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NQFJCZQAYZQESX-SNVBAGLBSA-N 0 0 185.267 1.086 20 30 ADEDRN C=C[C@H](O)C(=O)N[C@H](C)[C@H](C)CC 667141893 487354353 /nfs/dbraw/zinc/35/43/53/487354353.db2.gz GZLDYKFAGBSZMN-HLTSFMKQSA-N 0 0 185.267 1.084 20 30 ADEDRN C=C[C@H](O)C(=O)N[C@@H](C)[C@@H](C)CC 667141892 487354502 /nfs/dbraw/zinc/35/45/02/487354502.db2.gz GZLDYKFAGBSZMN-CIUDSAMLSA-N 0 0 185.267 1.084 20 30 ADEDRN C=C[C@](C)(O)C(=O)NC[C@H](C)C1CC1 667153920 487355037 /nfs/dbraw/zinc/35/50/37/487355037.db2.gz ZNLIRQISQIEZEQ-KWQFWETISA-N 0 0 197.278 1.086 20 30 ADEDRN C=C[C@@](C)(O)C(=O)N[C@H](CC)CCC 667424519 487354868 /nfs/dbraw/zinc/35/48/68/487354868.db2.gz JKLPCXSZMXYZTB-MWLCHTKSSA-N 0 0 199.294 1.618 20 30 ADEDRN C=C[C@@](C)(O)C(=O)NC[C@H](C)C1CC1 667153918 487354943 /nfs/dbraw/zinc/35/49/43/487354943.db2.gz ZNLIRQISQIEZEQ-GZMMTYOYSA-N 0 0 197.278 1.086 20 30 ADEDRN C=C[C@@H](C)NC(=O)[C@H](CC(C)C)OC 667215227 487354965 /nfs/dbraw/zinc/35/49/65/487354965.db2.gz DTBRDAODUUGYCT-ZJUUUORDSA-N 0 0 199.294 1.738 20 30 ADEDRN C=C[C@H](C)NC(=O)[C@@H](CC(C)C)OC 667215226 487354974 /nfs/dbraw/zinc/35/49/74/487354974.db2.gz DTBRDAODUUGYCT-VHSXEESVSA-N 0 0 199.294 1.738 20 30 ADEDRN C=C[C@](C)(O)C(=O)N[C@@H](CC)CCC 667424520 487355044 /nfs/dbraw/zinc/35/50/44/487355044.db2.gz JKLPCXSZMXYZTB-ONGXEEELSA-N 0 0 199.294 1.618 20 30 ADEDRN C=C[C@@](C)(O)C(=O)N[C@@H](CC)CCC 667424517 487355046 /nfs/dbraw/zinc/35/50/46/487355046.db2.gz JKLPCXSZMXYZTB-GXSJLCMTSA-N 0 0 199.294 1.618 20 30 ADEDRN C=CCN(C)C(=O)[C@H](CC(C)C)OC 667380352 487355064 /nfs/dbraw/zinc/35/50/64/487355064.db2.gz UITVLJBZGGTFLI-JTQLQIEISA-N 0 0 199.294 1.692 20 30 ADEDRN C=CCN(C)C(=O)[C@@H](CC(C)C)OC 667380353 487355076 /nfs/dbraw/zinc/35/50/76/487355076.db2.gz UITVLJBZGGTFLI-SNVBAGLBSA-N 0 0 199.294 1.692 20 30 ADEDRN C=C[C@@H](C)NC(=O)[C@@H](CC(C)C)OC 667215224 487355115 /nfs/dbraw/zinc/35/51/15/487355115.db2.gz DTBRDAODUUGYCT-NXEZZACHSA-N 0 0 199.294 1.738 20 30 ADEDRN C=C[C@](C)(O)C(=O)N[C@H](CC)CCC 667424518 487355141 /nfs/dbraw/zinc/35/51/41/487355141.db2.gz JKLPCXSZMXYZTB-KOLCDFICSA-N 0 0 199.294 1.618 20 30 ADEDRN C=C[C@](C)(O)C(=O)NC[C@@H](C)C1CC1 