smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)COc1cccc(CC(=O)N[C@@H](C)CCC(C)C)c1 ZINC000159562444 282176657 /nfs/dbraw/zinc/17/66/57/282176657.db2.gz JTVNKHVFKYYZCY-AWEZNQCLSA-N 0 0 320.433 2.295 20 70 DEIDRN CC(C)OC1CCC(NS(=O)(=O)N2CCCCCC2)CC1 ZINC000159380053 539581658 /nfs/dbraw/zinc/58/16/58/539581658.db2.gz ZRZFTTDJINBUEX-UHFFFAOYSA-N 0 0 318.483 2.433 20 70 DEIDRN CN(C(=O)N[C@H]1CCCSC1)[C@@H]1CCCc2c1cnn2C ZINC000159427547 539582278 /nfs/dbraw/zinc/58/22/78/539582278.db2.gz VCXMVGUCHLNIQI-WCQYABFASA-N 0 0 308.451 2.335 20 70 DEIDRN C[C@@H](OCC1CC1)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000159682869 539583681 /nfs/dbraw/zinc/58/36/81/539583681.db2.gz SWMCEYJXTKHIFE-SECBINFHSA-N 0 0 318.295 2.164 20 70 DEIDRN Cc1nccc(NC(=O)NC[C@@H](O)COCC(C)C)c1Cl ZINC000159898367 539584235 /nfs/dbraw/zinc/58/42/35/539584235.db2.gz UDDZJJZQKPRRNK-LLVKDONJSA-N 0 0 315.801 2.198 20 70 DEIDRN O=C(Nc1ccccc1Cl)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000160703112 539587237 /nfs/dbraw/zinc/58/72/37/539587237.db2.gz SZGJEWGVOJYWDD-CMPLNLGQSA-N 0 0 307.781 2.472 20 70 DEIDRN CCC(CC)(CO)CNC(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000160764159 539588012 /nfs/dbraw/zinc/58/80/12/539588012.db2.gz LAPYHMQRNBOIBD-UHFFFAOYSA-N 0 0 319.409 2.197 20 70 DEIDRN Cc1nn(C)c2ncc(NC(=O)NCc3ncccc3F)cc12 ZINC000160099111 539584725 /nfs/dbraw/zinc/58/47/25/539584725.db2.gz XQSVRGCPOURVTJ-UHFFFAOYSA-N 0 0 314.324 2.133 20 70 DEIDRN CC(C)c1nc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)c[nH]1 ZINC000160183223 539585738 /nfs/dbraw/zinc/58/57/38/539585738.db2.gz KXZSIGFTCNNMCB-SNVBAGLBSA-N 0 0 309.391 2.278 20 70 DEIDRN CC[C@H](NC(=O)Nc1ccc(CC(=O)NC)cc1)[C@@H]1CCCO1 ZINC000160497001 539586544 /nfs/dbraw/zinc/58/65/44/539586544.db2.gz YTCUQGWUOQTSFX-GJZGRUSLSA-N 0 0 319.405 2.054 20 70 DEIDRN Cc1cc(C[C@H](C)NC(=O)c2cc(F)cc3[nH]cnc32)[nH]n1 ZINC000161467152 539591913 /nfs/dbraw/zinc/59/19/13/539591913.db2.gz QPAONMNWZLVJGT-QMMMGPOBSA-N 0 0 301.325 2.095 20 70 DEIDRN COC[C@@H](O)CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000159533731 186125504 /nfs/dbraw/zinc/12/55/04/186125504.db2.gz ROSBNEDLMDTSQT-GDPRMGEGSA-N 0 0 318.200 2.220 20 70 DEIDRN C[C@@H]1CN(C(=O)c2cccc(NC(=O)N(C)C)c2)[C@@H](C)CO1 ZINC000159573338 186128229 /nfs/dbraw/zinc/12/82/29/186128229.db2.gz PBNRRCYJWRIMPD-NWDGAFQWSA-N 0 0 305.378 2.030 20 70 DEIDRN CN(C(=O)NC[C@H]1CCCS1)[C@@H]1CCCc2c1cnn2C ZINC000159584173 186128810 /nfs/dbraw/zinc/12/88/10/186128810.db2.gz RVVWTSADSWCLNK-DGCLKSJQSA-N 0 0 308.451 2.335 20 70 DEIDRN C[C@H](CO)CNS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000159695615 186135986 /nfs/dbraw/zinc/13/59/86/186135986.db2.gz WNBRGMCFMCKWAZ-ZDUSSCGKSA-N 0 0 305.399 2.260 20 70 DEIDRN CSCc1cccc(NC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000159589370 355962100 /nfs/dbraw/zinc/96/21/00/355962100.db2.gz QOWFMTAEMLSQGY-DOMZBBRYSA-N 0 0 323.462 2.390 20 70 DEIDRN CC(C)(C)c1cnc([S@](=O)CCCCS(C)(=O)=O)s1 ZINC000160487863 355964984 /nfs/dbraw/zinc/96/49/84/355964984.db2.gz RHHXMAJRJURDOX-SFHVURJKSA-N 0 0 323.505 2.373 20 70 DEIDRN COc1ccc([C@@H](C)NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000217288147 201513116 /nfs/dbraw/zinc/51/31/16/201513116.db2.gz WSBUIMHBQRGTRR-TZMCWYRMSA-N 0 0 319.405 2.065 20 70 DEIDRN CSC[C@@](C)(O)CNC(=O)c1ccc(COC(C)C)cc1 ZINC000217712901 201521937 /nfs/dbraw/zinc/52/19/37/201521937.db2.gz MGFBGKPLNMOPLE-INIZCTEOSA-N 0 0 311.447 2.455 20 70 DEIDRN CSC[C@](C)(O)CNC(=O)CCc1c[nH]c2ccccc12 ZINC000217715063 201524385 /nfs/dbraw/zinc/52/43/85/201524385.db2.gz WTRGWUDYZZKRIN-MRXNPFEDSA-N 0 0 306.431 2.331 20 70 DEIDRN CCC(CC)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000161215861 197475316 /nfs/dbraw/zinc/47/53/16/197475316.db2.gz WGIAODIIDAATHX-CYBMUJFWSA-N 0 0 304.390 2.353 20 70 DEIDRN CSc1cccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c1 ZINC000161165881 197471857 /nfs/dbraw/zinc/47/18/57/197471857.db2.gz JAWQFJPWWVUITH-LLVKDONJSA-N 0 0 322.430 2.278 20 70 DEIDRN COc1ccc(Cl)cc1CS(=O)(=O)Cc1nccn1C ZINC000161170809 197471584 /nfs/dbraw/zinc/47/15/84/197471584.db2.gz CZPJPJVLJPBNPC-UHFFFAOYSA-N 0 0 314.794 2.197 20 70 DEIDRN Cc1conc1NC(=O)C(=O)NCC(C)(C)c1ccccc1C ZINC000160944068 197452369 /nfs/dbraw/zinc/45/23/69/197452369.db2.gz ALBIXEDPMBTIOJ-UHFFFAOYSA-N 0 0 315.373 2.324 20 70 DEIDRN COCC[C@@H](C)NC(=O)NCCCc1cc(OC)ccc1OC ZINC000160864984 197445245 /nfs/dbraw/zinc/44/52/45/197445245.db2.gz HPKPHTNAALEFKQ-CYBMUJFWSA-N 0 0 324.421 2.361 20 70 DEIDRN COC(=O)Cn1cc(NC(=O)c2cccc(C)c2Cl)cn1 ZINC000160405988 197406871 /nfs/dbraw/zinc/40/68/71/197406871.db2.gz ROIUJYVJSZXISO-UHFFFAOYSA-N 0 0 307.737 2.270 20 70 DEIDRN Cc1conc1NC(=O)C(=O)N(C)Cc1ccccc1Cl ZINC000160334965 197402229 /nfs/dbraw/zinc/40/22/29/197402229.db2.gz QQOPFYFAKHASQC-UHFFFAOYSA-N 0 0 307.737 2.234 20 70 DEIDRN CCc1ccc(CNC(=O)C(=O)Nc2ccc(C)nc2)s1 ZINC000160305609 197398977 /nfs/dbraw/zinc/39/89/77/197398977.db2.gz