40 0 CGABLO CCC1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCCC1 ZINC000091211797 165259675 /nfs/dbraw/zinc/25/96/75/165259675.db2.gz SNMBCDXYHSLBOE-UHFFFAOYSA-N 1 2 297.402 3.459 40 0 CGABLO Cc1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000072366794 176381891 /nfs/dbraw/zinc/38/18/91/176381891.db2.gz WFHCQFCEZVGSIO-AWEZNQCLSA-N 1 2 277.318 3.333 40 0 CGABLO Cc1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000072366794 176381892 /nfs/dbraw/zinc/38/18/92/176381892.db2.gz WFHCQFCEZVGSIO-AWEZNQCLSA-N 1 2 277.318 3.333 40 0 CGABLO Cn1cc[nH+]c1CN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000072368030 176382184 /nfs/dbraw/zinc/38/21/84/176382184.db2.gz HAPZXDUWAYVFAW-OAHLLOKOSA-N 1 2 295.390 3.024 40 0 CGABLO CCNc1cc(N2Cc3ccccc3CC2(C)C)nc[nH+]1 ZINC000328986205 276271204 /nfs/dbraw/zinc/27/12/04/276271204.db2.gz HWWHWVDAQOIPSB-UHFFFAOYSA-N 1 2 282.391 3.250 40 0 CGABLO CCNc1cc(N2Cc3ccccc3CC2(C)C)[nH+]cn1 ZINC000328986205 276271205 /nfs/dbraw/zinc/27/12/05/276271205.db2.gz HWWHWVDAQOIPSB-UHFFFAOYSA-N 1 2 282.391 3.250 40 0 CGABLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N(C)C ZINC000040174300 276301776 /nfs/dbraw/zinc/30/17/76/276301776.db2.gz BAPSPPXZCVJJDH-UHFFFAOYSA-N 1 2 272.348 3.094 40 0 CGABLO CNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212513 290842159 /nfs/dbraw/zinc/84/21/59/290842159.db2.gz IPRPBLOLFQBFMT-MRXNPFEDSA-N 1 2 295.386 3.491 40 0 CGABLO CC[C@@H](C)Nc1nc(Nc2ccc(O)cc2)cc(C2CC2)[nH+]1 ZINC000328977099 202138203 /nfs/dbraw/zinc/13/82/03/202138203.db2.gz FRFRDJJCNPNDEB-LLVKDONJSA-N 1 2 298.390 3.436 40 0 CGABLO FC(F)(F)c1[nH]c2ccccc2c1C[NH+]1CCOCC1 ZINC000013992496 368672515 /nfs/dbraw/zinc/67/25/15/368672515.db2.gz WKIQJCFLJRIJEF-UHFFFAOYSA-N 1 2 284.281 3.019 40 0 CGABLO S=C(NCCSc1ccccc1)Nc1cc[nH+]cc1 ZINC000165476555 372552844 /nfs/dbraw/zinc/55/28/44/372552844.db2.gz OZKFQCFSHQSGLE-UHFFFAOYSA-N 1 2 289.429 3.160 40 0 CGABLO Fc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2c2ccncn2)c1 ZINC000257222790 190014808 /nfs/dbraw/zinc/01/48/08/190014808.db2.gz DURZIYNJXBXJHI-MRXNPFEDSA-N 1 2 289.329 3.482 40 0 CGABLO Fc1ccc(F)c(C[N@H+]2CCCC[C@@H]2c2ccncn2)c1 ZINC000257222790 190014809 /nfs/dbraw/zinc/01/48/09/190014809.db2.gz DURZIYNJXBXJHI-MRXNPFEDSA-N 1 2 289.329 3.482 40 0 CGABLO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cc1F ZINC000257245361 190019608 /nfs/dbraw/zinc/01/96/08/190019608.db2.gz IPDDWJNKBDYYDY-INIZCTEOSA-N 1 2 289.329 3.482 40 0 CGABLO Fc1ccc(C[N@H+]2CCCC[C@H]2c2ccncn2)cc1F ZINC000257245361 190019609 /nfs/dbraw/zinc/01/96/09/190019609.db2.gz IPDDWJNKBDYYDY-INIZCTEOSA-N 1 2 289.329 3.482 40 0 CGABLO CCc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257274580 190024698 /nfs/dbraw/zinc/02/46/98/190024698.db2.gz NLRAEKAUALLAQV-MRXNPFEDSA-N 1 2 297.402 3.300 40 0 CGABLO Cc1ccnc([C@@]2(C)CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257318961 190033741 /nfs/dbraw/zinc/03/37/41/190033741.db2.gz VQCCMLGADMJNSO-QGZVFWFLSA-N 1 2 285.366 3.435 40 0 CGABLO Cc1ccnc([C@@]2(C)CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257318961 190033742 /nfs/dbraw/zinc/03/37/42/190033742.db2.gz VQCCMLGADMJNSO-QGZVFWFLSA-N 1 2 285.366 3.435 40 0 CGABLO CCCn1ccnc1C[N@@H+]1CCC[C@H](Cc2ccccn2)C1 ZINC000257324313 190034139 /nfs/dbraw/zinc/03/41/39/190034139.db2.gz WOCUSAGYXKFXKI-MRXNPFEDSA-N 1 2 298.434 3.143 40 0 CGABLO CCCn1ccnc1C[N@H+]1CCC[C@H](Cc2ccccn2)C1 ZINC000257324313 190034140 /nfs/dbraw/zinc/03/41/40/190034140.db2.gz WOCUSAGYXKFXKI-MRXNPFEDSA-N 1 2 298.434 3.143 40 0 CGABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1NC(C)C ZINC000072221968 392202001 /nfs/dbraw/zinc/20/20/01/392202001.db2.gz KNUQATUWRNENFQ-OAHLLOKOSA-N 1 2 256.349 3.292 40 0 CGABLO Cc1[nH+]c(N2CCCc3ccccc32)ccc1CCO ZINC000072224973 392204391 /nfs/dbraw/zinc/20/43/91/392204391.db2.gz VZONXSSDEDJWPH-UHFFFAOYSA-N 1 2 268.360 3.009 40 0 CGABLO Cc1ccc2cc(C)c(NCCNC(=O)C(C)C)[nH+]c2c1 ZINC000004886155 170036312 /nfs/dbraw/zinc/03/63/12/170036312.db2.gz BBJRZSFVAKITQT-UHFFFAOYSA-N 1 2 285.391 3.036 40 0 CGABLO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000072366796 176381606 /nfs/dbraw/zinc/38/16/06/176381606.db2.gz PZIQHFBEHBPNIF-CQSZACIVSA-N 1 2 263.291 3.025 40 0 CGABLO Fc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000072366796 176381608 /nfs/dbraw/zinc/38/16/08/176381608.db2.gz PZIQHFBEHBPNIF-CQSZACIVSA-N 1 2 263.291 3.025 40 0 CGABLO Cn1cc(C[N@H+](Cc2cccs2)Cc2cccnc2)cn1 ZINC000072398312 176396354 /nfs/dbraw/zinc/39/63/54/176396354.db2.gz XYAVXHCZWZJOMA-UHFFFAOYSA-N 1 2 298.415 3.079 40 0 CGABLO Cn1cc(C[N@@H+](Cc2cccs2)Cc2cccnc2)cn1 ZINC000072398312 176396355 /nfs/dbraw/zinc/39/63/55/176396355.db2.gz XYAVXHCZWZJOMA-UHFFFAOYSA-N 1 2 298.415 3.079 40 0 CGABLO Cc1csc2ncnc(N[C@H]3C[C@H](C)n4cc[nH+]c43)c12 ZINC000334025450 279050959 /nfs/dbraw/zinc/05/09/59/279050959.db2.gz GTKQFTNEUBBGBI-UWVGGRQHSA-N 1 2 285.376 3.314 40 0 CGABLO Cc1[nH+]c(N2CCCC2)ccc1C(=O)c1ccccc1 ZINC000072224516 281922818 /nfs/dbraw/zinc/92/28/18/281922818.db2.gz DHKWOTJIBFKMPQ-UHFFFAOYSA-N 1 2 266.344 3.221 40 0 CGABLO Cc1ccc(-c2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1 ZINC000095534026 185006775 /nfs/dbraw/zinc/00/67/75/185006775.db2.gz QKPXKNIWLGWKPT-CQSZACIVSA-N 