667153919 487355162 /nfs/dbraw/zinc/35/51/62/487355162.db2.gz ZNLIRQISQIEZEQ-KCJUWKMLSA-N 0 0 197.278 1.086 20 30 ADEDRN C=C[C@@](C)(O)C(=O)NC[C@@H](C)C1CC1 667153921 487355171 /nfs/dbraw/zinc/35/51/71/487355171.db2.gz ZNLIRQISQIEZEQ-LDYMZIIASA-N 0 0 197.278 1.086 20 30 ADEDRN C=C[C@@H](O)C(=O)N[C@H](CC)CCC 667423852 487355210 /nfs/dbraw/zinc/35/52/10/487355210.db2.gz WWNMVTVRJKFBHY-RKDXNWHRSA-N 0 0 185.267 1.228 20 30 ADEDRN C=C[C@H](C)NC(=O)[C@H](CC(C)C)OC 667215225 487355214 /nfs/dbraw/zinc/35/52/14/487355214.db2.gz DTBRDAODUUGYCT-UWVGGRQHSA-N 0 0 199.294 1.738 20 30 ADEDRN C=C[C@H](O)C(=O)N[C@H](CC)CCC 667423849 487355225 /nfs/dbraw/zinc/35/52/25/487355225.db2.gz WWNMVTVRJKFBHY-BDAKNGLRSA-N 0 0 185.267 1.228 20 30 ADEDRN C=C[C@H](O)C(=O)N[C@@H](CC)CCC 667423851 487355245 /nfs/dbraw/zinc/35/52/45/487355245.db2.gz WWNMVTVRJKFBHY-IUCAKERBSA-N 0 0 185.267 1.228 20 30 ADEDRN C=C[C@@H](O)C(=O)N[C@@H](CC)CCC 667423850 487355273 /nfs/dbraw/zinc/35/52/73/487355273.db2.gz WWNMVTVRJKFBHY-DTWKUNHWSA-N 0 0 185.267 1.228 20 30 ADEDRN C=CCNC(=O)Nc1ccn(CC)n1 667691199 487356424 /nfs/dbraw/zinc/35/64/24/487356424.db2.gz UHAUUSLQXZYUHI-UHFFFAOYSA-N 0 0 194.238 1.211 20 30 ADEDRN C=C[C@H](O)C(=O)NC(C)(C)CCC 667645540 487356493 /nfs/dbraw/zinc/35/64/93/487356493.db2.gz SACJEIQKJHTLRT-QMMMGPOBSA-N 0 0 185.267 1.228 20 30 ADEDRN C=C[C@@H](O)C(=O)NC(C)(C)CCC 667645539 487356509 /nfs/dbraw/zinc/35/65/09/487356509.db2.gz SACJEIQKJHTLRT-MRVPVSSYSA-N 0 0 185.267 1.228 20 30 ADEDRN C=C[C@@H](O)C(=O)N(CC(C)C)C(C)C 667762326 487356511 /nfs/dbraw/zinc/35/65/11/487356511.db2.gz SXPBVFXWFRWJCP-SNVBAGLBSA-N 0 0 199.294 1.426 20 30 ADEDRN C=C[C@H](O)C(=O)N(CC(C)C)C(C)C 667762325 487356527 /nfs/dbraw/zinc/35/65/27/487356527.db2.gz SXPBVFXWFRWJCP-JTQLQIEISA-N 0 0 199.294 1.426 20 30 ADEDRN C=CCN(C)Cc1ccnn1CCC 668011260 487358326 /nfs/dbraw/zinc/35/83/26/487358326.db2.gz XYACAKBSLZREOY-UHFFFAOYSA-N 0 0 193.294 1.911 20 30 ADEDRN C=C[C@H](O)C(=O)N1CCC(C)(C)CC1 667984783 487358369 /nfs/dbraw/zinc/35/83/69/487358369.db2.gz AVKBXYCNKUBZHU-VIFPVBQESA-N 0 0 197.278 1.182 20 30 ADEDRN C=C[C@H](O)C(=O)N(C)CC(C)(C)C 667972574 