smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(C(=O)N[C@@H]2[C@@H](COC)[C@H]3OCC[C@@H]23)s1 ZINC000217990131 538888640 /nfs/dbraw/zinc/88/86/40/538888640.db2.gz KNBBPMHRYOFQGF-XCCSTKFXSA-N 0 0 295.404 2.090 50 70 CEIARN Cc1ccc(C)n1CC(=O)NCCc1nc2ccccc2[nH]1 ZINC000218503214 370209876 /nfs/dbraw/zinc/20/98/76/370209876.db2.gz IQHUKKPNYZZBJR-UHFFFAOYSA-N 0 0 296.374 2.340 50 70 CEIARN CC[C@@H](NC(=O)Cc1cccnc1)c1ccncc1 ZINC000218540688 370210152 /nfs/dbraw/zinc/21/01/52/370210152.db2.gz FQYFUDMBPSLQAZ-CQSZACIVSA-N 0 0 255.321 2.287 50 70 CEIARN O=C(NCC1(c2ccsc2)CCCC1)N1CCNC1=O ZINC000217582900 370197930 /nfs/dbraw/zinc/19/79/30/370197930.db2.gz LTHSBNWQWLUZPJ-UHFFFAOYSA-N 0 0 293.392 2.295 50 70 CEIARN O=C(CSCc1ccccc1)N1CCc2ncncc2C1 ZINC000217626513 370197979 /nfs/dbraw/zinc/19/79/79/370197979.db2.gz MIJQUBRPDITSQW-UHFFFAOYSA-N 0 0 299.399 2.295 50 70 CEIARN Cn1cccc1[C@H](O)CCNC(=O)c1ccc(F)c(F)c1 ZINC000217933361 370202394 /nfs/dbraw/zinc/20/23/94/370202394.db2.gz YKFPUEPAFREXOJ-CQSZACIVSA-N 0 0 294.301 2.157 50 70 CEIARN CC(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2 ZINC000217902380 370203265 /nfs/dbraw/zinc/20/32/65/370203265.db2.gz HZSTYFCNHNACEL-UHFFFAOYSA-N 0 0 273.336 2.051 50 70 CEIARN CC(=O)c1ccc2c(c1O)[C@@H](c1cccnc1)CC(=O)O2 ZINC000217676077 394455376 /nfs/dbraw/zinc/45/53/76/394455376.db2.gz MIGRJUBOEFUHJC-GFCCVEGCSA-N 0 0 283.283 2.431 50 70 CEIARN Cc1c[nH]c(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000217858226 394456317 /nfs/dbraw/zinc/45/63/17/394456317.db2.gz MKNOMAWZGBFVNJ-GFCCVEGCSA-N 0 0 273.311 2.487 50 70 CEIARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cc1cccc(O)c1 ZINC000217110136 400307225 /nfs/dbraw/zinc/30/72/25/400307225.db2.gz NTLFXISSBBCGCA-SECBINFHSA-N 0 0 273.336 2.152 50 70 CEIARN CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)C[NH2+]C ZINC000161259775 344463511 /nfs/dbraw/zinc/46/35/11/344463511.db2.gz XAVMBLCNHPHSNZ-CABCVRRESA-N 0 0 260.381 2.309 50 70 CEIARN CCc1ccc(C(=O)NCC[C@@H](O)C2CCOCC2)cc1 ZINC000217914621 189712389 /nfs/dbraw/zinc/71/23/89/189712389.db2.gz QENYSXCQONKDKI-MRXNPFEDSA-N 0 0 291.391 2.156 50 70 CEIARN Cc1cc(C)n(C[C@H](C)NC(=O)Cc2ccsc2)n1 ZINC000218204117 189713639 /nfs/dbraw/zinc/71/36/39/189713639.db2.gz GGHFDNXRFPVBFD-NSHDSACASA-N 0 0 277.393 2.309 50 70 CEIARN CCc1cc(C(=O)N2CCC[C@@](C)(O)CC2)ccn1 ZINC000218623448 