1 2 298.777 3.482 40 0 CGABLO Cc1ccc(-c2n[nH]c([C@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095534026 185006776 /nfs/dbraw/zinc/00/67/76/185006776.db2.gz QKPXKNIWLGWKPT-CQSZACIVSA-N 1 2 298.777 3.482 40 0 CGABLO CNc1nc(Nc2ccc(C)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329033718 202162609 /nfs/dbraw/zinc/16/26/09/202162609.db2.gz QVBQBWSYVRTSNZ-UHFFFAOYSA-N 1 2 291.358 3.054 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1scnc1C ZINC000257253145 190020692 /nfs/dbraw/zinc/02/06/92/190020692.db2.gz JXSVUVUCAFQNSB-GFCCVEGCSA-N 1 2 276.409 3.210 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1scnc1C ZINC000257253145 190020693 /nfs/dbraw/zinc/02/06/93/190020693.db2.gz JXSVUVUCAFQNSB-GFCCVEGCSA-N 1 2 276.409 3.210 40 0 CGABLO CCOC(=O)c1c[nH+]c2cc(Cl)c(OC)cc2c1NC ZINC000064874618 392143120 /nfs/dbraw/zinc/14/31/20/392143120.db2.gz BVFSODFLEVXKLD-UHFFFAOYSA-N 1 2 294.738 3.115 40 0 CGABLO CNc1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072212544 392197031 /nfs/dbraw/zinc/19/70/31/392197031.db2.gz ONQLJECYWZSJLS-OAHLLOKOSA-N 1 2 281.359 3.101 40 0 CGABLO Cc1cccc(NC(=O)C[NH+]2Cc3ccccc3C2)c1C ZINC000106303763 392299850 /nfs/dbraw/zinc/29/98/50/392299850.db2.gz HBNHUDSGKXSDQJ-UHFFFAOYSA-N 1 2 280.371 3.258 40 0 CGABLO CCOC(=O)c1c[nH+]c2c(CC)cccc2c1N(C)C ZINC000064874795 276446224 /nfs/dbraw/zinc/44/62/24/276446224.db2.gz MGZNAOMEGLBQIT-UHFFFAOYSA-N 1 2 272.348 3.040 40 0 CGABLO CC(=O)Nc1cc([N@H+]2[C@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216864184 278185696 /nfs/dbraw/zinc/18/56/96/278185696.db2.gz XIVHQCCLBJLUJD-TXEJJXNPSA-N 1 2 275.396 3.303 40 0 CGABLO CC(=O)Nc1cc([N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000216864184 278185698 /nfs/dbraw/zinc/18/56/98/278185698.db2.gz XIVHQCCLBJLUJD-TXEJJXNPSA-N 1 2 275.396 3.303 40 0 CGABLO FC(F)(F)c1cnc(-n2cc[nH+]c2)c(Br)c1 ZINC000095096673 279445425 /nfs/dbraw/zinc/44/54/25/279445425.db2.gz OCMNKOFRHLWVLV-UHFFFAOYSA-N 1 2 292.058 3.049 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000205687421 346283153 /nfs/dbraw/zinc/28/31/53/346283153.db2.gz FWMVHDYBHYRDJX-JTQLQIEISA-N 1 2 261.291 3.198 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000205687421 346283155 /nfs/dbraw/zinc/28/31/55/346283155.db2.gz FWMVHDYBHYRDJX-JTQLQIEISA-N 1 2 261.291 3.198 40 0 CGABLO [NH2+]=c1cc(C2(O)CCCCC2)n2c3ccccc3nc2s1 ZINC000003848278 283273757 /nfs/dbraw/zinc/27/37/57/283273757.db2.gz FISPPCSHWOOUOA-UHFFFAOYSA-N 1 2 299.399 3.180 40 0 CGABLO Cn1c(Nc2[nH+]c3ccccc3n2C)nc2ccccc21 ZINC000028874303 368890336 /nfs/dbraw/zinc/89/03/36/368890336.db2.gz ZLDVLUYTLTZQHO-UHFFFAOYSA-N 1 2 277.331 3.204 40 0 CGABLO COc1ccc(-c2[nH]c3cc(C)c(C)cc3[nH+]2)cc1N ZINC000057797471 369546159 /nfs/dbraw/zinc/54/61/59/369546159.db2.gz XVTBNXYXXYYOTG-UHFFFAOYSA-N 1 2 267.332 3.438 40 0 CGABLO OCC[C@H](Nc1cc[nH+]c2ccncc12)C1CCCCC1 ZINC000085687132 541937634 /nfs/dbraw/zinc/93/76/34/541937634.db2.gz UFSFKIMJLREETG-HNNXBMFYSA-N 1 2 285.391 3.373 40 0 CGABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)n1 ZINC000257213902 190012833 /nfs/dbraw/zinc/01/28/33/190012833.db2.gz CJPODMBYATVBPD-INIZCTEOSA-N 1 2 289.329 3.400 40 0 CGABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2F)n1 ZINC000257213902 190012834 /nfs/dbraw/zinc/01/28/34/190012834.db2.gz CJPODMBYATVBPD-INIZCTEOSA-N 1 2 289.329 3.400 40 0 CGABLO c1cn2c(n1)C[N@@H+](C1CCCC1)[C@@H](c1ccccc1)C2 ZINC000257255796 377796799 /nfs/dbraw/zinc/79/67/99/377796799.db2.gz KIWRCVCTTKZSPX-MRXNPFEDSA-N 1 2 267.376 3.383 40 0 CGABLO c1cn2c(n1)C[N@H+](C1CCCC1)[C@@H](c1ccccc1)C2 ZINC000257255796 377796801 /nfs/dbraw/zinc/79/68/01/377796801.db2.gz KIWRCVCTTKZSPX-MRXNPFEDSA-N 1 2 267.376 3.383 40 0 CGABLO Cc1[nH+]c2cc(NC(=O)N3CCCCCC3)ccc2n1C ZINC000409123910 380028551 /nfs/dbraw/zinc/02/85/51/380028551.db2.gz JAAAWENNLLLZQT-UHFFFAOYSA-N 1 2 286.379 3.290 40 0 CGABLO CCCn1cc(C[NH2+]Cc2csc(C3CCC3)n2)cn1 ZINC000095093912 392242961 /nfs/dbraw/zinc/24/29/61/392242961.db2.gz QDKFCRSQWXVNKR-UHFFFAOYSA-N 1 2 290.436 3.307 40 0 CGABLO Cc1cc([C@H](C)O)c[nH+]c1N1CCc2ccccc2C1 ZINC000072222846 392201290 /nfs/dbraw/zinc/20/12/90/392201290.db2.gz SSPZAGQARGXPAK-ZDUSSCGKSA-N 1 2 268.360 3.006 40 0 CGABLO CCCNc1ccc(C(=O)c2ccccc2)c(C)[nH+]1 ZINC000072224249 392202747 /nfs/dbraw/zinc/20/27/47/392202747.db2.gz GGRXTLQGFDEKBT-UHFFFAOYSA-N 1 2 254.333 3.443 40 0 CGABLO Cc1cc(N2CCOCC2)[nH+]cc1SC(C)(C)C ZINC000072223563 392203391 /nfs/dbraw/zinc/20/33/91/392203391.db2.gz DUCWDLLOJWLHHO-UHFFFAOYSA-N 1 2 266.410 3.117 40 0 CGABLO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000082046611 275825465 /nfs/dbraw/zinc/82/54/65/275825465.db2.gz CUYSHPOIPCNCLY-ZDUSSCGKSA-N 1 2 296.798 3.221 40 0 CGABLO CN(C)c1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072212653 289440301 /nfs/dbraw/zinc/44/03/01/289440301.db2.gz LBBZMXRVXZKGFX-CYBMUJFWSA-N 1 2 291.395 3.220 40 0 CGABLO CCOC(=O)c1c[nH+]c2ccc(CC)cc2c1NC ZINC000050843131 521576419 /nfs/dbraw/zinc/57/64/19/521576419.db2.gz ZXMLRBAAFHASAE-UHFFFAOYSA-N 1 2 258.321 3.016 40 0 CGABLO COC(=O)[C@@](C)(c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000085395482 179049212 /nfs/dbraw/zinc/04/92/12/179049212.db2.gz OQRVDIPXHPAKJI-GOSISDBHSA-N 1 2 283.371 3.207 40 0 CGABLO