smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC[N@@H+](C)Cc1ccc(F)cc1)Cc1cccnc1 ZINC000161020842 522810300 /nfs/dbraw/zinc/81/03/00/522810300.db2.gz ICKVUKYZJSXGAB-UHFFFAOYSA-N 1 1 287.382 2.785 10 70 CFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000161306972 523601044 /nfs/dbraw/zinc/60/10/44/523601044.db2.gz BCFRAAHZJFUZHA-CQSZACIVSA-N 1 1 288.370 2.817 10 70 CFIEMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COC(C)(C)C)n1 ZINC000159801107 524850069 /nfs/dbraw/zinc/85/00/69/524850069.db2.gz CFOYUYFMOJDACN-HOCLYGCPSA-N 1 1 292.423 2.703 10 70 CFIEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1 ZINC000161045877 526923979 /nfs/dbraw/zinc/92/39/79/526923979.db2.gz DGXMLKAIWYLISL-CQSZACIVSA-N 1 1 289.354 2.972 10 70 CFIEMO CCSCC[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000160088936 378747049 /nfs/dbraw/zinc/74/70/49/378747049.db2.gz WSCSFDOZEKRIFH-AWEZNQCLSA-N 1 1 279.453 2.877 10 70 CFIEMO CC(C)C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160609875 394366782 /nfs/dbraw/zinc/36/67/82/394366782.db2.gz KRMWOINXIKMVDP-ZDUSSCGKSA-N 1 1 262.401 2.797 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC000160436374 322338033 /nfs/dbraw/zinc/33/80/33/322338033.db2.gz HNFPZTILGALOHG-CVEARBPZSA-N 1 1 296.455 2.572 10 70 CFIEMO CC[N@@H+](Cc1c(F)cccc1F)C[C@@](C)(O)CC ZINC000160814937 528761116 /nfs/dbraw/zinc/76/11/16/528761116.db2.gz YULYVHXGGBNIOK-AWEZNQCLSA-N 1 1 257.324 2.948 10 70 CFIEMO CC[C@](C)(O)C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000160775913 378797936 /nfs/dbraw/zinc/79/79/36/378797936.db2.gz NFYFTJCOTXMWNL-HOCLYGCPSA-N 1 1 263.381 2.646 10 70 CFIEMO C[C@@H]1CCC[N@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000159917158 524261288 /nfs/dbraw/zinc/26/12/88/524261288.db2.gz JATKATKYWRBAPD-CYBMUJFWSA-N 1 1 250.361 2.742 10 70 CFIEMO c1cc(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)[nH]n1 ZINC000160546543 526418399 /nfs/dbraw/zinc/41/83/99/526418399.db2.gz KZNDEXCUIOHJGC-UHFFFAOYSA-N 1 1 299.374 2.561 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1 ZINC000160423922 378771893 /nfs/dbraw/zinc/77/18/93/378771893.db2.gz SATDZYZFCXXVHA-MRXNPFEDSA-N 1 1 292.398 2.605 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccsc1 ZINC000160541966 378781100 /nfs/dbraw/zinc/78/11/00/378781100.db2.gz PQRZEIIDGCLUJW-CQSZACIVSA-N 1 1 280.437 2.527 10 70 CFIEMO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000160637829 378788236 /nfs/dbraw/zinc/78/82/36/378788236.db2.gz RIIKLSISVYVXRV-LSDHHAIUSA-N 1 1 283.799 2.874 10 70 CFIEMO Cc1ccc([C@H](O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160918648 378809104 /nfs/dbraw/zinc/80/91/04/378809104.db2.gz NCKZQOFCSLFUSP-KZNAEPCWSA-N 1 1 289.419 2.655 10 70 CFIEMO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCn1ccnc1 ZINC000159800099 378730598 /nfs/dbraw/zinc/73/05/98/378730598.db2.gz QULKECMLJAFZOR-MRXNPFEDSA-N 1 1 285.391 2.735 10 70 CFIEMO CCCCCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160511476 394366394 /nfs/dbraw/zinc/36/63/94/394366394.db2.gz XWSXJBHBRFWDNB-CQSZACIVSA-N 1 1 254.418 2.803 10 70 CFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000161382815 322350716 /nfs/dbraw/zinc/35/07/16/322350716.db2.gz GIIUXAVZUZVLRA-LRDDRELGSA-N 1 1 285.391 2.626 10 70 CFIEMO CCCC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000160189199 519876589 /nfs/dbraw/zinc/87/65/89/519876589.db2.gz AFFHBCULKYQJRL-HNNXBMFYSA-N 1 1 266.429 2.947 10 70 CFIEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCc1csc(C)n1 ZINC000218134945 523310371 /nfs/dbraw/zinc/31/03/71/523310371.db2.gz PQHUZIXYAYBCBH-JKSUJKDBSA-N 1 1 293.480 2.943 10 70 CFIEMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCc1csc(C)n1 ZINC000218134945 523310379 /nfs/dbraw/zinc/31/03/79/523310379.db2.gz PQHUZIXYAYBCBH-JKSUJKDBSA-N 1 1 293.480 2.943 10 70 CFIEMO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCc1csc(C)n1 ZINC000218134945 523310387 /nfs/dbraw/zinc/31/03/87/523310387.db2.gz PQHUZIXYAYBCBH-JKSUJKDBSA-N 1 1 293.480 2.943 10 70 CFIEMO COc1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000160655629 525935809 /nfs/dbraw/zinc/93/58/09/525935809.db2.gz PRNKDFPURNGGLB-UHFFFAOYSA-N 1 1 271.364 2.798 10 70 CFIEMO Cc1nc(CCN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cs1 ZINC000218133489 526814156 /nfs/dbraw/zinc/81/41/56/526814156.db2.gz PTUIRIWDHJORTB-WFASDCNBSA-N 1 1 279.453 2.553 10 70 CFIEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000160964414 527448977 /nfs/dbraw/zinc/44/89/77/527448977.db2.gz BHWLRHBMOSWVDJ-OAHLLOKOSA-N 1 1 295.390 2.504 10 70 CFIEMO CC[C@](C)(O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000161464216 529373819 /nfs/dbraw/zinc/37/38/19/529373819.db2.gz BXFSYTQQWXTCAS-ROUUACIJSA-N 1 1 291.435 2.871 10 70 CFIEMO CCc1nnc(C[NH2+][C@@H](C)c2cccc(Cl)c2)[nH]1 ZINC000160265156 378760480 /nfs/dbraw/zinc/76/04/80/378760480.db2.gz XSTOLCMXQBPXLB-VIFPVBQESA-N 1 1 264.760 2.871 10 70 CFIEMO C[C@H](C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)c1cccs1 ZINC000160268829 378760988 /nfs/dbraw/zinc/76/09/88/378760988.db2.gz XUEMWLHZVDLJQI-FRRDWIJNSA-N 1 1 278.421 2.547 10 70 CFIEMO CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@@](C)(O)CC ZINC000160462924 378774355 /nfs/dbraw/zinc/77/43/55/378774355.db2.gz KGTSYYHKFLSFDH-KRWDZBQOSA-N 1 1 292.423 2.807 10 70 CFIEMO CN(CC[N@@H+](C)[C@@H]1CCSC1)Cc1ccc(F)cc1 ZINC000161049299 378817781 /nfs/dbraw/zinc/81/77/81/378817781.db2.gz KLFAGJISGBNVCR-OAHLLOKOSA-N 1 1 282.428 2.695 10 70 CFIEMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H]1C1CCCCC1 ZINC000161339351 378841529 /nfs/dbraw/zinc/84/15/29/378841529.db2.gz VAOIMIXDNOUDJJ-JQFCIGGWSA-N 1 1 