487358406 /nfs/dbraw/zinc/35/84/06/487358406.db2.gz TYTVEYRRSLAXHD-QMMMGPOBSA-N 0 0 185.267 1.038 20 30 ADEDRN C=CCNC(=O)[C@H](CC(C)C)OC 667933203 487358408 /nfs/dbraw/zinc/35/84/08/487358408.db2.gz MISSMCSCTQXYDC-VIFPVBQESA-N 0 0 185.267 1.350 20 30 ADEDRN C=C(C)CNC(=O)[C@@H](CC(C)C)OC 667989032 487358423 /nfs/dbraw/zinc/35/84/23/487358423.db2.gz MLGJVOOYMNAEAK-SNVBAGLBSA-N 0 0 199.294 1.740 20 30 ADEDRN C=C[C@@H](O)C(=O)N1CCC(C)(C)CC1 667984781 487358424 /nfs/dbraw/zinc/35/84/24/487358424.db2.gz AVKBXYCNKUBZHU-SECBINFHSA-N 0 0 197.278 1.182 20 30 ADEDRN C=C[C@@](C)(O)C(=O)N(C)CC(C)(C)C 667971344 487358431 /nfs/dbraw/zinc/35/84/31/487358431.db2.gz LNFHGJOERLMHMQ-LLVKDONJSA-N 0 0 199.294 1.428 20 30 ADEDRN CC#CCNC(=O)[C@@H](CC(C)C)OC 667973706 487358445 /nfs/dbraw/zinc/35/84/45/487358445.db2.gz OMTYIBXXIQYZSP-SNVBAGLBSA-N 0 0 197.278 1.187 20 30 ADEDRN CC#CCNC(=O)[C@H](CC(C)C)OC 667973705 487358448 /nfs/dbraw/zinc/35/84/48/487358448.db2.gz OMTYIBXXIQYZSP-JTQLQIEISA-N 0 0 197.278 1.187 20 30 ADEDRN C=CCNC(=O)[C@@H](CC(C)C)OC 667933202 487358459 /nfs/dbraw/zinc/35/84/59/487358459.db2.gz MISSMCSCTQXYDC-SECBINFHSA-N 0 0 185.267 1.350 20 30 ADEDRN C=CCN(C)Cc1cnc(C)n1C 668011278 487358473 /nfs/dbraw/zinc/35/84/73/487358473.db2.gz YKERGVDRFGSDBM-UHFFFAOYSA-N 0 0 179.267 1.346 20 30 ADEDRN C=C[C@](C)(O)C(=O)N(C)CC(C)(C)C 667971345 487358505 /nfs/dbraw/zinc/35/85/05/487358505.db2.gz LNFHGJOERLMHMQ-NSHDSACASA-N 0 0 199.294 1.428 20 30 ADEDRN C=C[C@@H](O)C(=O)N(C)CC(C)(C)C 667972573 487358523 /nfs/dbraw/zinc/35/85/23/487358523.db2.gz TYTVEYRRSLAXHD-MRVPVSSYSA-N 0 0 185.267 1.038 20 30 ADEDRN C=C(C)CNC(=O)[C@H](CC(C)C)OC 667989031 487358554 /nfs/dbraw/zinc/35/85/54/487358554.db2.gz MLGJVOOYMNAEAK-JTQLQIEISA-N 0 0 199.294 1.740 20 30 ADEDRN C=C[C@H](O)C(=O)NC(C)(C)C(C)C 668114538 487359848 /nfs/dbraw/zinc/35/98/48/487359848.db2.gz WPGKWMJTKIJMME-QMMMGPOBSA-N 0 0 185.267 1.084 20 30 ADEDRN C=CCNC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C 668124162 487359853 /nfs/dbraw/zinc/35/98/53/487359853.db2.gz AARKWHUXZRWXGB-AEJSXWLSSA-N 0 0 196.294 1.858 20 30 ADEDRN C=C[C@@H](O)C(=O)NC(C)(C)C(C)C 668114537 487359861 /nfs/dbraw/zinc/35/98/61/487359861.db2.gz WPGKWMJTKIJMME-MRVPVSSYSA-N 0 0 185.267 1.084 20 30 ADEDRN C=CCNC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C 668124163 487360136 /nfs/dbraw/zinc/36/01/36/487360136.db2.gz AARKWHUXZRWXGB-GUBZILKMSA-N 0 0 196.294 1.858 20 30 ADEDRN C=CCNC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C 668124164 487360150 /nfs/dbraw/zinc/36/01/50/487360150.db2.gz AARKWHUXZRWXGB-IVZWLZJFSA-N 0 0 196.294 1.858 20 30 ADEDRN C=CCNC(=O)N1C[C@H](C)[C@H](C)[C@H]1C 668124165 487360170 /nfs/dbraw/zinc/36/01/70/487360170.db2.gz AARKWHUXZRWXGB-LPEHRKFASA-N 0 0 196.294 1.858 20 30 ADEDRN C=C[C@H](O)C(=O)N1[C@H](C)CCC[C@H]1C 668218322 487361144 /nfs/dbraw/zinc/36/11/44/487361144.db2.gz IARZMEROWVDTQI-BBBLOLIVSA-N 0 0 197.278 1.323 20 30 ADEDRN C=C[C@H](O)C(=O)N1[C@@H](C)CCC[C@H]1C 668218321 487361186 /nfs/dbraw/zinc/36/11/86/487361186.db2.gz IARZMEROWVDTQI-AEJSXWLSSA-N 0 0 197.278 1.323 20 30 ADEDRN C=C[C@H](O)C(=O)N1[C@@H](C)CCC[C@@H]1C 668218323 487361192 /nfs/dbraw/zinc/36/11/92/487361192.db2.gz IARZMEROWVDTQI-GUBZILKMSA-N 0 0 197.278 1.323 20 30 ADEDRN C=C[C@@H](O)C(=O)N1[C@@H](C)CCC[C@H]1C 668218324 487361212 /nfs/dbraw/zinc/36/12/12/487361212.db2.gz IARZMEROWVDTQI-KXUCPTDWSA-N 0 0 197.278 1.323 20 30 ADEDRN C=CCCS(=O)(=O)NC1CCC1 668224529 487361266 /nfs/dbraw/zinc/36/12/66/487361266.db2.gz KEEBMNQBICCQIE-UHFFFAOYSA-N 0 0 189.280 1.034 20 30 ADEDRN C=C[C@@H](O)C(=O)NCC(CC)CC 668305046 487361426 /nfs/dbraw/zinc/36/14/26/487361426.db2.gz CUYIMLUSEJRQNF-SECBINFHSA-N 0 0 185.267 1.086 20 30 ADEDRN C=C[C@@](C)(O)C(=O)NCC(CC)CC 668305565 487361444 /nfs/dbraw/zinc/36/14/44/487361444.db2.gz QFWJQYGQAGIGQB-LLVKDONJSA-N 0 0 199.294 1.476 20 30 ADEDRN C=C[C@](C)(O)C(=O)N[C@H]1CCC[C@H]1C 668320966 487361458 /nfs/dbraw/zinc/36/14/58/487361458.db2.gz LBBNREAXKFNYRP-YWVKMMECSA-N 0 0 197.278 1.228 20 30 ADEDRN C=C1CCN(C(=O)CCCF)CC1 668303343 487361490 /nfs/dbraw/zinc/36/14/90/487361490.db2.gz DUFQXMBITDAPQZ-UHFFFAOYSA-N 0 0 185.242 1.915 20 30 ADEDRN C=C[C@](C)(O)C(=O)N[C@@H]1CCC[C@H]1C 668320963 487361559 /nfs/dbraw/zinc/36/15/59/487361559.db2.gz LBBNREAXKFNYRP-KKZNHRDASA-N 0 0 197.278 1.228 