COC(=O)[C@@](C)(c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000085395482 179049214 /nfs/dbraw/zinc/04/92/14/179049214.db2.gz OQRVDIPXHPAKJI-GOSISDBHSA-N 1 2 283.371 3.207 40 0 CGABLO Clc1ccc2c(c1)N[C@@H](c1ccco1)N1CC[NH+]=C21 ZINC000072342078 282518302 /nfs/dbraw/zinc/51/83/02/282518302.db2.gz BWNDTPAPLVXQTO-CQSZACIVSA-N 1 2 273.723 3.120 40 0 CGABLO CC[C@@H](C)Nc1nc(Nc2ccccc2C)cc(C2CC2)[nH+]1 ZINC000328970701 202134715 /nfs/dbraw/zinc/13/47/15/202134715.db2.gz DLGPUWYCGOEGIE-CYBMUJFWSA-N 1 2 296.418 3.460 40 0 CGABLO Nc1ccc2[nH]c(COc3ccc(Cl)cc3)[nH+]c2c1 ZINC000004937181 368560040 /nfs/dbraw/zinc/56/00/40/368560040.db2.gz VRDYGESLQMHKNK-UHFFFAOYSA-N 1 2 273.723 3.378 40 0 CGABLO S=C(NCCCOC1CCCCC1)Nc1cc[nH+]cc1 ZINC000225618836 189760290 /nfs/dbraw/zinc/76/02/90/189760290.db2.gz XFDQSLGXJLRHTH-UHFFFAOYSA-N 1 2 293.436 3.107 40 0 CGABLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccccc1 ZINC000055087964 369510701 /nfs/dbraw/zinc/51/07/01/369510701.db2.gz QPRURTHSYAFMAD-UHFFFAOYSA-N 1 2 292.342 3.194 40 0 CGABLO C[N@@H+]1CCCC[C@@H]1c1ccc(Br)nc1 ZINC000072211567 369815874 /nfs/dbraw/zinc/81/58/74/369815874.db2.gz WMEOVQRIETVYST-SNVBAGLBSA-N 1 2 255.159 3.001 40 0 CGABLO C[N@H+]1CCCC[C@@H]1c1ccc(Br)nc1 ZINC000072211567 369815878 /nfs/dbraw/zinc/81/58/78/369815878.db2.gz WMEOVQRIETVYST-SNVBAGLBSA-N 1 2 255.159 3.001 40 0 CGABLO Brc1ccc([C@@H]2C[C@H]2Cn2cc[nH+]c2)cc1 ZINC000575424180 377907734 /nfs/dbraw/zinc/90/77/34/377907734.db2.gz WSAZLJIKLPGIQB-AAEUAGOBSA-N 1 2 277.165 3.449 40 0 CGABLO CC(=O)N1CCCC[C@@H]1c1ccc(NCC(C)C)[nH+]c1 ZINC000072213349 392199144 /nfs/dbraw/zinc/19/91/44/392199144.db2.gz VHYCFCGQMCTYGX-OAHLLOKOSA-N 1 2 275.396 3.223 40 0 CGABLO O=CN1CCCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216675 392199966 /nfs/dbraw/zinc/19/99/66/392199966.db2.gz DVOHPWLBYDMKFM-MRXNPFEDSA-N 1 2 287.407 3.145 40 0 CGABLO CCCN(CCC)c1[nH+]cc([C@@H](O)CC)cc1C ZINC000072222251 392201878 /nfs/dbraw/zinc/20/18/78/392201878.db2.gz OPAKWCCZPJJLDF-AWEZNQCLSA-N 1 2 250.386 3.460 40 0 CGABLO Cc1cccc(OCCCn2c[nH+]cc2-c2cnn(C)c2)c1 ZINC000019719493 170842640 /nfs/dbraw/zinc/84/26/40/170842640.db2.gz ATTCAOPPBUEBJU-UHFFFAOYSA-N 1 2 296.374 3.061 40 0 CGABLO C=Cn1cc(C[N@@H+]2CCn3cccc3[C@H]2CC)c(C)n1 ZINC000072397951 176395414 /nfs/dbraw/zinc/39/54/14/176395414.db2.gz OPOUYDMNRSTINT-OAHLLOKOSA-N 1 2 270.380 3.060 40 0 CGABLO C=Cn1cc(C[N@H+]2CCn3cccc3[C@H]2CC)c(C)n1 ZINC000072397951 176395415 /nfs/dbraw/zinc/39/54/15/176395415.db2.gz OPOUYDMNRSTINT-OAHLLOKOSA-N 1 2 270.380 3.060 40 0 CGABLO CC(=O)N1CCC[C@H]1c1c[nH+]c(N2CCCCC2)c(C)c1 ZINC000072219153 278030868 /nfs/dbraw/zinc/03/08/68/278030868.db2.gz HMRGLXUTXFYQLK-INIZCTEOSA-N 1 2 287.407 3.064 40 0 CGABLO Cc1csc2ncnc(N[C@@H]3C[C@H](C)n4cc[nH+]c43)c12 ZINC000334025451 293082849 /nfs/dbraw/zinc/08/28/49/293082849.db2.gz GTKQFTNEUBBGBI-VHSXEESVSA-N 1 2 285.376 3.314 40 0 CGABLO S=C(Nc1cc[nH+]cc1)NC1(C2CC2)CCCC1 ZINC000225874614 304849190 /nfs/dbraw/zinc/84/91/90/304849190.db2.gz WNKWEPVLNMOMBC-UHFFFAOYSA-N 1 2 261.394 3.091 40 0 CGABLO CC[C@@H](C)Nc1cc(N2CCc3ccccc3C2)nc[nH+]1 ZINC000243669333 522233279 /nfs/dbraw/zinc/23/32/79/522233279.db2.gz PDAPWBYXWRSTFA-CYBMUJFWSA-N 1 2 282.391 3.250 40 0 CGABLO CC[C@@H](C)Nc1cc(N2CCc3ccccc3C2)[nH+]cn1 ZINC000243669333 522233290 /nfs/dbraw/zinc/23/32/90/522233290.db2.gz PDAPWBYXWRSTFA-CYBMUJFWSA-N 1 2 282.391 3.250 40 0 CGABLO Cc1cccc(-c2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)c1 ZINC000095534028 185006812 /nfs/dbraw/zinc/00/68/12/185006812.db2.gz VTIPPSSTBGRMPB-CQSZACIVSA-N 1 2 298.777 3.482 40 0 CGABLO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000095534836 185008104 /nfs/dbraw/zinc/00/81/04/185008104.db2.gz YBUHDJRXVFHOMT-AWEZNQCLSA-N 1 2 298.777 3.368 40 0 CGABLO CC(C)CC(=O)Nc1cc(N)ccc1[NH+]1CCCCC1 ZINC000226253648 136386762 /nfs/dbraw/zinc/38/67/62/136386762.db2.gz NGAVYBWWUJXSBI-UHFFFAOYSA-N 1 2 275.396 3.244 40 0 CGABLO CCNc1nc(Nc2ccc(F)cc2C)cc(C2CC2)[nH+]1 ZINC000328996705 202144062 /nfs/dbraw/zinc/14/40/62/202144062.db2.gz JLZVYSFPFSJHOS-UHFFFAOYSA-N 1 2 286.354 3.399 40 0 CGABLO CNc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329024332 202156420 /nfs/dbraw/zinc/15/64/20/202156420.db2.gz OZEOEHIYJGTVRM-UHFFFAOYSA-N 1 2 274.755 3.215 40 0 CGABLO Nc1ccc(-c2[nH]c3c(cc(N)cc3Cl)[nH+]2)cc1 ZINC000000262132 368326739 /nfs/dbraw/zinc/32/67/39/368326739.db2.gz NZRATORTMDZJPL-UHFFFAOYSA-N 1 2 258.712 3.048 40 0 CGABLO CC(C)N(c1ccc([C@@H]2CCCCN2C=O)c[nH+]1)C(C)C ZINC000072212988 369816190 /nfs/dbraw/zinc/81/61/90/369816190.db2.gz NPIGHPNQCOYJQT-INIZCTEOSA-N 1 2 289.423 3.388 40 0 CGABLO CCCCc1[nH]c(CN2CCCC[C@@H]2c2cc[nH]n2)c[nH+]1 ZINC000257249161 190020252 /nfs/dbraw/zinc/02/02/52/190020252.db2.gz JHAPDZKXWXAZGG-OAHLLOKOSA-N 1 2 287.411 3.203 40 0 CGABLO CCCCc1[nH]cc(CN2CCCC[C@@H]2c2cc[nH]n2)[nH+]1 ZINC000257249161 190020253 /nfs/dbraw/zinc/02/02/53/190020253.db2.gz JHAPDZKXWXAZGG-OAHLLOKOSA-N 1 2 287.411 3.203 40 0 CGABLO c1cn2c([nH+]1)CN(Cc1cscn1)[C@@H](c1ccccc1)C2 ZINC000257315902 377796744 /nfs/dbraw/zinc/79/67/44/377796744.db2.gz VDEUKROEIWGAGY-OAHLLOKOSA-N 1 2 296.399 3.097 40 0 CGABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1NC(C)C ZINC000072221969 256705798 /nfs/dbraw/zinc/70/57/98/256705798.db2.gz