RJVLDSOOSJIASX-UHFFFAOYSA-N 0 0 303.387 2.269 20 70 DEIDRN CCOC(=O)C[C@H](C)NC(=O)/C=C/c1ccc(NC(C)=O)cc1 ZINC000160270238 197396480 /nfs/dbraw/zinc/39/64/80/197396480.db2.gz SOJUEKFXVMEPES-PMDBQALLSA-N 0 0 318.373 2.116 20 70 DEIDRN CCn1cc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)cn1 ZINC000160279383 197397289 /nfs/dbraw/zinc/39/72/89/197397289.db2.gz FPDYDGLQNOHEDW-UHFFFAOYSA-N 0 0 300.362 2.294 20 70 DEIDRN CC(C)(C)OC(=O)N(CC(=O)NC1(CO)CC1)c1ccccc1 ZINC000160231396 197393971 /nfs/dbraw/zinc/39/39/71/197393971.db2.gz UTZHZVCPDXVVJY-UHFFFAOYSA-N 0 0 320.389 2.069 20 70 DEIDRN O=C(NCC1(C2CC2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000160224093 197393985 /nfs/dbraw/zinc/39/39/85/197393985.db2.gz BJAWUIQZDFSDHU-OAHLLOKOSA-N 0 0 312.413 2.342 20 70 DEIDRN CC(C)C[C@H](CO)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160175122 197391825 /nfs/dbraw/zinc/39/18/25/197391825.db2.gz JOZUPYFCVNXWOT-GDBMZVCRSA-N 0 0 322.405 2.383 20 70 DEIDRN CCc1nnsc1C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000160182493 197391591 /nfs/dbraw/zinc/39/15/91/197391591.db2.gz QYSCRSCAKAINEX-DGCLKSJQSA-N 0 0 319.430 2.385 20 70 DEIDRN C[C@]1(NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCOC1 ZINC000160235398 197394613 /nfs/dbraw/zinc/39/46/13/197394613.db2.gz RKIOIQDBAXDOAC-INIZCTEOSA-N 0 0 303.362 2.336 20 70 DEIDRN Cc1conc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000160226554 197394283 /nfs/dbraw/zinc/39/42/83/197394283.db2.gz SVUYUVHKMQFKDZ-UVWXRNBGSA-N 0 0 305.378 2.253 20 70 DEIDRN CCOC(=O)C[C@@H](C)NC(=O)CCCOc1cccc(F)c1 ZINC000160047557 197382179 /nfs/dbraw/zinc/38/21/79/197382179.db2.gz NDVPBPNLEAGCQK-GFCCVEGCSA-N 0 0 311.353 2.443 20 70 DEIDRN CC[C@@H](C(=O)N[C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1 ZINC000160040253 197382276 /nfs/dbraw/zinc/38/22/76/197382276.db2.gz UUMGKJBZNNRXOQ-HUUCEWRRSA-N 0 0 306.381 2.445 20 70 DEIDRN C[C@@H](O)C[C@@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000160145969 197388745 /nfs/dbraw/zinc/38/87/45/197388745.db2.gz QMUXUIMTYCEXDE-OCCSQVGLSA-N 0 0 315.377 2.035 20 70 DEIDRN C[C@]1(O)CCCN(C(=O)NCc2ccccc2OC(F)F)C1 ZINC000160093782 197385278 /nfs/dbraw/zinc/38/52/78/197385278.db2.gz IFBMWAMYJQUKTI-HNNXBMFYSA-N 0 0 314.332 2.344 20 70 DEIDRN CC(C)NC(=O)c1ccc(C(=O)NC2(C)CCOCC2)cc1 ZINC000160085705 197384660 /nfs/dbraw/zinc/38/46/60/197384660.db2.gz JMYDGQPXSOCDGU-UHFFFAOYSA-N 0 0 304.390 2.124 20 70 DEIDRN CCCn1c(CO)nnc1Sc1nc(C(C)(C)C)ns1 ZINC000160027556 