370211205 /nfs/dbraw/zinc/21/12/05/370211205.db2.gz XSUACBYQRIYWET-OAHLLOKOSA-N 0 0 262.353 2.021 50 70 CEIARN Cc1noc(C)c1C(=O)Nc1ccn2nccc2c1 ZINC000217957272 370202347 /nfs/dbraw/zinc/20/23/47/370202347.db2.gz YPNUQENFGDBQKD-UHFFFAOYSA-N 0 0 256.265 2.191 50 70 CEIARN O=C(Cc1ccccn1)NCc1nc2c(s1)CCCC2 ZINC000217897741 370203203 /nfs/dbraw/zinc/20/32/03/370203203.db2.gz XUQIYJPTVMNNQY-UHFFFAOYSA-N 0 0 287.388 2.276 50 70 CEIARN CC(C)Cc1cc(CNC(=O)c2ccncc2)on1 ZINC000218058306 370205566 /nfs/dbraw/zinc/20/55/66/370205566.db2.gz UJKYHSVYEYHZDH-UHFFFAOYSA-N 0 0 259.309 2.198 50 70 CEIARN CC[C@@H](NC(=O)CCc1cccnc1)c1ccnn1C ZINC000218143770 370206603 /nfs/dbraw/zinc/20/66/03/370206603.db2.gz LPUMQMMMQFDVOC-CYBMUJFWSA-N 0 0 272.352 2.015 50 70 CEIARN Cc1cc(C)c(C(=O)N2CC[C@H](n3ccnn3)C2)c(C)c1 ZINC000217686001 394455215 /nfs/dbraw/zinc/45/52/15/394455215.db2.gz BZMXIUVHCVLCNO-AWEZNQCLSA-N 0 0 284.363 2.291 50 70 CEIARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)C(=O)c1ccccc1 ZINC000217144366 400307036 /nfs/dbraw/zinc/30/70/36/400307036.db2.gz KUILYMCIWLNQCV-VIFPVBQESA-N 0 0 271.320 2.087 50 70 CEIARN Cc1ccc2[nH]c([C@@H](C)NC(=O)c3cc(N)ccn3)nc2c1 ZINC000217141663 400307160 /nfs/dbraw/zinc/30/71/60/400307160.db2.gz LXXLNGIQLOFPSJ-SNVBAGLBSA-N 0 0 295.346 2.340 50 70 CEIARN Cn1cccc1[C@H](O)CCNC(=O)NC1CCCCC1 ZINC000217949750 189712698 /nfs/dbraw/zinc/71/26/98/189712698.db2.gz VQDOPPZMUDXYIR-CQSZACIVSA-N 0 0 279.384 2.081 50 70 CEIARN CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)OCc1ccccc1 ZINC000160375511 367000967 /nfs/dbraw/zinc/00/09/67/367000967.db2.gz CNUCNVRFYRXMGQ-CHWSQXEVSA-N 0 0 293.363 2.050 50 70 CEIARN CN(C)c1ccc(CC[C@@H]2COc3ccccc3O2)nn1 ZINC000218475765 370209790 /nfs/dbraw/zinc/20/97/90/370209790.db2.gz XSJFVGRZZRCWHT-CYBMUJFWSA-N 0 0 285.347 2.315 50 70 CEIARN Cc1cc(CC(=O)N2CCC[C@H]2c2ccccn2)on1 ZINC000216922376 370192157 /nfs/dbraw/zinc/19/21/57/370192157.db2.gz XIMFGVJSAHXEKA-AWEZNQCLSA-N 0 0 271.320 2.284 50 70 CEIARN COC(=O)c1ccc(C(=O)Nc2ccn3nccc3c2)cc1 ZINC000217952174 370203326 /nfs/dbraw/zinc/20/33/26/370203326.db2.gz UWRHYYHCWGNGQS-UHFFFAOYSA-N 0 0 295.298 2.373 50 70 CEIARN Cc1nnc([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)o1 ZINC000218128305 370205995 /nfs/dbraw/zinc/20/59/95/370205995.db2.gz VIQHAJRQQFNGFL-MRVPVSSYSA-N 0 0 270.292 2.350 50 70 CEIARN