KNUQATUWRNENFQ-HNNXBMFYSA-N 1 2 256.349 3.292 40 0 CGABLO CC[C@H](C)Nc1ccc([C@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072213568 392199199 /nfs/dbraw/zinc/19/91/99/392199199.db2.gz QCDTUISFIHXEFQ-SWLSCSKDSA-N 1 2 275.396 3.366 40 0 CGABLO CC(=O)N1CCC[C@H](c2[nH+]c(C)n3c(C)c(C)sc23)C1 ZINC000072368099 176383280 /nfs/dbraw/zinc/38/32/80/176383280.db2.gz TZPFHDQGCOUHAK-ZDUSSCGKSA-N 1 2 291.420 3.047 40 0 CGABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[NH+]1CCCC1 ZINC000216865786 262341080 /nfs/dbraw/zinc/34/10/80/262341080.db2.gz AEOXHMKEJBUQAK-UHFFFAOYSA-N 1 2 295.386 3.430 40 0 CGABLO c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329027739 202159871 /nfs/dbraw/zinc/15/98/71/202159871.db2.gz PSXZJDXZHITYGV-UHFFFAOYSA-N 1 2 294.402 3.296 40 0 CGABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329025345 202158276 /nfs/dbraw/zinc/15/82/76/202158276.db2.gz PGFQOYWTIQKTBF-UHFFFAOYSA-N 1 2 296.418 3.379 40 0 CGABLO CCCCc1[nH]c(CN2CCC[C@@H]2c2cncc(C)n2)c[nH+]1 ZINC000257325631 190034449 /nfs/dbraw/zinc/03/44/49/190034449.db2.gz WTTJRQUHTRUSAC-MRXNPFEDSA-N 1 2 299.422 3.188 40 0 CGABLO CCCCc1[nH]cc(CN2CCC[C@@H]2c2cncc(C)n2)[nH+]1 ZINC000257325631 190034450 /nfs/dbraw/zinc/03/44/50/190034450.db2.gz WTTJRQUHTRUSAC-MRXNPFEDSA-N 1 2 299.422 3.188 40 0 CGABLO Cc1[nH+]c2cc(NC(=O)N3CCC(C)CC3)ccc2n1C ZINC000409128792 380027633 /nfs/dbraw/zinc/02/76/33/380027633.db2.gz UIMZBZBOWNVLLM-UHFFFAOYSA-N 1 2 286.379 3.146 40 0 CGABLO CC[C@@H](O)c1ccc(N(C)Cc2ccccc2)[nH+]c1 ZINC000072225370 256704357 /nfs/dbraw/zinc/70/43/57/256704357.db2.gz OHMGCSRZEYXWTF-OAHLLOKOSA-N 1 2 256.349 3.161 40 0 CGABLO CCc1cn(-c2ccc(Br)cc2)c[nH+]1 ZINC000199733333 392979526 /nfs/dbraw/zinc/97/95/26/392979526.db2.gz KMJSARFTVXUXEI-UHFFFAOYSA-N 1 2 251.127 3.197 40 0 CGABLO Clc1cccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000072366791 176382010 /nfs/dbraw/zinc/38/20/10/176382010.db2.gz COQOVILCRIWEIC-AWEZNQCLSA-N 1 2 261.756 3.400 40 0 CGABLO Clc1cccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000072366791 176382011 /nfs/dbraw/zinc/38/20/11/176382011.db2.gz COQOVILCRIWEIC-AWEZNQCLSA-N 1 2 261.756 3.400 40 0 CGABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000106303779 534558363 /nfs/dbraw/zinc/55/83/63/534558363.db2.gz MQTJLGREMBBGPE-UHFFFAOYSA-N 1 2 286.762 3.294 40 0 CGABLO CC(C)Nc1nc(Nc2ccc(O)cc2)cc(C2CC2)[nH+]1 ZINC000329002348 202146153 /nfs/dbraw/zinc/14/61/53/202146153.db2.gz KHQOUCXTMUGTHS-UHFFFAOYSA-N 1 2 284.363 3.045 40 0 CGABLO CCc1[nH+]cc(CO)n1Cc1cccc2ccccc21 ZINC000001560533 368418035 /nfs/dbraw/zinc/41/80/35/368418035.db2.gz IECRHZFXYLMNLU-UHFFFAOYSA-N 1 2 266.344 3.139 40 0 in-vitro CGABLO COC(=O)[C@](C)(c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000085395493 370017714 /nfs/dbraw/zinc/01/77/14/370017714.db2.gz JQUMNNGATPHJLE-IBGZPJMESA-N 1 2 295.382 3.133 40 0 CGABLO COC(=O)[C@](C)(c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000085395493 370017719 /nfs/dbraw/zinc/01/77/19/370017719.db2.gz JQUMNNGATPHJLE-IBGZPJMESA-N 1 2 295.382 3.133 40 0 CGABLO c1cc(-c2cnc3n2CC[N@@H+](Cc2ccncc2)C3)cs1 ZINC000306127150 374126635 /nfs/dbraw/zinc/12/66/35/374126635.db2.gz FPQRRCSOYMOKRN-UHFFFAOYSA-N 1 2 296.399 3.022 40 0 CGABLO c1cc(-c2cnc3n2CC[N@H+](Cc2ccncc2)C3)cs1 ZINC000306127150 374126641 /nfs/dbraw/zinc/12/66/41/374126641.db2.gz FPQRRCSOYMOKRN-UHFFFAOYSA-N 1 2 296.399 3.022 40 0 CGABLO CCOC(=O)C1=C(C)/C(=C\C=C2C=C[NH+](C)C=C2)C(C)=N1 ZINC000334139377 206046174 /nfs/dbraw/zinc/04/61/74/206046174.db2.gz DERQINVFHSDOAH-VIZOYTHASA-N 1 2 284.359 3.124 40 0 CGABLO CCNc1nc(Nc2ccc(F)c(C)c2)cc(C2CC2)[nH+]1 ZINC000329067683 374399863 /nfs/dbraw/zinc/39/98/63/374399863.db2.gz YKDDRPQZDJRCIR-UHFFFAOYSA-N 1 2 286.354 3.399 40 0 CGABLO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000257200707 190010949 /nfs/dbraw/zinc/01/09/49/190010949.db2.gz AEOUWERWRWRKFM-HNNXBMFYSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1ccc(C)nc1 ZINC000257200707 190010950 /nfs/dbraw/zinc/01/09/50/190010950.db2.gz AEOUWERWRWRKFM-HNNXBMFYSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1ccc(C)nc1 ZINC000257200707 190010951 /nfs/dbraw/zinc/01/09/51/190010951.db2.gz AEOUWERWRWRKFM-HNNXBMFYSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1ccc(C)nc1 ZINC000257200707 190010952 /nfs/dbraw/zinc/01/09/52/190010952.db2.gz AEOUWERWRWRKFM-HNNXBMFYSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1c[nH]nc1[C@@H]1CCCCN1Cc1[nH+]ccn1C(C)C ZINC000257211223 190012318 /nfs/dbraw/zinc/01/23/18/190012318.db2.gz BXZPVHUYFMHKBX-AWEZNQCLSA-N 1 2 287.411 3.223 40 0 CGABLO Cc1cnc(C2(C)CC[NH+](Cc3cn[nH]c3C)CC2)s1 ZINC000257296189 190028216 /nfs/dbraw/zinc/02/82/16/190028216.db2.gz RBPVHZXQHCKNRO-UHFFFAOYSA-N 1 2 290.436 3.037 40 0 CGABLO CCCn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccnc(NC)c1 ZINC000257319775 190033466 /nfs/dbraw/zinc/03/34/66/190033466.db2.gz VTZPYOKMXWEXNN-OAHLLOKOSA-N 1 2 299.422 3.067 40 0 CGABLO CCCn1ccnc1C[N@H+]1CCC[C@@H]1c1ccnc(NC)c1 ZINC000257319775 190033467 /nfs/dbraw/zinc/03/34/67/190033467.db2.gz VTZPYOKMXWEXNN-OAHLLOKOSA-N 1 2 299.422 3.067 40 0 CGABLO Cc1cnc(-c2cccc(CC3CC[NH+](C)CC3)n2)s1 ZINC000257325634 190034222 /nfs/dbraw/zinc/03/42/22/190034222.db2.gz