197380165 /nfs/dbraw/zinc/38/01/65/197380165.db2.gz LAKNTDNCLAJGAO-UHFFFAOYSA-N 0 0 313.452 2.481 20 70 DEIDRN COC(=O)c1cccc(NC(=O)N2CCC[C@H]2C[C@H](C)O)c1 ZINC000160018175 197380210 /nfs/dbraw/zinc/38/02/10/197380210.db2.gz NHMUNROWSFJGRY-FZMZJTMJSA-N 0 0 306.362 2.240 20 70 DEIDRN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159974157 197377999 /nfs/dbraw/zinc/37/79/99/197377999.db2.gz LQBVOWGGWGVCKE-GXTWGEPZSA-N 0 0 320.389 2.006 20 70 DEIDRN CCN(CCS(C)(=O)=O)C(=O)Nc1cc(F)ccc1C ZINC000159933376 197374775 /nfs/dbraw/zinc/37/47/75/197374775.db2.gz QUKNLXZZLIFOIB-UHFFFAOYSA-N 0 0 302.371 2.033 20 70 DEIDRN COCCOc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cn1 ZINC000159911495 197372628 /nfs/dbraw/zinc/37/26/28/197372628.db2.gz LDSWXDOARGDMMT-SMDDNHRTSA-N 0 0 306.362 2.051 20 70 DEIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000159843964 197368559 /nfs/dbraw/zinc/36/85/59/197368559.db2.gz QEOIOQOITUWKRF-SWLSCSKDSA-N 0 0 310.419 2.278 20 70 DEIDRN CN(C)c1cccc(CN(C)CC(=O)N(C)CC(F)(F)F)c1 ZINC000159822827 197367474 /nfs/dbraw/zinc/36/74/74/197367474.db2.gz QJAPJXYLMZQATL-UHFFFAOYSA-N 0 0 317.355 2.205 20 70 DEIDRN Cc1nccn1CCCCNC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000159380336 291653699 /nfs/dbraw/zinc/65/36/99/291653699.db2.gz KKGLYRPYNJBPCD-CHWSQXEVSA-N 0 0 308.426 2.227 20 70 DEIDRN Cc1cc(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)c[nH]c1=O ZINC000159552592 291656168 /nfs/dbraw/zinc/65/61/68/291656168.db2.gz ARTBTAYMXGTNCG-GFCCVEGCSA-N 0 0 319.405 2.097 20 70 DEIDRN CC(=O)N1CC[C@@H](NC(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000159770267 291658474 /nfs/dbraw/zinc/65/84/74/291658474.db2.gz VSDZYYNEALGDBK-NNNHXZLVSA-N 0 0 315.398 2.047 20 70 DEIDRN CCn1c(S[C@H](C(N)=O)C(C)C)nc2ccc(F)cc2c1=O ZINC000159810716 291659718 /nfs/dbraw/zinc/65/97/18/291659718.db2.gz CKARRAJUJXVRRE-LBPRGKRZSA-N 0 0 323.393 2.158 20 70 DEIDRN O=C(CSc1ccncc1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000160018658 291661671 /nfs/dbraw/zinc/66/16/71/291661671.db2.gz PCXMALADCCVUCY-JTQLQIEISA-N 0 0 306.347 2.047 20 70 DEIDRN CSCC[C@H](CO)NC(=O)CCc1nc2ccccc2s1 ZINC000159902533 291660763 /nfs/dbraw/zinc/66/07/63/291660763.db2.gz FLLYKIRXFRRJHG-LLVKDONJSA-N 0 0 324.471 2.459 20 70 DEIDRN CC(C)OCCCCNC(=O)c1cnc(C(F)(F)F)nc1 ZINC000160281424 291664808 /nfs/dbraw/zinc/66/48/08/291664808.db2.gz GEHOSCDTAOYSEA-UHFFFAOYSA-N 0 0 305.300 2.430 20 70 DEIDRN Cc1nnc2ccc(C(=O)N(C)c3ccc4c(c3)OCO4)cn12 