290.451 2.803 10 70 CFIEMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159999613 394365929 /nfs/dbraw/zinc/36/59/29/394365929.db2.gz SYWLWKIIQJYHAF-CQSZACIVSA-N 1 1 290.407 2.745 10 70 CFIEMO CN(C)c1nc(N[C@@H]2CCCc3cc(N)ccc32)cc[nH+]1 ZINC000159484376 273825948 /nfs/dbraw/zinc/82/59/48/273825948.db2.gz NOVVAYXEPQNYBS-CQSZACIVSA-N 1 1 283.379 2.614 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC000160436514 322337997 /nfs/dbraw/zinc/33/79/97/322337997.db2.gz HNFPZTILGALOHG-HZPDHXFCSA-N 1 1 296.455 2.572 10 70 CFIEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cnc4ccccn34)C2)c1 ZINC000160115609 526266093 /nfs/dbraw/zinc/26/60/93/526266093.db2.gz WVPWVKHLAOUNLV-OAHLLOKOSA-N 1 1 295.390 2.676 10 70 CFIEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1 ZINC000161045763 526920508 /nfs/dbraw/zinc/92/05/08/526920508.db2.gz DGXMLKAIWYLISL-AWEZNQCLSA-N 1 1 289.354 2.972 10 70 CFIEMO CC[C@](C)(O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000161109811 529373147 /nfs/dbraw/zinc/37/31/47/529373147.db2.gz DUKWRJCIXXKJQY-AWEZNQCLSA-N 1 1 255.789 2.975 10 70 CFIEMO COc1c(C[N@H+](C)Cc2ccc(C)cc2)c(C)nn1C ZINC000160638084 378787579 /nfs/dbraw/zinc/78/75/79/378787579.db2.gz JBFSYKMDWJFBRU-UHFFFAOYSA-N 1 1 273.380 2.678 10 70 CFIEMO COc1c(C[N@@H+](C)Cc2ccc(C)cc2)c(C)nn1C ZINC000160638084 378787585 /nfs/dbraw/zinc/78/75/85/378787585.db2.gz JBFSYKMDWJFBRU-UHFFFAOYSA-N 1 1 273.380 2.678 10 70 CFIEMO CC[C@](C)(O)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000161358499 378840980 /nfs/dbraw/zinc/84/09/80/378840980.db2.gz OWSHCPKWGXQBMH-JTQLQIEISA-N 1 1 282.331 2.755 10 70 CFIEMO CC[C@](C)(O)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000161358499 378840987 /nfs/dbraw/zinc/84/09/87/378840987.db2.gz OWSHCPKWGXQBMH-JTQLQIEISA-N 1 1 282.331 2.755 10 70 CFIEMO Cc1cc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc(C)c1O ZINC000217698927 382787425 /nfs/dbraw/zinc/78/74/25/382787425.db2.gz UJBHYFDRGIJGRW-HOTGVXAUSA-N 1 1 274.408 2.725 10 70 CFIEMO Cc1cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc(C)c1O ZINC000217698927 382787433 /nfs/dbraw/zinc/78/74/33/382787433.db2.gz UJBHYFDRGIJGRW-HOTGVXAUSA-N 1 1 274.408 2.725 10 70 CFIEMO CN(C)c1nc(N[C@H]2CCCc3cc(N)ccc32)cc[nH+]1 ZINC000159484512 276904562 /nfs/dbraw/zinc/90/45/62/276904562.db2.gz NOVVAYXEPQNYBS-AWEZNQCLSA-N 1 1 283.379 2.614 10 70 CFIEMO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000159774346 281356646 /nfs/dbraw/zinc/35/66/46/281356646.db2.gz HYTRYDZSVCMVQZ-TZMCWYRMSA-N 1 1 256.353 2.772 10 70 CFIEMO COC(=O)c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000160533400 522005031 /nfs/dbraw/zinc/00/50/31/522005031.db2.gz XWXCPXKVUIINRA-UHFFFAOYSA-N 1 1 299.374 2.576 10 70 CFIEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1 ZINC000161047480 526923653 /nfs/dbraw/zinc/92/36/53/526923653.db2.gz