WTTLWLSMFOGYRC-UHFFFAOYSA-N 1 2 287.432 3.398 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)[nH+]1 ZINC000257329132 190034790 /nfs/dbraw/zinc/03/47/90/190034790.db2.gz XIQDAFWEZWSCIT-OAHLLOKOSA-N 1 2 295.386 3.113 40 0 CGABLO COc1ccc([C@@H](C)NC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225467373 376311178 /nfs/dbraw/zinc/31/11/78/376311178.db2.gz BXGFAEVTQTWCTF-LLVKDONJSA-N 1 2 287.388 3.138 40 0 CGABLO Cc1cc(NC2CC2)[nH+]cc1C(=O)c1ccccc1 ZINC000072223809 392202856 /nfs/dbraw/zinc/20/28/56/392202856.db2.gz CQOLOHPZPQHBEB-UHFFFAOYSA-N 1 2 252.317 3.195 40 0 CGABLO CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)CCn1cc[nH+]c1)C2 ZINC000005248459 170079349 /nfs/dbraw/zinc/07/93/49/170079349.db2.gz QFWXBUAPGJYQDM-HEHGZKQESA-N 1 2 276.380 3.031 40 0 CGABLO C[C@@H]1CN(Nc2ccccc2)C(c2ccccc2)=[NH+]1 ZINC000006183194 170181252 /nfs/dbraw/zinc/18/12/52/170181252.db2.gz HMTJXLZLCBXZHT-CYBMUJFWSA-N 1 2 251.333 3.164 40 0 CGABLO CCC(=O)Nc1cc([N@@H+]2CCCC[C@@H]2C)c(C)cc1N ZINC000216864666 262341299 /nfs/dbraw/zinc/34/12/99/262341299.db2.gz YYPPJFXNHJPLGZ-LBPRGKRZSA-N 1 2 275.396 3.305 40 0 CGABLO CCC(=O)Nc1cc([N@H+]2CCCC[C@@H]2C)c(C)cc1N ZINC000216864666 262341301 /nfs/dbraw/zinc/34/13/01/262341301.db2.gz YYPPJFXNHJPLGZ-LBPRGKRZSA-N 1 2 275.396 3.305 40 0 CGABLO CC(C)[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000095534766 185008214 /nfs/dbraw/zinc/00/82/14/185008214.db2.gz KIQQCJTWTBCHEG-JTQLQIEISA-N 1 2 284.285 3.146 40 0 CGABLO CNc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329038652 202165293 /nfs/dbraw/zinc/16/52/93/202165293.db2.gz RTXBXJXMLOVGDE-UHFFFAOYSA-N 1 2 294.333 3.490 40 0 CGABLO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CCn1cc[nH+]c1)C2 ZINC000000544197 368385368 /nfs/dbraw/zinc/38/53/68/368385368.db2.gz QFWXBUAPGJYQDM-WOSRLPQWSA-N 1 2 276.380 3.031 40 0 CGABLO COc1cc2c(cc1OC)C(/C=C/c1ccco1)=[NH+]CC2 ZINC000001698847 368433235 /nfs/dbraw/zinc/43/32/35/368433235.db2.gz UMERQCUYCCZPMA-AATRIKPKSA-N 1 2 283.327 3.355 40 0 CGABLO O=C(CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000002563858 368464722 /nfs/dbraw/zinc/46/47/22/368464722.db2.gz JYNSQBPZCFNNGF-UHFFFAOYSA-N 1 2 293.164 3.309 40 0 CGABLO c1csc(C[N@@H+]2CCc3nc4ccncc4cc3C2)c1 ZINC000019343651 368748643 /nfs/dbraw/zinc/74/86/43/368748643.db2.gz SKXZWZUQPFRFMR-UHFFFAOYSA-N 1 2 281.384 3.250 40 0 CGABLO c1csc(C[N@H+]2CCc3nc4ccncc4cc3C2)c1 ZINC000019343651 368748648 /nfs/dbraw/zinc/74/86/48/368748648.db2.gz SKXZWZUQPFRFMR-UHFFFAOYSA-N 1 2 281.384 3.250 40 0 CGABLO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)o3)[C@H](C)C2)o1 ZINC000019364847 368750032 /nfs/dbraw/zinc/75/00/32/368750032.db2.gz UGHIIVPRFLCBLZ-CYBMUJFWSA-N 1 2 288.391 3.196 40 0 in-vitro CGABLO Cc1ccc(CN2CC[N@@H+](Cc3ccc(C)o3)[C@H](C)C2)o1 ZINC000019364847 368750040 /nfs/dbraw/zinc/75/00/40/368750040.db2.gz UGHIIVPRFLCBLZ-CYBMUJFWSA-N 1 2 288.391 3.196 40 0 in-vitro CGABLO CCSc1nc(Nc2ccc(C)cc2)cc(N)[nH+]1 ZINC000049467466 369402912 /nfs/dbraw/zinc/40/29/12/369402912.db2.gz OAJQNEFULCDTLA-UHFFFAOYSA-N 1 2 260.366 3.223 40 0 CGABLO CCSc1nc(N)cc(Nc2ccc(C)cc2)[nH+]1 ZINC000049467466 369402917 /nfs/dbraw/zinc/40/29/17/369402917.db2.gz OAJQNEFULCDTLA-UHFFFAOYSA-N 1 2 260.366 3.223 40 0 CGABLO Cc1c[nH]c([C@@H]2CCCN2c2ccc(C(F)(F)F)cn2)[nH+]1 ZINC000257202878 291618818 /nfs/dbraw/zinc/61/88/18/291618818.db2.gz ANUJPTXIIKVKDV-NSHDSACASA-N 1 2 296.296 3.473 40 0 CGABLO Cc1ccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)nc1 ZINC000257292867 190027786 /nfs/dbraw/zinc/02/77/86/190027786.db2.gz QNGLJOHVHFQFSD-OAHLLOKOSA-N 1 2 274.389 3.025 40 0 CGABLO Cc1ccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)nc1 ZINC000257292867 190027787 /nfs/dbraw/zinc/02/77/87/190027787.db2.gz QNGLJOHVHFQFSD-OAHLLOKOSA-N 1 2 274.389 3.025 40 0 CGABLO CC[NH+](CC)c1ccc(N)cc1C(=O)N1CCCC[C@@H]1C ZINC000226323695 376352118 /nfs/dbraw/zinc/35/21/18/376352118.db2.gz UPFDXULHYYDEBX-ZDUSSCGKSA-N 1 2 289.423 3.130 40 0 CGABLO c1cn2c([nH+]1)CN(Cc1cncs1)[C@H](c1ccccc1)C2 ZINC000257339826 377795857 /nfs/dbraw/zinc/79/58/57/377795857.db2.gz ZDJLAYKSSHXTCU-HNNXBMFYSA-N 1 2 296.399 3.097 40 0 CGABLO Fc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC000257285101 377796752 /nfs/dbraw/zinc/79/67/52/377796752.db2.gz PFQMGDWMBVADFA-OAHLLOKOSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC000257285101 377796755 /nfs/dbraw/zinc/79/67/55/377796755.db2.gz PFQMGDWMBVADFA-OAHLLOKOSA-N 1 2 275.302 3.092 40 0 CGABLO CCN(CC)c1[nH+]cc([C@H](O)c2ccccc2)cc1C ZINC000072222226 256706544 /nfs/dbraw/zinc/70/65/44/256706544.db2.gz IMFUENZNHRFCEY-MRXNPFEDSA-N 1 2 270.376 3.318 40 0 CGABLO Cc1[nH+]c(N2CCCCC2)ccc1[C@H](O)c1ccccc1 ZINC000072224548 392204857 /nfs/dbraw/zinc/20/48/57/392204857.db2.gz CKQZLAPRNAMYCG-GOSISDBHSA-N 1 2 282.387 3.462 40 0 CGABLO Cc1cnc(Nc2nccc([C@H]3CCCC[N@H+]3C)n2)s1 ZINC000072377389 176385905 /nfs/dbraw/zinc/38/59/05/176385905.db2.gz UUEIFCQQKDYMLK-GFCCVEGCSA-N 1 2 289.408 3.142 40 0 CGABLO Cc1cnc(Nc2nccc([C@H]3CCCC[N@@H+]3C)n2)s1 ZINC000072377389 176385906 /nfs/dbraw/zinc/38/59/06/176385906.db2.gz UUEIFCQQKDYMLK-GFCCVEGCSA-N 1 2 289.408 3.142 40 0 CGABLO C=Cn1ncc(C[N@@H+]2CCn3cccc3[C@@H]2CCC)c1C ZINC000072397948 176395538 /nfs/dbraw/zinc/39/55/38/176395538.db2.gz