20 30 ADEDRN C=C[C@](C)(O)C(=O)NCC(CC)CC 668305566 487361619 /nfs/dbraw/zinc/36/16/19/487361619.db2.gz QFWJQYGQAGIGQB-NSHDSACASA-N 0 0 199.294 1.476 20 30 ADEDRN C=C[C@](C)(O)C(=O)N[C@@H]1CCC[C@@H]1C 668320964 487361632 /nfs/dbraw/zinc/36/16/32/487361632.db2.gz LBBNREAXKFNYRP-NGZCFLSTSA-N 0 0 197.278 1.228 20 30 ADEDRN C=C[C@H](O)C(=O)NCC(CC)CC 668305047 487361746 /nfs/dbraw/zinc/36/17/46/487361746.db2.gz CUYIMLUSEJRQNF-VIFPVBQESA-N 0 0 185.267 1.086 20 30 ADEDRN C=C[C@](C)(O)C(=O)N[C@H]1CCC[C@@H]1C 668320965 487361764 /nfs/dbraw/zinc/36/17/64/487361764.db2.gz LBBNREAXKFNYRP-QXEWZRGKSA-N 0 0 197.278 1.228 20 30 ADEDRN C=C[C@](C)(O)C(=O)N1CCC(=C)CC1 668303575 487361768 /nfs/dbraw/zinc/36/17/68/487361768.db2.gz MEUAJBPPJIBHLK-NSHDSACASA-N 0 0 195.262 1.102 20 30 ADEDRN C=C1CCN(C(=O)c2ncc[nH]2)CC1 668303459 487361773 /nfs/dbraw/zinc/36/17/73/487361773.db2.gz IPJCZFZFESOGPY-UHFFFAOYSA-N 0 0 191.234 1.202 20 30 ADEDRN C=C[C@@](C)(O)C(=O)N1CCC(=C)CC1 668303574 487361780 /nfs/dbraw/zinc/36/17/80/487361780.db2.gz MEUAJBPPJIBHLK-LLVKDONJSA-N 0 0 195.262 1.102 20 30 ADEDRN C=C[C@@H](O)C(=O)NCC1(C)CCCC1 668487902 487362478 /nfs/dbraw/zinc/36/24/78/487362478.db2.gz XTGQHLXRYIUTLK-SECBINFHSA-N 0 0 197.278 1.230 20 30 ADEDRN C=C[C@H](O)C(=O)N[C@H]1CC[C@H](C)CC1 668459853 487362703 /nfs/dbraw/zinc/36/27/03/487362703.db2.gz NXXBVMVYAZABNF-GUBZILKMSA-N 0 0 197.278 1.228 20 30 ADEDRN C=C[C@H](O)C(=O)NCC1(C)CCCC1 668487903 487362769 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C=CCONC(=O)N1C[C@@H](C)C[C@H]1C 838706247 582720159 /nfs/dbraw/zinc/72/01/59/582720159.db2.gz MWNJHNMHSJKBNZ-DTWKUNHWSA-N 0 0 198.266 1.544 20 30 ADEDRN C=CCONC(=O)N[C@H](C)CC=C 838707234 582720160 /nfs/dbraw/zinc/72/01/60/582720160.db2.gz BXVSTWSDZCWCHV-MRVPVSSYSA-N 0 0 184.239 1.368 20 30 ADEDRN N#Cc1ccc(C(=O)OCCF)cc1 739326053 582720162 /nfs/dbraw/zinc/72/01/62/582720162.db2.gz VPBFOIFIZSDSHI-UHFFFAOYSA-N 0 0 193.177 1.685 20 30 ADEDRN C=CCONC(=O)NCCC1CC1 838706080 582720169 /nfs/dbraw/zinc/72/01/69/582720169.db2.gz KUFOKUZDAJKISQ-UHFFFAOYSA-N 0 0 184.239 1.203 20 30 ADEDRN C=CCONC(=O)N(C)CC1CC1 838703517 582720187 /nfs/dbraw/zinc/72/01/87/582720187.db2.gz