ZINC000160437071 291666992 /nfs/dbraw/zinc/66/69/92/291666992.db2.gz JBQUGCGVJUMDLC-UHFFFAOYSA-N 0 0 310.313 2.043 20 70 DEIDRN CCOC(=O)NCCCC(=O)N[C@@H](C)COc1cccc(C)c1 ZINC000160573501 291668377 /nfs/dbraw/zinc/66/83/77/291668377.db2.gz ABPTWCOVPKZCRY-AWEZNQCLSA-N 0 0 322.405 2.405 20 70 DEIDRN COC[C@H](NC(=O)c1c(C)onc1-c1ccncc1)C(C)C ZINC000160776512 291669750 /nfs/dbraw/zinc/66/97/50/291669750.db2.gz HNXFYGHHMOXHHV-ZDUSSCGKSA-N 0 0 303.362 2.446 20 70 DEIDRN CC[C@@H](NC(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCCO1 ZINC000160935785 291671115 /nfs/dbraw/zinc/67/11/15/291671115.db2.gz GNDLBHSIGYZWBU-ZIAGYGMSSA-N 0 0 315.377 2.346 20 70 DEIDRN CC(C)NC(=O)c1ccc(C(=O)Nc2nnc3ccccn32)cc1 ZINC000161073294 291671747 /nfs/dbraw/zinc/67/17/47/291671747.db2.gz QQUYNVKMQZSGJI-UHFFFAOYSA-N 0 0 323.356 2.120 20 70 DEIDRN CCc1cc(NC(=O)CCc2nc([C@H](C)OC)no2)nc(C)n1 ZINC000160849753 291670589 /nfs/dbraw/zinc/67/05/89/291670589.db2.gz MPZIHAHCFUAXFF-VIFPVBQESA-N 0 0 319.365 2.009 20 70 DEIDRN CCCN(CC)c1ccc(C(=O)N[C@H](CO)CC(C)C)cn1 ZINC000160865918 291670592 /nfs/dbraw/zinc/67/05/92/291670592.db2.gz UELDBCAFWKFNTE-HNNXBMFYSA-N 0 0 307.438 2.455 20 70 DEIDRN CN(C[C@H]1CCC[C@H]1O)C(=O)NCCc1ccc(F)cc1F ZINC000161192606 291673343 /nfs/dbraw/zinc/67/33/43/291673343.db2.gz VXZXZSMITJECPO-IUODEOHRSA-N 0 0 312.360 2.310 20 70 DEIDRN Cc1cscc1NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000161176281 291673379 /nfs/dbraw/zinc/67/33/79/291673379.db2.gz MLQNDAAENYJSLR-UHFFFAOYSA-N 0 0 314.388 2.152 20 70 DEIDRN COC(=O)[C@](C)(NC(=O)Cc1cc(F)c(F)cc1F)C1CC1 ZINC000161290626 291673989 /nfs/dbraw/zinc/67/39/89/291673989.db2.gz WHMQSHZWECFQHD-OAHLLOKOSA-N 0 0 315.291 2.104 20 70 DEIDRN COc1ccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000159776352 197363590 /nfs/dbraw/zinc/36/35/90/197363590.db2.gz JVRSERTWJMTSEJ-AWEZNQCLSA-N 0 0 312.373 2.491 20 70 DEIDRN CC(C)(C)C[C@H](CO)NC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000159494982 197357504 /nfs/dbraw/zinc/35/75/04/197357504.db2.gz FVKHIGQSIWCLMT-CYBMUJFWSA-N 0 0 317.393 2.186 20 70 DEIDRN C[C@H]1CSc2ccccc2N(C(=O)CN2CSCC2=O)C1 ZINC000159559834 197361474 /nfs/dbraw/zinc/36/14/74/197361474.db2.gz VPCKLIOZNHQXTI-LLVKDONJSA-N 0 0 322.455 2.294 20 70 DEIDRN Cc1nc(NC(=O)c2cnn(-c3cc(C)ccc3C)c2C)n[nH]1 ZINC000159518392 197359938 /nfs/dbraw/zinc/35/99/38/197359938.db2.gz 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ZINC000159509824 402324519 /nfs/dbraw/zinc/32/45/19/402324519.db2.gz