CRGXOYVLYDBKTL-CQSZACIVSA-N 1 1 289.354 2.972 10 70 CFIEMO CC[C@@](C)(O)C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000160819868 529507988 /nfs/dbraw/zinc/50/79/88/529507988.db2.gz APVNYOIMLUZVLP-MRXNPFEDSA-N 1 1 265.397 2.905 10 70 CFIEMO CCCn1nccc1C[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000159981176 540666186 /nfs/dbraw/zinc/66/61/86/540666186.db2.gz MVUCGFXQHZQOMK-QGZVFWFLSA-N 1 1 286.423 2.686 10 70 CFIEMO CC(C)C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160609738 378786339 /nfs/dbraw/zinc/78/63/39/378786339.db2.gz KRMWOINXIKMVDP-CYBMUJFWSA-N 1 1 262.401 2.797 10 70 CFIEMO CCc1ccc([C@H]2CCCC[N@H+]2CC(OC)OC)o1 ZINC000161236239 378832844 /nfs/dbraw/zinc/83/28/44/378832844.db2.gz PDWKTTRUXKJJNX-CYBMUJFWSA-N 1 1 267.369 2.988 10 70 CFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCOCCC(C)C)C1 ZINC000161412066 523604217 /nfs/dbraw/zinc/60/42/17/523604217.db2.gz VRLCXIPDAAROMQ-HNNXBMFYSA-N 1 1 294.443 2.540 10 70 CFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000161338333 523607058 /nfs/dbraw/zinc/60/70/58/523607058.db2.gz XTKXLDHIFHXACU-HNNXBMFYSA-N 1 1 270.380 2.678 10 70 CFIEMO CC[C@@](C)(O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000161109935 529508334 /nfs/dbraw/zinc/50/83/34/529508334.db2.gz DUKWRJCIXXKJQY-CQSZACIVSA-N 1 1 255.789 2.975 10 70 CFIEMO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000159718901 378726555 /nfs/dbraw/zinc/72/65/55/378726555.db2.gz PUCNRLWROLIVHK-INIZCTEOSA-N 1 1 297.402 2.791 10 70 CFIEMO Clc1ccc(C2=NO[C@@H](C[NH+]3CCSCC3)C2)cc1 ZINC000159751189 378728953 /nfs/dbraw/zinc/72/89/53/378728953.db2.gz GZGQPMMSWFLUOB-CYBMUJFWSA-N 1 1 296.823 2.882 10 70 CFIEMO Clc1ccc(C2=NO[C@H](C[NH+]3CCSCC3)C2)cc1 ZINC000159751087 378729041 /nfs/dbraw/zinc/72/90/41/378729041.db2.gz GZGQPMMSWFLUOB-ZDUSSCGKSA-N 1 1 296.823 2.882 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC1CCCC1 ZINC000160541443 322339443 /nfs/dbraw/zinc/33/94/43/322339443.db2.gz WJDRCKXELMRABE-OAHLLOKOSA-N 1 1 266.429 2.803 10 70 CFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000161274093 523604627 /nfs/dbraw/zinc/60/46/27/523604627.db2.gz STYXZTRXBAUVGT-ZDUSSCGKSA-N 1 1 250.390 2.524 10 70 CFIEMO c1n[nH]cc1[C@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000160408165 526592374 /nfs/dbraw/zinc/59/23/74/526592374.db2.gz DBFMYVZAKBSJGY-OAHLLOKOSA-N 1 1 281.363 2.785 10 70 CFIEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160408165 526592378 /nfs/dbraw/zinc/59/23/78/526592378.db2.gz DBFMYVZAKBSJGY-OAHLLOKOSA-N 1 1 281.363 2.785 10 70 CFIEMO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000159719106 378726169 /nfs/dbraw/zinc/72/61/69/378726169.db2.gz PUCNRLWROLIVHK-MRXNPFEDSA-N 1 1 297.402 2.791 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)nc1 ZINC000160514349 394366580 /nfs/dbraw/zinc/36/65/80/394366580.db2.gz IIANAQKWEXDZMO-CYBMUJFWSA-N 1 1 295.814 2.585 10 70 CFIEMO Cc1ccccc1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160434137 322338074 /nfs/dbraw/zinc/33/80/74/322338074.db2.gz PLSLMAYLYXJBKN-QGZVFWFLSA-N 1 1 288.435 2.774 10 70 CFIEMO Cc1cccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160559255 322339493 /nfs/dbraw/zinc/33/94/93/322339493.db2.gz HEGOIMQIOSGMGH-QGZVFWFLSA-N 1 1 288.435 2.774 10 70 CFIEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c(SC)c2)C1 ZINC000160989178 322346066 /nfs/dbraw/zinc/34/60/66/322346066.db2.gz LTDRACMYGRJGMB-LBPRGKRZSA-N 1 1 296.411 2.762 10 70 CFIEMO CCC[N@H+]1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159444791 519852030 /nfs/dbraw/zinc/85/20/30/519852030.db2.gz RUMFYBXHWJJDKX-UHFFFAOYSA-N 1 1 282.457 2.758 10 70 CFIEMO CN(CC[N@@H+](C)C[C@@H]1CCCOC1)Cc1ccc(F)cc1 ZINC000159556461 522810828 /nfs/dbraw/zinc/81/08/28/522810828.db2.gz DGANHNOCDHGHMF-INIZCTEOSA-N 1 1 294.414 2.616 10 70 CFIEMO CN(CC[N@@H+](C)CC1CCOCC1)Cc1ccc(F)cc1 ZINC000161352653 522813587 /nfs/dbraw/zinc/81/35/87/522813587.db2.gz LHRKVNKSDVUZIN-UHFFFAOYSA-N 1 1 294.414 2.616 10 70 CFIEMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCc1csc(C)n1 ZINC000218134865 523476930 /nfs/dbraw/zinc/47/69/30/523476930.db2.gz PQHUZIXYAYBCBH-HZPDHXFCSA-N 1 1 293.480 2.943 10 70 CFIEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCc1csc(C)n1 ZINC000218134865 523476933 /nfs/dbraw/zinc/47/69/33/523476933.db2.gz PQHUZIXYAYBCBH-HZPDHXFCSA-N 1 1 293.480 2.943 10 70 CFIEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCc1csc(C)n1 ZINC000218134865 523476942 /nfs/dbraw/zinc/47/69/42/523476942.db2.gz PQHUZIXYAYBCBH-HZPDHXFCSA-N 1 1 293.480 2.943 10 70 CFIEMO Cc1cccc(NC[C@@H]2CC[N@@H+](CCOCC3CC3)C2)n1 ZINC000160088232 524680288 /nfs/dbraw/zinc/68/02/88/524680288.db2.gz XQTNUUJBUAKCGK-INIZCTEOSA-N 1 1 289.423 2.550 10 70 CFIEMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161339688 526538434 /nfs/dbraw/zinc/53/84/34/526538434.db2.gz VAOIMIXDNOUDJJ-IAOVAPTHSA-N 1 1 290.451 2.803 10 70 CFIEMO Cn1c(C[NH+]2CCC(c3cc[nH]n3)CC2)nc2ccccc21 ZINC000160545717 527051839 /nfs/dbraw/zinc/05/18/39/527051839.db2.gz MQIIPQVUCXZNIY-UHFFFAOYSA-N 1 1 295.390 2.676 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccnc1Cl ZINC000160487691 378775531 /nfs/dbraw/zinc/77/55/31/378775531.db2.gz YQJJWFVDXKKYSO-GFCCVEGCSA-N 1 1 295.814 2.585 10 70 CFIEMO CC[C@](C)(O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000161279832 378836079 /nfs/dbraw/zinc/83/60/79/378836079.db2.gz YSDAHCUTJOLCMS-IRXDYDNUSA-N 1 1 277.408 2.686 10 70 CFIEMO Cc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000160440958 292091977 /nfs/dbraw/zinc/09/19/77/292091977.db2.gz VPMBXCSPILIILU-CQSZACIVSA-N 1 1 294.464 2.836 10 70 CFIEMO CCC[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160429822 