FZLOOZIBDXLZBB-UHFFFAOYSA-N 0 0 184.239 1.155 20 30 ADEDRN C=CCONC(=O)N(C)[C@H](C)CC 838703746 582720201 /nfs/dbraw/zinc/72/02/01/582720201.db2.gz JUYWTTPNVYKUND-MRVPVSSYSA-N 0 0 186.255 1.544 20 30 ADEDRN C#C[C@H](NC(=O)N1CC[C@H]1C)C(C)C 838596517 582720205 /nfs/dbraw/zinc/72/02/05/582720205.db2.gz QYVYCZMBCRSBBK-ZJUUUORDSA-N 0 0 194.278 1.448 20 30 ADEDRN C=CCONC(=O)N[C@@H]1CCC[C@H]1C 838707746 582720207 /nfs/dbraw/zinc/72/02/07/582720207.db2.gz ONDQQTPZGAGCJH-RKDXNWHRSA-N 0 0 198.266 1.592 20 30 ADEDRN C=CCONC(=O)N(C)C1CCC1 838706030 582720214 /nfs/dbraw/zinc/72/02/14/582720214.db2.gz JJVZTPOHYSYPKH-UHFFFAOYSA-N 0 0 184.239 1.298 20 30 ADEDRN C=CCONC(=O)N1C[C@@H](C)[C@H](C)C1 838705924 582720223 /nfs/dbraw/zinc/72/02/23/582720223.db2.gz HSCCLOWXGJVFMV-RKDXNWHRSA-N 0 0 198.266 1.401 20 30 ADEDRN C#C[C@H](NC(=O)N1CC[C@@H]1C)C(C)C 838596515 582720225 /nfs/dbraw/zinc/72/02/25/582720225.db2.gz QYVYCZMBCRSBBK-UWVGGRQHSA-N 0 0 194.278 1.448 20 30 ADEDRN C=CCONC(=O)N(CC)C1CCC1 838708048 582720233 /nfs/dbraw/zinc/72/02/33/582720233.db2.gz LLEHCHJICKQJMI-UHFFFAOYSA-N 0 0 198.266 1.688 20 30 ADEDRN C=CCONC(=O)N(CC)C1CC1 838703877 582720251 /nfs/dbraw/zinc/72/02/51/582720251.db2.gz LUROWUPGRCMKNO-UHFFFAOYSA-N 0 0 184.239 1.298 20 30 ADEDRN CC(C)N=Nc1ccnc(N(C)C)n1 739414302 582720262 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39147534 166028506 /nfs/dbraw/zinc/02/85/06/166028506.db2.gz RMTYJCGSLFBOLU-UHFFFAOYSA-N 0 0 155.200 1.713 20 30 ADEDRN C#CCNc1cccc(CO)c1 39184764 166028529 /nfs/dbraw/zinc/02/85/29/166028529.db2.gz JLTYPANEQSYSDF-UHFFFAOYSA-N 0 0 161.204 1.224 20 30 ADEDRN C#CCNc1ncnc2c1CCC2 61277408 166028554 /nfs/dbraw/zinc/02/85/54/166028554.db2.gz XEUIIKLQMNCVKN-UHFFFAOYSA-N 0 0 173.219 1.010 20 30 ADEDRN C#CCNc1ccc(NC(C)=O)cc1 48936921 166028563 /nfs/dbraw/zinc/02/85/63/166028563.db2.gz SZPDGXZLJFZVMT-UHFFFAOYSA-N 0 0 188.230 1.690 20 30 ADEDRN C#CCNc1nnc(C)c(C)c1C#N 40290767 166028567 /nfs/dbraw/zinc/02/85/67/166028567.db2.gz NAAKFJXFEIQYJX-UHFFFAOYSA-N 0 0 186.218 1.010 20 30 ADEDRN C#CCNc1ccccn1 32302817 166028580 /nfs/dbraw/zinc/02/85/80/166028580.db2.gz MGRLLCKYVXQMAB-UHFFFAOYSA-N 