ZZOHFESKVROANI-INIZCTEOSA-N 1 2 284.407 3.451 40 0 CGABLO C=Cn1ncc(C[N@H+]2CCn3cccc3[C@@H]2CCC)c1C ZINC000072397948 176395539 /nfs/dbraw/zinc/39/55/39/176395539.db2.gz ZZOHFESKVROANI-INIZCTEOSA-N 1 2 284.407 3.451 40 0 CGABLO Cc1[nH]c2cc(-c3nc4ccc(N)cc4o3)ccc2[nH+]1 ZINC000004243995 282048748 /nfs/dbraw/zinc/04/87/48/282048748.db2.gz GZPNVLUVOPSTRT-UHFFFAOYSA-N 1 2 264.288 3.262 40 0 CGABLO CC(C)COc1ccc2c(c1)c1c3c([n+](C)ccn23)CCC1 ZINC000000213072 368316710 /nfs/dbraw/zinc/31/67/10/368316710.db2.gz PDFUUOATWVOPRL-UHFFFAOYSA-N 1 2 295.406 3.441 40 0 CGABLO C[C@H](Cc1ccccc1)N[NH2+][C@H](C)Cc1ccccc1 ZINC000019167465 368745881 /nfs/dbraw/zinc/74/58/81/368745881.db2.gz WEPWCOQRTFRBOY-HZPDHXFCSA-N 1 2 268.404 3.343 40 0 CGABLO O=C(CCc1ccccc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951568 368899340 /nfs/dbraw/zinc/89/93/40/368899340.db2.gz VTLCQAGEISOOED-UHFFFAOYSA-N 1 2 291.354 3.444 40 0 CGABLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(C)c2)c1C ZINC000051234753 369447946 /nfs/dbraw/zinc/44/79/46/369447946.db2.gz OFLZHJRHZIWIAR-UHFFFAOYSA-N 1 2 299.374 3.337 40 0 CGABLO Cc1cccc2cc3c(nc12)O[C@@H](C)C[N@@H+](C1CC1)C3 ZINC000072392471 369818005 /nfs/dbraw/zinc/81/80/05/369818005.db2.gz HVEXEHVGBFGKCY-LBPRGKRZSA-N 1 2 268.360 3.289 40 0 CGABLO Cc1cccc2cc3c(nc12)O[C@@H](C)C[N@H+](C1CC1)C3 ZINC000072392471 369818007 /nfs/dbraw/zinc/81/80/07/369818007.db2.gz HVEXEHVGBFGKCY-LBPRGKRZSA-N 1 2 268.360 3.289 40 0 CGABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccsc2)cc[nH+]1 ZINC000257299407 190029197 /nfs/dbraw/zinc/02/91/97/190029197.db2.gz RPYZVGTZPPCDTP-ZDUSSCGKSA-N 1 2 287.388 3.162 40 0 CGABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)cc[nH+]1 ZINC000257315484 190032500 /nfs/dbraw/zinc/03/25/00/190032500.db2.gz VBOURRCVMLLWPI-MRXNPFEDSA-N 1 2 295.386 3.143 40 0 CGABLO CCc1cccc2c(OCC(=O)OC(C)C)cc(C)[nH+]c12 ZINC000064874811 392144135 /nfs/dbraw/zinc/14/41/35/392144135.db2.gz ICTMWAGSFHMTKM-UHFFFAOYSA-N 1 2 287.359 3.436 40 0 CGABLO CCN(CC)c1ccc([C@@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072212870 392198408 /nfs/dbraw/zinc/19/84/08/392198408.db2.gz JNUNBIGUPJAECN-HNNXBMFYSA-N 1 2 275.396 3.001 40 0 CGABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1N(C(C)C)C(C)C ZINC000072213009 392198879 /nfs/dbraw/zinc/19/88/79/392198879.db2.gz HCEBPBWNTXXTPL-INIZCTEOSA-N 1 2 289.423 3.388 40 0 CGABLO CC[C@H](O)c1ccc(N(C)Cc2ccccc2)[nH+]c1 ZINC000072225369 392204571 /nfs/dbraw/zinc/20/45/71/392204571.db2.gz OHMGCSRZEYXWTF-HNNXBMFYSA-N 1 2 256.349 3.161 40 0 CGABLO CCc1[nH+]c(C)cn1-c1cc(N)cc(C(F)(F)F)c1 ZINC000228931389 416522941 /nfs/dbraw/zinc/52/29/41/416522941.db2.gz ZTTXOVZWIMBFHX-UHFFFAOYSA-N 1 2 269.270 3.344 40 0 CGABLO CCNc1cc(N2Cc3ccccc3C(C)(C)C2)nc[nH+]1 ZINC000329035416 276271061 /nfs/dbraw/zinc/27/10/61/276271061.db2.gz REJCVQLDHIFRRM-UHFFFAOYSA-N 1 2 282.391 3.206 40 0 CGABLO CCNc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]cn1 ZINC000329035416 276271063 /nfs/dbraw/zinc/27/10/63/276271063.db2.gz REJCVQLDHIFRRM-UHFFFAOYSA-N 1 2 282.391 3.206 40 0 CGABLO Cc1nc([C@H]2COCC[N@@H+]2CCc2ccccc2)cs1 ZINC000096220341 370208180 /nfs/dbraw/zinc/20/81/80/370208180.db2.gz BTTWWDWZMMZZBY-MRXNPFEDSA-N 1 2 288.416 3.068 40 0 CGABLO Cc1nc([C@H]2COCC[N@H+]2CCc2ccccc2)cs1 ZINC000096220341 370208187 /nfs/dbraw/zinc/20/81/87/370208187.db2.gz BTTWWDWZMMZZBY-MRXNPFEDSA-N 1 2 288.416 3.068 40 0 CGABLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c(F)c1 ZINC000257203503 190011217 /nfs/dbraw/zinc/01/12/17/190011217.db2.gz AQJDQBYJYBNUJJ-HNNXBMFYSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)c(F)c1 ZINC000257203503 190011218 /nfs/dbraw/zinc/01/12/18/190011218.db2.gz AQJDQBYJYBNUJJ-HNNXBMFYSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)cc1F ZINC000257291562 190027407 /nfs/dbraw/zinc/02/74/07/190027407.db2.gz QHOBNLRVAGKVMF-HNNXBMFYSA-N 1 2 275.302 3.092 40 0 CGABLO Fc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1F ZINC000257291562 190027408 /nfs/dbraw/zinc/02/74/08/190027408.db2.gz QHOBNLRVAGKVMF-HNNXBMFYSA-N 1 2 275.302 3.092 40 0 CGABLO CNc1cc([C@H]2CCCN2C(=O)c2ccsc2)cc[nH+]1 ZINC000257299406 190028962 /nfs/dbraw/zinc/02/89/62/190028962.db2.gz RPYZVGTZPPCDTP-CYBMUJFWSA-N 1 2 287.388 3.162 40 0 CGABLO Cc1ccnc([C@]2(C)CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257318960 190033435 /nfs/dbraw/zinc/03/34/35/190033435.db2.gz VQCCMLGADMJNSO-KRWDZBQOSA-N 1 2 285.366 3.435 40 0 CGABLO Cc1ccnc([C@]2(C)CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257318960 190033436 /nfs/dbraw/zinc/03/34/36/190033436.db2.gz VQCCMLGADMJNSO-KRWDZBQOSA-N 1 2 285.366 3.435 40 0 CGABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cccs1 ZINC000226260850 376348592 /nfs/dbraw/zinc/34/85/92/376348592.db2.gz OQAAKGFPLGXBOB-UHFFFAOYSA-N 1 2 289.404 3.429 40 0 CGABLO O[C@H](/C=C/c1ccccc1)Cc1[nH]c2ccccc2[nH+]1 ZINC000006514320 170208867 /nfs/dbraw/zinc/20/88/67/170208867.db2.gz HPAPYULRKWBJBF-PLSXKVAHSA-N 1 2 264.328 3.180 40 0 CGABLO Cc1cc(N2CCC(c3cc4cccnc4[nH]3)CC2)nc[nH+]1 ZINC000072355949 176375507 /nfs/dbraw/zinc/37/55/07/176375507.db2.gz HEVITYGFXYWUHP-UHFFFAOYSA-N 1 2 293.374 3.045 40 0 CGABLO Cn1cc[nH+]c1CN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000072368031 