CCc1cnccc1C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000159553191 344455108 /nfs/dbraw/zinc/45/51/08/344455108.db2.gz XOCIJQUERNMVOZ-UHFFFAOYSA-N 0 0 293.330 2.477 50 70 CEIARN CCS(=O)(=O)NCC1(c2ccsc2)CCCC1 ZINC000217483168 189710003 /nfs/dbraw/zinc/71/00/03/189710003.db2.gz QDUYJLDDYVONQH-UHFFFAOYSA-N 0 0 273.423 2.499 50 70 CEIARN CNc1nc(C(=O)N(C)[C@H](C)c2ccon2)cs1 ZINC000216966278 370192151 /nfs/dbraw/zinc/19/21/51/370192151.db2.gz OIQYTQWRKBYRRD-SSDOTTSWSA-N 0 0 266.326 2.006 50 70 CEIARN O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccc(F)c(F)c1F)C2 ZINC000217473792 370197105 /nfs/dbraw/zinc/19/71/05/370197105.db2.gz WJXQIRMUVROKHR-MSRIBSCDSA-N 0 0 271.282 2.307 50 70 CEIARN Cc1cc(C(=O)NCC[C@@H](O)c2cccn2C)c(C)o1 ZINC000217931956 370203137 /nfs/dbraw/zinc/20/31/37/370203137.db2.gz UQILLWFGCLCSIU-CQSZACIVSA-N 0 0 276.336 2.088 50 70 CEIARN Cn1nc(CN(Cc2ccco2)C(=O)C2CC2)c2c1CCC2 ZINC000217902495 370203325 /nfs/dbraw/zinc/20/33/25/370203325.db2.gz KQDSARAVZDDQQO-UHFFFAOYSA-N 0 0 299.374 2.441 50 70 CEIARN Cc1csc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000218080701 370205176 /nfs/dbraw/zinc/20/51/76/370205176.db2.gz KBJVXSPZNZACMO-GFCCVEGCSA-N 0 0 287.388 2.460 50 70 CEIARN COc1ccc(F)cc1C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000218755545 394456726 /nfs/dbraw/zinc/45/67/26/394456726.db2.gz MVZLQOHYOCNGMV-SNVBAGLBSA-N 0 0 281.327 2.067 50 70 CEIARN Cc1nc(N)ncc1C(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000218083281 293291006 /nfs/dbraw/zinc/29/10/06/293291006.db2.gz NFPCTPCBHCPNPF-ZDUSSCGKSA-N 0 0 286.310 2.094 50 70 CEIARN COc1cc(CCC(=O)N(C)Cc2cnccn2)ccc1C ZINC000217084696 189708383 /nfs/dbraw/zinc/70/83/83/189708383.db2.gz RBZZURSAZGTPOR-UHFFFAOYSA-N 0 0 299.374 2.385 50 70 CEIARN Cc1cc(CNC(=O)[C@H]2CCCCO2)ccc1F ZINC000160428281 367005125 /nfs/dbraw/zinc/00/51/25/367005125.db2.gz BKWMBJUSBBBKKC-CYBMUJFWSA-N 0 0 251.301 2.319 50 70 CEIARN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CSCN1 ZINC000161243184 367071822 /nfs/dbraw/zinc/07/18/22/367071822.db2.gz DJXDKHBPVKSEJY-QKCSRTOESA-N 0 0 294.395 2.193 50 70 CEIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(CCC(C)C)n[nH]1 ZINC000218399687 370209631 /nfs/dbraw/zinc/20/96/31/370209631.db2.gz XEWPJZFLSAIRKA-BXUZGUMPSA-N 0 0 281.400 2.135 50 70 CEIARN CCn1cnnc1[C@@H](C)NC(=O)Cc1cc(C)ccc1C ZINC000218626964 370211310 /nfs/dbraw/zinc/21/13/10/370211310.db2.gz CXHLXWDSVVZNIM-CYBMUJFWSA-N 0 0 286.379 2.335 50 70 CEIARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccccc2C)C1 ZINC000217551561 370197120 /nfs/dbraw/zinc/19/71/20/370197120.db2.gz YNWZESVJGUQATI-GFCCVEGCSA-N 0 0 293.388 2.116 50 70 CEIARN CC[C@@H](C(=O)N(C)CCC1CCOCC1)n1cccn1 ZINC000218139195 370206249 /nfs/dbraw/zinc/20/62/49/370206249.db2.gz OPUDCLGFKHSCPC-AWEZNQCLSA-N 0 0 279.384 2.109 50 70 CEIARN Cc1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)c(C)n1C ZINC000218246205 370207389 /nfs/dbraw/zinc/20/73/89/370207389.db2.gz ROQATYQOZSDFQB-AWEZNQCLSA-N 0 0 298.390 2.452 50 70 CEIARN Cn1cnnc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000160777066 344461171 /nfs/dbraw/zinc/46/11/71/344461171.db2.gz IKECCWVCKRZRGR-GFCCVEGCSA-N 0 0 297.362 2.336 50 70 CEIARN Cc1ccc(C)c(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000160953869 188500174 /nfs/dbraw/zinc/50/01/74/188500174.db2.gz PGDOEEZAVYZNEJ-LBPRGKRZSA-N 0 0 285.351 2.031 50 70 CEIARN O=C(C1CC1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217807130 189712651 /nfs/dbraw/zinc/71/26/51/189712651.db2.gz MPDNZLWYWVHASQ-SNVBAGLBSA-N 0 0 275.352 2.138 50 70 CEIARN CC(C)(C(=O)N[C@H]1C[C@@H]2OCC[C@H]12)c1ccccc1 ZINC000218533276 370210264 /nfs/dbraw/zinc/21/02/64/370210264.db2.gz KIHJWXUXNNMYCP-RDBSUJKOSA-N 0 0 259.349 2.258 50 70 CEIARN CCOCCn1c2ccc(OC)cc2sc1=N ZINC000217429257 370195763 /nfs/dbraw/zinc/19/57/63/370195763.db2.gz XRMPDAIMCIWINX-UHFFFAOYSA-N 0 0 252.339 2.227 50 70 CEIARN Cc1cccc(NC(=O)NCC[C@@H](O)C2CCOCC2)c1 ZINC000217928754 370203214 /nfs/dbraw/zinc/20/32/14/370203214.db2.gz BYZSPJODQJWUMP-OAHLLOKOSA-N 0 0 292.379 2.294 50 70 CEIARN O=C(Cc1cccnc1)NCc1ccc2c(c1)OCCCO2 ZINC000218082068 370205744 /nfs/dbraw/zinc/20/57/44/370205744.db2.gz LRFUNJUCKWCIOF-UHFFFAOYSA-N 0 0 298.342 2.102 50 70 CEIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1ccoc1 ZINC000218225998 370206539 /nfs/dbraw/zinc/20/65/39/370206539.db2.gz LIAAHMQIKSDOIC-UHFFFAOYSA-N 0 0 275.308 2.155 50 70 CEIARN Cc1cc(C)c(C(=O)N2CC[C@@H](n3ccnn3)C2)c(C)c1 ZINC000217686088 394455507 /nfs/dbraw/zinc/45/55/07/394455507.db2.gz BZMXIUVHCVLCNO-CQSZACIVSA-N 0 0 284.363 2.291 50 70 CEIARN O=C(c1c[nH]c2ccccc12)N1CCc2oncc2C1 ZINC000217693420 394455535 /nfs/dbraw/zinc/45/55/35/394455535.db2.gz WECNMOUUDSKLTB-UHFFFAOYSA-N 0 0 