322337922 /nfs/dbraw/zinc/33/79/22/322337922.db2.gz CJDKSKUTYSGTGR-UONOGXRCSA-N 1 1 254.418 2.659 10 70 CFIEMO CC[N@@H+](Cc1c(F)cccc1F)C[C@](C)(O)CC ZINC000160815046 528760335 /nfs/dbraw/zinc/76/03/35/528760335.db2.gz YULYVHXGGBNIOK-CQSZACIVSA-N 1 1 257.324 2.948 10 70 CFIEMO CC[C@](C)(O)C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000160637701 378787953 /nfs/dbraw/zinc/78/79/53/378787953.db2.gz RIIKLSISVYVXRV-GJZGRUSLSA-N 1 1 283.799 2.874 10 70 CFIEMO CC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161195797 378828919 /nfs/dbraw/zinc/82/89/19/378828919.db2.gz GYEQPUYMNRHACD-NWDGAFQWSA-N 1 1 259.271 2.833 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1 ZINC000160399716 188470199 /nfs/dbraw/zinc/47/01/99/188470199.db2.gz MJFHQKNAROIABV-MRXNPFEDSA-N 1 1 292.398 2.605 10 70 CFIEMO COC(C[N@H+]1CCCC[C@@H]1c1ccc(C)o1)OC ZINC000161235389 378832099 /nfs/dbraw/zinc/83/20/99/378832099.db2.gz JYFROGGLBDTDAD-GFCCVEGCSA-N 1 1 253.342 2.734 10 70 CFIEMO CCSCC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160078148 521706675 /nfs/dbraw/zinc/70/66/75/521706675.db2.gz QITGDABNQBAZKL-CYBMUJFWSA-N 1 1 294.468 2.895 10 70 CFIEMO CCSCC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160078148 521706678 /nfs/dbraw/zinc/70/66/78/521706678.db2.gz QITGDABNQBAZKL-CYBMUJFWSA-N 1 1 294.468 2.895 10 70 CFIEMO C[C@H](C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)c1cccs1 ZINC000160268956 378761110 /nfs/dbraw/zinc/76/11/10/378761110.db2.gz XUEMWLHZVDLJQI-RWMBFGLXSA-N 1 1 278.421 2.547 10 70 CFIEMO CCC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)[NH+](C)C ZINC000161172068 378828162 /nfs/dbraw/zinc/82/81/62/378828162.db2.gz LIRBXXZJXRMGRB-AWEZNQCLSA-N 1 1 262.353 2.558 10 70 CFIEMO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000159774693 281383284 /nfs/dbraw/zinc/38/32/84/281383284.db2.gz HYTRYDZSVCMVQZ-JSGCOSHPSA-N 1 1 256.353 2.772 10 70 CFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)[C@@H](C)C1 ZINC000160222559 322334721 /nfs/dbraw/zinc/33/47/21/322334721.db2.gz ZRYFZEDXPTWKIG-ZFWWWQNUSA-N 1 1 293.455 2.595 10 70 CFIEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCC(C)(C)CC1 ZINC000160386459 322337316 /nfs/dbraw/zinc/33/73/16/322337316.db2.gz MKWPZCBTNZVOKZ-UKRRQHHQSA-N 1 1 278.440 2.898 10 70 CFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000161339044 523600756 /nfs/dbraw/zinc/60/07/56/523600756.db2.gz WJTXNNMZABGWDC-CQSZACIVSA-N 1 1 288.370 2.817 10 70 CFIEMO C[C@H]1CCC[N@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000159917279 524121606 /nfs/dbraw/zinc/12/16/06/524121606.db2.gz JATKATKYWRBAPD-ZDUSSCGKSA-N 1 1 250.361 2.742 10 70 CFIEMO CC[C@](C)(O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000161174502 529374311 /nfs/dbraw/zinc/37/43/11/529374311.db2.gz VSVAFZNRDBZCPI-ZBFHGGJFSA-N 1 1 265.372 