0 0 132.166 1.127 20 30 ADEDRN C#CCNc1nc(CC)cs1 61894719 166028588 /nfs/dbraw/zinc/02/85/88/166028588.db2.gz KVLXUDCFDPAGTP-UHFFFAOYSA-N 0 0 166.249 1.751 20 30 ADEDRN C#CCNc1ccccc1[N+](=O)[O-] 47948256 166028622 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/nfs/dbraw/zinc/57/61/52/346576152.db2.gz UYGLMKALACSGTN-UHFFFAOYSA-N 0 0 191.296 1.234 20 30 ADEDRN CO[C@@H](C)C[N@H+](C)CCCC#N 393338907 346576288 /nfs/dbraw/zinc/57/62/88/346576288.db2.gz QLTTVDIZCBAJEZ-VIFPVBQESA-N 0 0 170.256 1.257 20 30 ADEDRN CO[C@H](C)C[N@H+](C)CCCC#N 393338906 346576465 /nfs/dbraw/zinc/57/64/65/346576465.db2.gz QLTTVDIZCBAJEZ-SECBINFHSA-N 0 0 170.256 1.257 20 30 ADEDRN C=CCOCC(=O)N(C)C(C)C 393355665 346576740 /nfs/dbraw/zinc/57/67/40/346576740.db2.gz QXKNGRXRVRYEJN-UHFFFAOYSA-N 0 0 171.240 1.056 20 30 ADEDRN C=CCCOCC(=O)NC(C)C 393350871 346576773 /nfs/dbraw/zinc/57/67/73/346576773.db2.gz YZNXHTLYHFPCKH-UHFFFAOYSA-N 0 0 171.240 1.104 20 30 ADEDRN CC#CCNC(=O)[C@@H](CC)SC 393349108 346576849 /nfs/dbraw/zinc/57/68/49/346576849.db2.gz MVHHOWUVZMCWRM-MRVPVSSYSA-N 0 0 185.292 1.268 20 30 ADEDRN CC#CCNC(=O)[C@H](CC)SC 393349109 346577063 /nfs/dbraw/zinc/57/70/63/346577063.db2.gz MVHHOWUVZMCWRM-QMMMGPOBSA-N 0 0 185.292 1.268 20 30 ADEDRN C=CCN(C)C(=O)C1(SC)CC1 393349990 346577228 /nfs/dbraw/zinc/57/72/28/346577228.db2.gz UBVQCDFJEWBUOT-UHFFFAOYSA-N 0 0 185.292 1.526 20 30 ADEDRN C=CCOCCSC[C@H](C)CO 393478729 346577544 /nfs/dbraw/zinc/57/75/44/346577544.db2.gz NGJOFAWNTRWVPO-SECBINFHSA-N 0 0 190.308 1.551 20 30 ADEDRN CNC(=S)NN=C1CC[C@H](C)C1 393415766 346577587 /nfs/dbraw/zinc/57/75/87/346577587.db2.gz AOOFXXSRQXAACX-LURJTMIESA-N 0 0 185.296 1.256 20 30 ADEDRN C=CCOCCSC[C@@H](C)CO 393478730 346577630 /nfs/dbraw/zinc/57/76/30/346577630.db2.gz NGJOFAWNTRWVPO-VIFPVBQESA-N 0 0 190.308 1.551 20 30 ADEDRN C=CCOCCS[C@@H](C)C(C)=O 393431348 346577654 /nfs/dbraw/zinc/57/76/54/346577654.db2.gz ITDRUAKQZYWREQ-VIFPVBQESA-N 0 0 188.292 1.900 20 30 ADEDRN CNC(=S)NN=C1CC[C@@H](C)C1 393415767 346577723 /nfs/dbraw/zinc/57/77/23/346577723.db2.gz AOOFXXSRQXAACX-ZCFIWIBFSA-N 0 0 185.296 1.256 20 30 ADEDRN C=CCOCCS[C@H](C)C(C)=O 