176382505 /nfs/dbraw/zinc/38/25/05/176382505.db2.gz HAPZXDUWAYVFAW-HNNXBMFYSA-N 1 2 295.390 3.024 40 0 CGABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216695 278017250 /nfs/dbraw/zinc/01/72/50/278017250.db2.gz GXDMZPJZYUMETC-MRXNPFEDSA-N 1 2 287.407 3.145 40 0 CGABLO O=C1C(c2ccccc2)Sc2cnc3ccccc3[n+]21 ZINC000040227661 280450447 /nfs/dbraw/zinc/45/04/47/280450447.db2.gz INWKPFQNJSEJTQ-UHFFFAOYSA-O 1 2 279.344 3.408 40 0 CGABLO Cc1cc[nH+]c(N(C(=O)OC(C)(C)C)N2CCCC2)c1 ZINC000199720480 292765784 /nfs/dbraw/zinc/76/57/84/292765784.db2.gz ZYVUYEVHDNGAGM-UHFFFAOYSA-N 1 2 277.368 3.142 40 0 CGABLO CC(C)[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000095534767 185007917 /nfs/dbraw/zinc/00/79/17/185007917.db2.gz KIQQCJTWTBCHEG-SNVBAGLBSA-N 1 2 284.285 3.146 40 0 CGABLO [NH3+][C@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000095534837 185007966 /nfs/dbraw/zinc/00/79/66/185007966.db2.gz YBUHDJRXVFHOMT-CQSZACIVSA-N 1 2 298.777 3.368 40 0 CGABLO CC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1cccc(C)c1 ZINC000000425599 368362833 /nfs/dbraw/zinc/36/28/33/368362833.db2.gz ZTDJYKDOKYGZAY-LBPRGKRZSA-N 1 2 281.363 3.334 40 0 CGABLO C1=C[C@H]2[C@H](C1)[C@H]1C[C@@H]2[C@H]2[C@H]1N=[NH+]N2c1ccccc1 ZINC000004143764 368533929 /nfs/dbraw/zinc/53/39/29/368533929.db2.gz BXFFCCHZYGRDBR-IATJYDTKSA-N 1 2 251.333 3.453 40 0 CGABLO O=C(C[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000019831320 368768741 /nfs/dbraw/zinc/76/87/41/368768741.db2.gz PSONCHPWSNITBC-SFHVURJKSA-N 1 2 295.382 3.333 40 0 CGABLO O=C(c1ccc(Cl)cc1)N1CC[NH+]=C1Cc1ccccc1 ZINC000032610675 368938415 /nfs/dbraw/zinc/93/84/15/368938415.db2.gz POBWDKNQXDPSPG-UHFFFAOYSA-N 1 2 298.773 3.437 40 0 CGABLO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000257212017 190013060 /nfs/dbraw/zinc/01/30/60/190013060.db2.gz CBOSETXNGDZEHB-GFCCVEGCSA-N 1 2 298.365 3.328 40 0 CGABLO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000257212017 190013061 /nfs/dbraw/zinc/01/30/61/190013061.db2.gz CBOSETXNGDZEHB-GFCCVEGCSA-N 1 2 298.365 3.328 40 0 CGABLO c1cn2c([nH+]1)CN(Cc1cncs1)[C@@H](c1ccccc1)C2 ZINC000257339827 190036802 /nfs/dbraw/zinc/03/68/02/190036802.db2.gz ZDJLAYKSSHXTCU-OAHLLOKOSA-N 1 2 296.399 3.097 40 0 CGABLO Cc1ccccc1-c1n[nH]c([C@H]([NH3+])Cc2ccccc2)n1 ZINC000095534890 185008471 /nfs/dbraw/zinc/00/84/71/185008471.db2.gz TVFURRFLTZEMQS-OAHLLOKOSA-N 1 2 278.359 3.023 40 0 CGABLO CCC(=O)N1CCCC[C@@H]1c1[nH+]c(C)n2ccsc12 ZINC000585178900 346725846 /nfs/dbraw/zinc/72/58/46/346725846.db2.gz JVHFPSOGEURVDT-LLVKDONJSA-N 1 2 277.393 3.168 40 0 CGABLO Cc1ccc(Nc2nc(N)[nH+]c(C)c2Br)cc1 ZINC000001679717 368430306 /nfs/dbraw/zinc/43/03/06/368430306.db2.gz BCEUZKUUNWCUPM-UHFFFAOYSA-N 1 2 293.168 3.182 40 0 CGABLO CCCn1cc[nH+]c1CN1CCCC[C@@H]1c1n[nH]cc1C ZINC000257319182 284132387 /nfs/dbraw/zinc/13/23/87/284132387.db2.gz VRDKSSOZDYRPHK-CQSZACIVSA-N 1 2 287.411 3.052 40 0 CGABLO CC(C)N(c1[nH+]cccc1[C@@H]1CCCCN1C=O)C(C)C ZINC000072213048 369816312 /nfs/dbraw/zinc/81/63/12/369816312.db2.gz QZGWGSBCMTWUJW-INIZCTEOSA-N 1 2 289.423 3.388 40 0 CGABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2F)n1 ZINC000257276474 190024512 /nfs/dbraw/zinc/02/45/12/190024512.db2.gz NTWNJCLPFJYPIG-OAHLLOKOSA-N 1 2 289.329 3.400 40 0 CGABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2cccc(F)c2F)n1 ZINC000257276474 190024513 /nfs/dbraw/zinc/02/45/13/190024513.db2.gz NTWNJCLPFJYPIG-OAHLLOKOSA-N 1 2 289.329 3.400 40 0 CGABLO Fc1ccc(CCCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000223967798 376269557 /nfs/dbraw/zinc/26/95/57/376269557.db2.gz OQTYYPBWUXXMQG-UHFFFAOYSA-N 1 2 289.379 3.140 40 0 CGABLO Cc1cc(N2CCC(C)CC2)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103289 376340854 /nfs/dbraw/zinc/34/08/54/376340854.db2.gz UNFQAHRCRNODIH-UHFFFAOYSA-N 1 2 282.391 3.271 40 0 CGABLO Fc1ccc(F)c(C[N@@H+]2CCCC[C@H]2c2ccncn2)c1 ZINC000257222789 377795346 /nfs/dbraw/zinc/79/53/46/377795346.db2.gz DURZIYNJXBXJHI-INIZCTEOSA-N 1 2 289.329 3.482 40 0 CGABLO Fc1ccc(F)c(C[N@H+]2CCCC[C@H]2c2ccncn2)c1 ZINC000257222789 377795352 /nfs/dbraw/zinc/79/53/52/377795352.db2.gz DURZIYNJXBXJHI-INIZCTEOSA-N 1 2 289.329 3.482 40 0 CGABLO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216076 392199983 /nfs/dbraw/zinc/19/99/83/392199983.db2.gz YEABBYAIGIZDPD-MRXNPFEDSA-N 1 2 287.407 3.145 40 0 CGABLO CCN(CC)c1ccc([C@@H](O)c2ccccc2)c(C)[nH+]1 ZINC000072224307 392203098 /nfs/dbraw/zinc/20/30/98/392203098.db2.gz XMYVMPDNLZJZJM-KRWDZBQOSA-N 1 2 270.376 3.318 40 0 CGABLO S=C(Nc1cc[nH+]cc1)N[C@@H]1CCCc2ccccc21 ZINC000225462875 296596936 /nfs/dbraw/zinc/59/69/36/296596936.db2.gz ZAOLFLDWVHVNFJ-OAHLLOKOSA-N 1 2 283.400 3.446 40 0 CGABLO Clc1cccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000072366790 294111951 /nfs/dbraw/zinc/11/19/51/294111951.db2.gz COQOVILCRIWEIC-CQSZACIVSA-N 1 2 261.756 3.400 40 0 CGABLO Clc1cccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000072366790 294111954 /nfs/dbraw/zinc/11/19/54/294111954.db2.gz COQOVILCRIWEIC-CQSZACIVSA-N 1 2 261.756 3.400 40 0 CGABLO CC1(C)Cc2ccccc2CN1c1cc(NC2CC2)[nH+]cn1 ZINC000329035355 136377724 /nfs/dbraw/zinc/37/77/24/136377724.db2.gz RDZHFEXDOGYRMO-UHFFFAOYSA-N 1 2 294.402 3.392 40 0 CGABLO CC1(C)Cc2ccccc2CN1c1cc(NC2CC2)nc[nH+]1 