PJJQUTQHFFLHOD-UHFFFAOYSA-N 0 0 319.401 2.402 20 70 DEIDRN Cn1ccc(NC(=O)Nc2ccccc2SCCC(N)=O)n1 ZINC000159548976 402325130 /nfs/dbraw/zinc/32/51/30/402325130.db2.gz DIOZWKLXFXOZHS-UHFFFAOYSA-N 0 0 319.390 2.032 20 70 DEIDRN O=C1[C@H](Sc2nnc(C3CC3)[nH]2)CCCN1CC(F)(F)F ZINC000159537842 402325433 /nfs/dbraw/zinc/32/54/33/402325433.db2.gz WAOOATHZXNBKFC-MRVPVSSYSA-N 0 0 320.340 2.328 20 70 DEIDRN CCOC(=O)CCc1ccc(NC(=O)N2CCC[C@H]2CO)cc1 ZINC000159597412 402326214 /nfs/dbraw/zinc/32/62/14/402326214.db2.gz IBPNUGWNRFHLFC-HNNXBMFYSA-N 0 0 320.389 2.171 20 70 DEIDRN FC(F)c1nnc2ccc(N[C@H]3CCO[C@H](C4CC4)C3)nn21 ZINC000160287252 402339780 /nfs/dbraw/zinc/33/97/80/402339780.db2.gz WSNATFWKZDUKMX-UWVGGRQHSA-N 0 0 309.320 2.431 20 70 DEIDRN CC(C)(C)CN(CCCO)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160324670 402340697 /nfs/dbraw/zinc/34/06/97/402340697.db2.gz BERAUQINHFTJJZ-CABCVRRESA-N 0 0 312.454 2.384 20 70 DEIDRN Cc1nc(CS(=O)(=O)c2ncc(C(C)(C)C)s2)no1 ZINC000160373070 402342568 /nfs/dbraw/zinc/34/25/68/402342568.db2.gz ZTJBLUMIQUDCFH-UHFFFAOYSA-N 0 0 301.393 2.106 20 70 DEIDRN Cc1nc(CCC(=O)N(C)[C@H](C)CO)oc1-c1ccccc1 ZINC000160370453 402342601 /nfs/dbraw/zinc/34/26/01/402342601.db2.gz QVWDDHULDFFYFW-GFCCVEGCSA-N 0 0 302.374 2.422 20 70 DEIDRN Cc1ccc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1C(N)=O ZINC000160397101 402344014 /nfs/dbraw/zinc/34/40/14/402344014.db2.gz DJWGOPKAQDYCMM-GHMZBOCLSA-N 0 0 305.378 2.171 20 70 DEIDRN C[C@H](CO)N(C)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000160423583 402344844 /nfs/dbraw/zinc/34/48/44/402344844.db2.gz BPOPOYPRGCAPDX-SFYZADRCSA-N 0 0 306.225 2.453 20 70 DEIDRN COc1ccc(/C=C/C(=O)N[C@@H](CCO)C(C)C)cc1OC ZINC000160498594 402348364 /nfs/dbraw/zinc/34/83/64/402348364.db2.gz SMZCBHDCXNELDC-OWNNVSBGSA-N 0 0 307.390 2.240 20 70 DEIDRN COC[C@H](O)CCNC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000161495831 402389202 /nfs/dbraw/zinc/38/92/02/402389202.db2.gz RNXCLHQNIRJUDU-OAHLLOKOSA-N 0 0 317.385 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/nfs/dbraw/zinc/36/53/80/402365380.db2.gz CTTMQJDHCDVXFP-INIZCTEOSA-N 0 0 318.417 2.316 20 70 DEIDRN CCn1c(SCc2nnc(C)n2C)nnc1-c1ccncc1 ZINC000160927489 402365785 /nfs/dbraw/zinc/36/57/85/402365785.db2.gz IPLQVTVJXKIEPT-UHFFFAOYSA-N 0 0 315.406 2.089 20 70 DEIDRN CN(C(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCSC1 ZINC000160934328 402366695 /nfs/dbraw/zinc/36/66/95/402366695.db2.gz SEZFRDUFHARPFL-LBPRGKRZSA-N 