393431346 346577794 /nfs/dbraw/zinc/57/77/94/346577794.db2.gz ITDRUAKQZYWREQ-SECBINFHSA-N 0 0 188.292 1.900 20 30 ADEDRN CC1(C)OCCC1=NNCC(F)F 393431370 346577815 /nfs/dbraw/zinc/57/78/15/346577815.db2.gz IUXZULLBAZNFGJ-UHFFFAOYSA-N 0 0 192.209 1.396 20 30 ADEDRN C=CCOCCSCC(=O)OC 393445116 346577855 /nfs/dbraw/zinc/57/78/55/346577855.db2.gz RSBFOIDFWDHZQD-UHFFFAOYSA-N 0 0 190.264 1.095 20 30 ADEDRN C=CCOCCCC(=O)N(C)CC 393538001 346578087 /nfs/dbraw/zinc/57/80/87/346578087.db2.gz LMSJCHCCZONTDI-UHFFFAOYSA-N 0 0 185.267 1.448 20 30 ADEDRN N#CCCCNC(=O)C1=CCCC1 393547230 346578147 /nfs/dbraw/zinc/57/81/47/346578147.db2.gz IUMDIUMCKAIHAB-UHFFFAOYSA-N 0 0 178.235 1.517 20 30 ADEDRN CCCC[C@H](C)N(C)C(=O)CC#N 393538028 346578165 /nfs/dbraw/zinc/57/81/65/346578165.db2.gz LSKMTSNNXIOCCP-VIFPVBQESA-N 0 0 182.267 1.937 20 30 ADEDRN N#CC1(CNCc2nccs2)CC1 393535659 346578262 /nfs/dbraw/zinc/57/82/62/346578262.db2.gz CMPOADBYZMKTQN-UHFFFAOYSA-N 0 0 193.275 1.536 20 30 ADEDRN C#CCON=C1CCS[C@@H]1C 393511124 346578413 /nfs/dbraw/zinc/57/84/13/346578413.db2.gz UHCXFMLUPLEDCU-SSDOTTSWSA-N 0 0 169.249 1.518 20 30 ADEDRN CCCC[C@@H](C)N(C)C(=O)CC#N 393538027 346578459 /nfs/dbraw/zinc/57/84/59/346578459.db2.gz LSKMTSNNXIOCCP-SECBINFHSA-N 0 0 182.267 1.937 20 30 ADEDRN CC#CCCNC(=O)C[C@@H](C)SC 393551145 346578724 /nfs/dbraw/zinc/57/87/24/346578724.db2.gz YYSCMBNKYJBBOI-SECBINFHSA-N 0 0 199.319 1.658 20 30 ADEDRN CC[C@H](C)NC(=O)NC[C@@H](C)C#N 393551523 346578726 /nfs/dbraw/zinc/57/87/26/346578726.db2.gz SJAVPMLVRCEPES-YUMQZZPRSA-N 0 0 183.255 1.244 20 30 ADEDRN CC[C@@H](C)NC(=O)NC[C@@H](C)C#N 393551520 346578803 /nfs/dbraw/zinc/57/88/03/346578803.db2.gz SJAVPMLVRCEPES-JGVFFNPUSA-N 0 0 183.255 1.244 20 30 ADEDRN CC[C@@H](C)NC(=O)NC[C@H](C)C#N 393551514 346578816 /nfs/dbraw/zinc/57/88/16/346578816.db2.gz SJAVPMLVRCEPES-HTQZYQBOSA-N 0 0 183.255 1.244 20 30 ADEDRN CC(C)(C#N)CC(=O)NCC(F)F 393559530 346578963 /nfs/dbraw/zinc/57/89/63/346578963.db2.gz XGSUTHSVKJOJMN-UHFFFAOYSA-N 0 0 190.193 1.308 20 30 ADEDRN C=CCCSc1nnnn1C(C)C 393549076 346579016 /nfs/dbraw/zinc/57/90/16/346579016.db2.gz 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