ZINC000329035355 136377725 /nfs/dbraw/zinc/37/77/25/136377725.db2.gz RDZHFEXDOGYRMO-UHFFFAOYSA-N 1 2 294.402 3.392 40 0 CGABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)c1 ZINC000329016483 202155103 /nfs/dbraw/zinc/15/51/03/202155103.db2.gz NHHZPVBYVWUGQY-UHFFFAOYSA-N 1 2 296.418 3.379 40 0 CGABLO CC(C)(C)C(=O)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257206181 190011500 /nfs/dbraw/zinc/01/15/00/190011500.db2.gz BCFIFFIKHZISOU-CYBMUJFWSA-N 1 2 271.364 3.044 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000257217634 190013675 /nfs/dbraw/zinc/01/36/75/190013675.db2.gz CZWFJBAXHREUQL-OAHLLOKOSA-N 1 2 270.380 3.149 40 0 CGABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000257217634 190013676 /nfs/dbraw/zinc/01/36/76/190013676.db2.gz CZWFJBAXHREUQL-OAHLLOKOSA-N 1 2 270.380 3.149 40 0 CGABLO CNc1cc([C@@H]2CCCN2C(=O)CCC(C)C)cc[nH+]1 ZINC000257238364 190017589 /nfs/dbraw/zinc/01/75/89/190017589.db2.gz HKQOXYWSONAZSD-AWEZNQCLSA-N 1 2 275.396 3.223 40 0 CGABLO Cc1cc(NCC(C)C)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103272 376340352 /nfs/dbraw/zinc/34/03/52/376340352.db2.gz ZMLJRHNQXHGRAW-UHFFFAOYSA-N 1 2 256.353 3.102 40 0 CGABLO C[NH2+]c1ccc(N2CCCCC2)c(Br)c1 ZINC000226275444 376348380 /nfs/dbraw/zinc/34/83/80/376348380.db2.gz DOFAHSPLSAKGRK-UHFFFAOYSA-N 1 2 269.186 3.481 40 0 CGABLO Nc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212358 392197719 /nfs/dbraw/zinc/19/77/19/392197719.db2.gz PLUXKPFHGWZMIT-HNNXBMFYSA-N 1 2 297.358 3.138 40 0 CGABLO CC(=O)N1CCC[C@@H]1c1ccc(N(C(C)C)C(C)C)[nH+]c1 ZINC000072212950 392198722 /nfs/dbraw/zinc/19/87/22/392198722.db2.gz SPKYARYKRSZLEV-MRXNPFEDSA-N 1 2 289.423 3.388 40 0 CGABLO CC(C)[N@@H+]1CCC[C@@H]1c1nccnc1Nc1nccs1 ZINC000072386489 392206078 /nfs/dbraw/zinc/20/60/78/392206078.db2.gz FHXCQUYDAJCWJS-LLVKDONJSA-N 1 2 289.408 3.222 40 0 CGABLO CC(C)[N@H+]1CCC[C@@H]1c1nccnc1Nc1nccs1 ZINC000072386489 392206079 /nfs/dbraw/zinc/20/60/79/392206079.db2.gz FHXCQUYDAJCWJS-LLVKDONJSA-N 1 2 289.408 3.222 40 0 CGABLO Cc1cc(N2CCC[C@H](c3cc4cccnc4[nH]3)C2)nc[nH+]1 ZINC000072355950 176375495 /nfs/dbraw/zinc/37/54/95/176375495.db2.gz DLGVBJUCVVMAMO-AWEZNQCLSA-N 1 2 293.374 3.045 40 0 CGABLO S=C(Nc1cc[nH+]cc1)NC1(c2ccncc2)CCCC1 ZINC000225874483 304849217 /nfs/dbraw/zinc/84/92/17/304849217.db2.gz DGLQBAXDECGIPL-UHFFFAOYSA-N 1 2 298.415 3.233 40 0 CGABLO Cc1noc(C)c1C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000105498689 635871288 /nfs/dbraw/zinc/87/12/88/635871288.db2.gz DZNWRSWQGMDLCE-UHFFFAOYSA-N 1 2 279.409 3.335 40 0 CGABLO c1cc(C[N@H+]2CCc3c(COCC4CC4)cncc3C2)co1 ZINC000096059303 185079883 /nfs/dbraw/zinc/07/98/83/185079883.db2.gz WKEMNKDXPLRMQF-UHFFFAOYSA-N 1 2 298.386 3.160 40 0 CGABLO c1cc(C[N@@H+]2CCc3c(COCC4CC4)cncc3C2)co1 ZINC000096059303 185079885 /nfs/dbraw/zinc/07/98/85/185079885.db2.gz WKEMNKDXPLRMQF-UHFFFAOYSA-N 1 2 298.386 3.160 40 0 CGABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1C ZINC000328989717 202141955 /nfs/dbraw/zinc/14/19/55/202141955.db2.gz ILVXISXHPZHMGI-UHFFFAOYSA-N 1 2 294.402 3.133 40 0 CGABLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C1CCOCC1 ZINC000119712908 370700771 /nfs/dbraw/zinc/70/07/71/370700771.db2.gz KOOONTVWQACUCX-UHFFFAOYSA-N 1 2 299.374 3.196 40 0 CGABLO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cc1F ZINC000257245362 190019228 /nfs/dbraw/zinc/01/92/28/190019228.db2.gz IPDDWJNKBDYYDY-MRXNPFEDSA-N 1 2 289.329 3.482 40 0 CGABLO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2ccncn2)cc1F ZINC000257245362 190019229 /nfs/dbraw/zinc/01/92/29/190019229.db2.gz IPDDWJNKBDYYDY-MRXNPFEDSA-N 1 2 289.329 3.482 40 0 CGABLO Cc1c[nH]c([C@H]2CCCN2Cc2ccc(F)c(F)c2)[nH+]1 ZINC000257280814 190025463 /nfs/dbraw/zinc/02/54/63/190025463.db2.gz OMNPSFCFANTNTE-CQSZACIVSA-N 1 2 277.318 3.333 40 0 CGABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)[nH+]1 ZINC000257298176 190029442 /nfs/dbraw/zinc/02/94/42/190029442.db2.gz RKMLOBPNKMPFQX-OFAQMXQXSA-N 1 2 295.386 3.105 40 0 CGABLO Brc1ccc([C@@H]2C[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000575424189 377907924 /nfs/dbraw/zinc/90/79/24/377907924.db2.gz WSAZLJIKLPGIQB-YPMHNXCESA-N 1 2 277.165 3.449 40 0 CGABLO O=C(NCc1c[nH+]c[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000329735954 542448595 /nfs/dbraw/zinc/44/85/95/542448595.db2.gz LFRWHLGULXBZDV-UHFFFAOYSA-N 1 2 283.375 3.387 40 0 CGABLO O=C(NCc1c[nH]c[nH+]1)c1ccc(C2CCCCC2)cc1 ZINC000329735954 542448600 /nfs/dbraw/zinc/44/86/00/542448600.db2.gz LFRWHLGULXBZDV-UHFFFAOYSA-N 1 2 283.375 3.387 40 0 CGABLO CC(C)n1c(CCCO)[nH+]c2cccc(Cl)c21 ZINC000095095682 184943002 /nfs/dbraw/zinc/94/30/02/184943002.db2.gz MVAMINYJBDXWGK-UHFFFAOYSA-N 1 2 252.745 3.196 40 0 CGABLO COc1cc2c(cc1OC)C(Cc1cccs1)=[NH+]CC2 ZINC000005462892 170101536 /nfs/dbraw/zinc/10/15/36/170101536.db2.gz BNJDAXWVINMRMJ-UHFFFAOYSA-N 1 2 287.384 3.353 40 0 CGABLO CC1(c2ncc(Cl)s2)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000257209129 276173320 /nfs/dbraw/zinc/17/33/20/276173320.db2.gz BPDOTFTVDVGWRI-UHFFFAOYSA-N 1 2 296.827 3.073 40 0 CGABLO Cc1[nH+]cn(-c2ccccc2Br)c1C ZINC000225793196 333182634 /nfs/dbraw/zinc/18/26/34/333182634.db2.gz OOWBZCBBLSBLLS-UHFFFAOYSA-N 1 2 251.127 3.252 40 0 CGABLO