0 0 303.391 2.237 20 70 DEIDRN CCCCN1CCc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc21 ZINC000160974128 402367670 /nfs/dbraw/zinc/36/76/70/402367670.db2.gz LQMNCSMDTJVFES-CQSZACIVSA-N 0 0 301.390 2.066 20 70 DEIDRN C[C@@H](CCO)CNC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000160999977 402368735 /nfs/dbraw/zinc/36/87/35/402368735.db2.gz XZCUWLJPXUEHQG-ZDUSSCGKSA-N 0 0 317.389 2.194 20 70 DEIDRN CCOC(=O)C[C@@H](C)CNc1nc(C(C)C)nc(N(C)C)n1 ZINC000161021276 402369391 /nfs/dbraw/zinc/36/93/91/402369391.db2.gz DBCZEYKLHUJPIV-LLVKDONJSA-N 0 0 309.414 2.062 20 70 DEIDRN Cc1ncc(CNC(=O)c2cn(-c3cccc(C)c3)nn2)s1 ZINC000161046615 402370767 /nfs/dbraw/zinc/37/07/67/402370767.db2.gz AJKRBSYYGITWKZ-UHFFFAOYSA-N 0 0 313.386 2.271 20 70 DEIDRN CCN(Cc1cnn(C)c1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000161073275 402371309 /nfs/dbraw/zinc/37/13/09/402371309.db2.gz MOYKNOXXZKJCNL-OAHLLOKOSA-N 0 0 314.433 2.289 20 70 DEIDRN CCCCN1CCc2ccc(NC(=O)C(=O)NCCC)cc21 ZINC000161064814 402371570 /nfs/dbraw/zinc/37/15/70/402371570.db2.gz XEEILOAPPZOLRM-UHFFFAOYSA-N 0 0 303.406 2.314 20 70 DEIDRN CCCNC(=O)C1CCN(C(=O)C2(CCOCC)CCC2)CC1 ZINC000161076298 402371899 /nfs/dbraw/zinc/37/18/99/402371899.db2.gz APFKGTWQIHOEJW-UHFFFAOYSA-N 0 0 324.465 2.348 20 70 DEIDRN C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1)C1CCOCC1 ZINC000161082028 402372093 /nfs/dbraw/zinc/37/20/93/402372093.db2.gz CSLSCUCKABVZHN-SNVBAGLBSA-N 0 0 310.781 2.210 20 70 DEIDRN CCCN(Cc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000161116495 402373337 /nfs/dbraw/zinc/37/33/37/402373337.db2.gz FAYNNJVYXWVOET-NSHDSACASA-N 0 0 303.374 2.364 20 70 DEIDRN CCC1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000161106527 402373576 /nfs/dbraw/zinc/37/35/76/402373576.db2.gz SJVPCIVZIUQWBB-UHFFFAOYSA-N 0 0 324.402 2.122 20 70 DEIDRN Cc1[nH]c(=O)ccc1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000161126176 402373973 /nfs/dbraw/zinc/37/39/73/402373973.db2.gz VKSSSXLIZUNDHG-UHFFFAOYSA-N 0 0 317.414 2.403 20 70 DEIDRN CCc1c(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)[nH]c(C)c1C(C)=O ZINC000161140333 402374811 /nfs/dbraw/zinc/37/48/11/402374811.db2.gz YNZBNTKQAGSKAB-SECBINFHSA-N 0 0 316.405 2.481 20 70 DEIDRN Cn1ccnc1[C@H](O)C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000161153657 402375150 /nfs/dbraw/zinc/37/51/50/402375150.db2.gz XFMBQWXXYKYCSL-OAHLLOKOSA-N 0 0 320.437 2.208 20 70 DEIDRN Cc1ccccc1OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000161162257 