2.851 10 70 CFIEMO CC[C@@](C)(O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000161279956 378836290 /nfs/dbraw/zinc/83/62/90/378836290.db2.gz YSDAHCUTJOLCMS-DLBZAZTESA-N 1 1 277.408 2.686 10 70 CFIEMO CCOC(=O)CCCCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160511447 276276045 /nfs/dbraw/zinc/27/60/45/276276045.db2.gz RJLCMKCGKYPXLG-NVXWUHKLSA-N 1 1 297.439 2.737 10 70 CFIEMO CC(C)CCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160418876 322338059 /nfs/dbraw/zinc/33/80/59/322338059.db2.gz WNQOZUMKVACZFC-CQSZACIVSA-N 1 1 254.418 2.659 10 70 CFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000161414239 523604985 /nfs/dbraw/zinc/60/49/85/523604985.db2.gz FOJGINOTTMJYJF-AWEZNQCLSA-N 1 1 262.401 2.668 10 70 CFIEMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COC(C)(C)C)n1 ZINC000159801225 524896622 /nfs/dbraw/zinc/89/66/22/524896622.db2.gz CFOYUYFMOJDACN-GOEBONIOSA-N 1 1 292.423 2.703 10 70 CFIEMO CC1(O)CC[NH+](Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000161201302 528043396 /nfs/dbraw/zinc/04/33/96/528043396.db2.gz XLXJEDCLLQMOAF-UHFFFAOYSA-N 1 1 297.782 2.553 10 70 CFIEMO CC[C@](C)(O)C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000160819728 529373018 /nfs/dbraw/zinc/37/30/18/529373018.db2.gz APVNYOIMLUZVLP-INIZCTEOSA-N 1 1 265.397 2.905 10 70 CFIEMO CC[C@@](C)(O)C[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000160696236 378790961 /nfs/dbraw/zinc/79/09/61/378790961.db2.gz CQGXJVTUFLCOMR-QGZVFWFLSA-N 1 1 292.423 2.643 10 70 CFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000161342160 378841119 /nfs/dbraw/zinc/84/11/19/378841119.db2.gz QXARSRFMPXZCRS-DOMZBBRYSA-N 1 1 285.391 2.626 10 70 CFIEMO CC[C@](C)(O)C[NH+]1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000161497159 281292159 /nfs/dbraw/zinc/29/21/59/281292159.db2.gz WILBAKTUXLRKDM-ABHNRTSZSA-N 1 1 296.499 2.980 10 70 CFIEMO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000159774556 281356467 /nfs/dbraw/zinc/35/64/67/281356467.db2.gz HYTRYDZSVCMVQZ-OCCSQVGLSA-N 1 1 256.353 2.772 10 70 CFIEMO CCCn1ncnc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160259728 322335673 /nfs/dbraw/zinc/33/56/73/322335673.db2.gz NIOOSAOVPUMLJO-ZDUSSCGKSA-N 1 1 258.369 2.847 10 70 CFIEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCOc1cccc(F)c1)CC2 ZINC000160772086 322343120 /nfs/dbraw/zinc/34/31/20/322343120.db2.gz SVHSZFVJBZVBOX-PBHICJAKSA-N 1 1 293.382 2.832 10 70 CFIEMO CC[C@@](C)(O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000161174623 529509810 /nfs/dbraw/zinc/50/98/10/529509810.db2.gz VSVAFZNRDBZCPI-GDBMZVCRSA-N 1 1 265.372 2.851 10 70 CFIEMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000160136473 529690030 /nfs/dbraw/zinc/69/00/30/529690030.db2.gz SOXNAILJGNXKSW-STQMWFEESA-N 1 1 280.460 2.901 10 70 CFIEMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000160136473 