267.288 2.354 50 70 CEIARN Cc1ccc2c(c1)C[C@H](C(=O)NCCc1ncccc1C)N2 ZINC000217059430 400307199 /nfs/dbraw/zinc/30/71/99/400307199.db2.gz ZUWPLWXHKHETRQ-QGZVFWFLSA-N 0 0 295.386 2.394 50 70 CEIARN COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 ZINC000218104994 295247202 /nfs/dbraw/zinc/24/72/02/295247202.db2.gz PDOGOXFDIDEVGW-GFCCVEGCSA-N 0 0 286.283 2.398 50 70 CEIARN Cc1nccc(NC(=O)N[C@@H](C)CCCO)c1Cl ZINC000159525091 344455052 /nfs/dbraw/zinc/45/50/52/344455052.db2.gz ORGNOVLYINMMEZ-QMMMGPOBSA-N 0 0 271.748 2.326 50 70 CEIARN Cc1cc(C(=O)N2CCC[C@H]2c2nnc(C)[nH]2)c(C)o1 ZINC000217742707 538888000 /nfs/dbraw/zinc/88/80/00/538888000.db2.gz SVIYPKZFWHBTOL-LBPRGKRZSA-N 0 0 274.324 2.300 50 70 CEIARN O=C(c1cc(C2CC2)on1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160347225 366997972 /nfs/dbraw/zinc/99/79/72/366997972.db2.gz QFEPJBGCKAFIPU-MLGOLLRUSA-N 0 0 290.363 2.319 50 70 CEIARN Cc1cccc([SiH](c2ccccc2)c2ccccc2)c1 ZINC000169817087 367372495 /nfs/dbraw/zinc/37/24/95/367372495.db2.gz UKEASHDXKKDXRW-UHFFFAOYSA-N 0 0 274.439 2.244 50 70 CEIARN COc1cc(CCC(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)ccc1C ZINC000216966592 370192320 /nfs/dbraw/zinc/19/23/20/370192320.db2.gz HYLLTWPHNDFMCA-FMKPAKJESA-N 0 0 289.375 2.230 50 70 CEIARN CC[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1nc(C)c(C)s1 ZINC000218195356 370206580 /nfs/dbraw/zinc/20/65/80/370206580.db2.gz XQJFSWMUIQUHDZ-LLVKDONJSA-N 0 0 291.376 2.329 50 70 CEIARN Cc1ccc2[nH]c([C@H](C)NC(=O)c3cc(N)ccn3)nc2c1 ZINC000217141672 400306702 /nfs/dbraw/zinc/30/67/02/400306702.db2.gz LXXLNGIQLOFPSJ-JTQLQIEISA-N 0 0 295.346 2.340 50 70 CEIARN O=C(c1c[nH]cn1)N1CCCC[C@H]1c1ccccn1 ZINC000217007822 280230533 /nfs/dbraw/zinc/23/05/33/280230533.db2.gz RYULSDWZBMAJDV-ZDUSSCGKSA-N 0 0 256.309 2.172 50 70 CEIARN O=C1C[C@H](c2ccco2)c2cc3c(cc2O1)OCO3 ZINC000217897330 280274040 /nfs/dbraw/zinc/27/40/40/280274040.db2.gz HRSWRKCLMQWMAZ-VIFPVBQESA-N 0 0 258.229 2.449 50 70 CEIARN CCOC(=O)c1nnc(-c2cc(F)ccc2C)o1 ZINC000160600604 188482961 /nfs/dbraw/zinc/48/29/61/188482961.db2.gz AYFXAKULQGPTLS-UHFFFAOYSA-N 0 0 250.229 2.361 50 70 CEIARN Cc1noc([C@H]2COCCN2Cc2ccc(F)cc2F)n1 ZINC000160862701 367039182 /nfs/dbraw/zinc/03/91/82/367039182.db2.gz XOAAMYIJYNNDDY-CYBMUJFWSA-N 0 0 295.289 2.230 50 70 CEIARN COc1coc(C(=O)Nc2cccc3c2ccn3C)cc1=O ZINC000218594880 370211224 /nfs/dbraw/zinc/21/12/24/370211224.db2.gz YJMKTPCMGPAHEI-UHFFFAOYSA-N 0 0 298.298 2.392 50 70 CEIARN COCC(=O)NCC1(c2ccsc2)CCCC1 ZINC000217479456 370196233 /nfs/dbraw/zinc/19/62/33/370196233.db2.gz RUDOTTMJJUBIPQ-UHFFFAOYSA-N 0 0 253.367 2.323 50 70 CEIARN CCS(=O)(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217510523 370196397 /nfs/dbraw/zinc/19/63/97/370196397.db2.gz CAMWKOMREKFFFV-ZDUSSCGKSA-N 0 0 299.417 2.048 50 70 CEIARN O=C(NCC[C@@H](O)c1ccsc1)c1ccoc1 ZINC000217534543 370196872 /nfs/dbraw/zinc/19/68/72/370196872.db2.gz IVTITGLTULEPGQ-LLVKDONJSA-N 0 0 251.307 2.195 50 70 CEIARN 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c1ccc([SiH]2c3ccccc3O[C@H]3C=CC=C[C@H]32)cc1 ZINC000230096018 370439742 /nfs/dbraw/zinc/43/97/42/370439742.db2.gz WAROJXYLQDBJHR-DAPIJDQBSA-N 0 0 276.411 2.285 50 70 CEIARN CN1CCN(C(=O)c2ccncc2F)C[C@@H]1c1ccccc1 ZINC000217213238 400306905 /nfs/dbraw/zinc/30/69/05/400306905.db2.gz RZUJKXPLTRHDIV-MRXNPFEDSA-N 0 0 299.349 2.350 50 70 CEIARN Cc1oncc1NC(=O)C[C@H]1CSCCS1 ZINC000161031162 344463123 /nfs/dbraw/zinc/46/31/23/344463123.db2.gz NLKVTJYSFTYMRW-QMMMGPOBSA-N 0 0 258.368 2.160 50 70 CEIARN Cc1cc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c(C)n1C ZINC000218246139 189713582 /nfs/dbraw/zinc/71/35/82/189713582.db2.gz ROQATYQOZSDFQB-CQSZACIVSA-N 0 0 298.390 2.452 50 70 CEIARN Cc1n[nH]c(C)c1CCC(=O)NCCc1ccc(O)cc1 ZINC000218169209 189713631 /nfs/dbraw/zinc/71/36/31/189713631.db2.gz XMKIFMLFUJBCME-UHFFFAOYSA-N 0 0 287.363 2.024 50 70 CEIARN CCN(Cc1nnc(-c2ccccc2)n1C)C(C)(C)CO ZINC000159690143 366940533 /nfs/dbraw/zinc/94/05/33/366940533.db2.gz NHSBYKWYULMUCR-UHFFFAOYSA-N 0 0 288.395 2.075 50 70 CEIARN 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Cc1ccc(CCNC(=O)N2CCCC[C@H]2CCO)cc1 ZINC000217307924 370193527 /nfs/dbraw/zinc/19/35/27/370193527.db2.gz LUMPQLXGISPOFE-INIZCTEOSA-N 0 0 290.407 2.484 50 70 CEIARN O=C(CC1CCCCC1)NCC[C@H](O)C1CCOCC1 ZINC000217913951 370202739 /nfs/dbraw/zinc/20/27/39/370202739.db2.gz JGNGMMZPCGNIDR-HNNXBMFYSA-N 0 0 283.412 2.251 50 70 CEIARN Cc1cc(C(=O)NCc2ccncc2C)c(C)n1C ZINC000218097628 370205578 /nfs/dbraw/zinc/20/55/78/370205578.db2.gz QAILZRBJEACIPA-UHFFFAOYSA-N 0 0 257.337 2.275 50 70 CEIARN Cc1nc(CCN(C)C(=O)c2ccc(Cl)cc2F)no1 ZINC000218357488 370208037 /nfs/dbraw/zinc/20/80/37/370208037.db2.gz NSUXGZQTHADQGG-UHFFFAOYSA-N 0 0 297.717 2.485 50 