402376119 /nfs/dbraw/zinc/37/61/19/402376119.db2.gz MCMXDQDOCCOSJJ-BFHYXJOUSA-N 0 0 315.369 2.464 20 70 DEIDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161178064 402376268 /nfs/dbraw/zinc/37/62/68/402376268.db2.gz GYVIBMPQWCEPNY-FZMZJTMJSA-N 0 0 317.368 2.135 20 70 DEIDRN COCC(C)(C)C(=O)NCc1ccccc1Cn1cccn1 ZINC000161191566 402376875 /nfs/dbraw/zinc/37/68/75/402376875.db2.gz PSGSBWSXUSUYJH-UHFFFAOYSA-N 0 0 301.390 2.220 20 70 DEIDRN CC(C)C[C@@H](C)NC(=O)Nc1ccccc1OCCC(N)=O ZINC000161211709 402377436 /nfs/dbraw/zinc/37/74/36/402377436.db2.gz PLZVIJAESIRVCQ-GFCCVEGCSA-N 0 0 307.394 2.497 20 70 DEIDRN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O ZINC000161212454 402377812 /nfs/dbraw/zinc/37/78/12/402377812.db2.gz CPBMCXMZRDPVDQ-GFCCVEGCSA-N 0 0 317.776 2.449 20 70 DEIDRN COC[C@@H](O)CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000161221922 402378072 /nfs/dbraw/zinc/37/80/72/402378072.db2.gz AAYYQNLVYWAGQH-LBPRGKRZSA-N 0 0 315.797 2.011 20 70 DEIDRN CC(C)CCOCCNC(=O)N1CCCN(CC(F)F)CC1 ZINC000161224372 402378312 /nfs/dbraw/zinc/37/83/12/402378312.db2.gz ZIYREFIQZNGGTK-UHFFFAOYSA-N 0 0 321.412 2.032 20 70 DEIDRN O=C(NCCc1c(F)cccc1F)N[C@H]1CCc2n[nH]cc2C1 ZINC000161224119 402378457 /nfs/dbraw/zinc/37/84/57/402378457.db2.gz XOJGRUBWLCVUMQ-NSHDSACASA-N 0 0 320.343 2.087 20 70 DEIDRN CC[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000161237904 402378843 /nfs/dbraw/zinc/37/88/43/402378843.db2.gz NUWFRNJZZNFOSS-RBSFLKMASA-N 0 0 310.438 2.132 20 70 DEIDRN COC(=O)c1coc(CN2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161274949 402380115 /nfs/dbraw/zinc/38/01/15/402380115.db2.gz UQYPJGUGFYFNQH-LBPRGKRZSA-N 0 0 321.295 2.201 20 70 DEIDRN O=C(C1=Cc2cc(F)ccc2OC1)N1CCOC[C@H]1C1CC1 ZINC000161283291 402380537 /nfs/dbraw/zinc/38/05/37/402380537.db2.gz YWIZTZGGNBUYIN-HNNXBMFYSA-N 0 0 303.333 2.239 20 70 DEIDRN Cc1conc1NC(=O)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000161320334 402382866 /nfs/dbraw/zinc/38/28/66/402382866.db2.gz SHAPYKLFRNQQEH-LLVKDONJSA-N 0 0 301.346 2.150 20 70 DEIDRN CCc1cccc(NC(=O)Cn2c(=O)onc2-c2cccnc2)c1 ZINC000161319091 402382883 /nfs/dbraw/zinc/38/28/83/402382883.db2.gz FFSXENJGMKJIEK-UHFFFAOYSA-N 0 0 324.340 2.099 20 70 DEIDRN CC1=C(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CCCO1 ZINC000161342799 402384141 /nfs/dbraw/zinc/38/41/41/402384141.db2.gz OTSBWRUCAIDNDR-UHFFFAOYSA-N 0 0 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