70 CEIARN CC1(C)OC(=O)C[C@H]1C(=O)NCCC1=CCCCC1 ZINC000218122477 329066757 /nfs/dbraw/zinc/06/67/57/329066757.db2.gz LKKWQNMKWQOOTD-LBPRGKRZSA-N 0 0 265.353 2.335 50 70 CEIARN CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(CO)cc1 ZINC000218243120 189713690 /nfs/dbraw/zinc/71/36/90/189713690.db2.gz HEPZWCFIGPQTJJ-OAHLLOKOSA-N 0 0 277.364 2.210 50 70 CEIARN CCOCC(=O)N1CCCC[C@@H]1c1cc(C)on1 ZINC000218190275 189714025 /nfs/dbraw/zinc/71/40/25/189714025.db2.gz MJYASWGNUWLGLT-GFCCVEGCSA-N 0 0 252.314 2.073 50 70 CEIARN Cc1ccc(C)n1CC(=O)NCCn1cnc2ccccc21 ZINC000218527226 370209726 /nfs/dbraw/zinc/20/97/26/370209726.db2.gz OJEJBUFOECXOIM-UHFFFAOYSA-N 0 0 296.374 2.271 50 70 CEIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1cccnc1 ZINC000217886532 370202238 /nfs/dbraw/zinc/20/22/38/370202238.db2.gz WBKCKBSNDWRDPH-UHFFFAOYSA-N 0 0 298.371 2.437 50 70 CEIARN CCN(Cc1nccn1C)C(=O)c1ccc(OC)c(C)c1 ZINC000217995867 370203980 /nfs/dbraw/zinc/20/39/80/370203980.db2.gz ZXGYDUWGCNPSLE-UHFFFAOYSA-N 0 0 287.363 2.399 50 70 CEIARN COc1cc(C(=O)NCCC[C@H]2CCOC2)ccc1F ZINC000218376682 370208062 /nfs/dbraw/zinc/20/80/62/370208062.db2.gz BLIWEBMNVMXUGF-NSHDSACASA-N 0 0 281.327 2.381 50 70 CEIARN Cn1ccc(NC(=O)c2cnc3c(F)cccc3c2O)n1 ZINC000218369044 370208400 /nfs/dbraw/zinc/20/84/00/370208400.db2.gz AJDYJUWBDTUAPR-UHFFFAOYSA-N 0 0 286.266 2.065 50 70 CEIARN c1ccc([SiH]2c3ccccc3O[C@@H]3C=CC=C[C@H]32)cc1 ZINC000230096011 130891684 /nfs/dbraw/zinc/89/16/84/130891684.db2.gz WAROJXYLQDBJHR-LSOHHRALSA-N 0 0 276.411 2.285 50 70 CEIARN COc1ccnc(CNC(=O)Cc2ccc(N(C)C)cc2)c1 ZINC000217109825 400306995 /nfs/dbraw/zinc/30/69/95/400306995.db2.gz BJZXNRCTUAIOAK-UHFFFAOYSA-N 0 0 299.374 2.015 50 70 CEIARN CCc1n[nH]cc1-c1ncnn1Cc1ccc(OC)cc1 ZINC000217370059 189708857 /nfs/dbraw/zinc/70/88/57/189708857.db2.gz YXMYCFAAQOMPGD-UHFFFAOYSA-N 0 0 283.335 2.288 50 70 CEIARN Cc1nn(C)c(C)c1NC(=O)c1n[nH]c2c1CCCCC2 ZINC000218494656 370209747 /nfs/dbraw/zinc/20/97/47/370209747.db2.gz PKWHNYXOOGOOAJ-UHFFFAOYSA-N 0 0 287.367 2.281 50 70 CEIARN O=C(COc1ccccc1)NCC[C@@H](O)c1ccsc1 ZINC000217525870 370197189 /nfs/dbraw/zinc/19/71/89/370197189.db2.gz AIHJTGJUZDQXLG-CQSZACIVSA-N 0 0 291.372 2.367 50 70 CEIARN Cc1noc([C@@H]2COCCN2Cc2cc(F)ccc2F)n1 ZINC000160845944 312642458 /nfs/dbraw/zinc/64/24/58/312642458.db2.gz XGLYRZOJSYLPSF-ZDUSSCGKSA-N 0 0 295.289 2.230 50 70 CEIARN