529690032 /nfs/dbraw/zinc/69/00/32/529690032.db2.gz SOXNAILJGNXKSW-STQMWFEESA-N 1 1 280.460 2.901 10 70 CFIEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1noc3c1CCCC3)CC2 ZINC000161026737 541517268 /nfs/dbraw/zinc/51/72/68/541517268.db2.gz FLLTYMOGYYPKQK-DYVFJYSZSA-N 1 1 290.407 2.680 10 70 CFIEMO CCc1nnc(C[NH2+][C@H](C)c2ccc(CC)cc2)[nH]1 ZINC000160267190 378760969 /nfs/dbraw/zinc/76/09/69/378760969.db2.gz SWEAHPQXLJTKJG-LLVKDONJSA-N 1 1 258.369 2.780 10 70 CFIEMO CC[C@](C)(O)C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161332459 378838547 /nfs/dbraw/zinc/83/85/47/378838547.db2.gz GUGJOGGXANXRIW-ROUUACIJSA-N 1 1 290.451 2.601 10 70 CFIEMO CC[C@](C)(O)C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161332459 378838549 /nfs/dbraw/zinc/83/85/49/378838549.db2.gz GUGJOGGXANXRIW-ROUUACIJSA-N 1 1 290.451 2.601 10 70 CFIEMO CCCC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000160189074 519875554 /nfs/dbraw/zinc/87/55/54/519875554.db2.gz AFFHBCULKYQJRL-OAHLLOKOSA-N 1 1 266.429 2.947 10 70 CFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000161339176 523606744 /nfs/dbraw/zinc/60/67/44/523606744.db2.gz WJTXNNMZABGWDC-AWEZNQCLSA-N 1 1 288.370 2.817 10 70 CFIEMO Fc1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000160539325 526384709 /nfs/dbraw/zinc/38/47/09/526384709.db2.gz PTHZPUDFWPHVIZ-UHFFFAOYSA-N 1 1 259.328 2.928 10 70 CFIEMO C[N@H+](Cc1ccc2ccccc2n1)C[C@H]1CCC[C@@H]1O ZINC000159476863 378712692 /nfs/dbraw/zinc/71/26/92/378712692.db2.gz IJCRDYVQQNVRMV-PBHICJAKSA-N 1 1 270.376 2.828 10 70 CFIEMO CCc1cccc(CC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000160004022 322331575 /nfs/dbraw/zinc/33/15/75/322331575.db2.gz MGLBFJCNWQUEBO-QGZVFWFLSA-N 1 1 288.435 2.734 10 70 CFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000161382719 322350763 /nfs/dbraw/zinc/35/07/63/322350763.db2.gz GIIUXAVZUZVLRA-WBMJQRKESA-N 1 1 285.391 2.626 10 70 CFIEMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000161325494 521716787 /nfs/dbraw/zinc/71/67/87/521716787.db2.gz NRPMGCIBVUZCSA-FVQBIDKESA-N 1 1 278.440 2.661 10 70 CFIEMO CCc1noc(C)c1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161015346 522839848 /nfs/dbraw/zinc/83/98/48/522839848.db2.gz QOBSUZLEUGJGTB-CZUORRHYSA-N 1 1 278.396 2.672 10 70 CFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000161307082 523607412 /nfs/dbraw/zinc/60/74/12/523607412.db2.gz BCFRAAHZJFUZHA-AWEZNQCLSA-N 1 1 288.370 2.817 10 70 CFIEMO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000160408288 526591796 /nfs/dbraw/zinc/59/17/96/526591796.db2.gz DBFMYVZAKBSJGY-HNNXBMFYSA-N 1 1 281.363 2.785 10 70 CFIEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160408288 526591799 /nfs/dbraw/zinc/59/17/99/526591799.db2.gz DBFMYVZAKBSJGY-HNNXBMFYSA-N 1 1 281.363 2.785 10 70 CFIEMO CCCn1nccc1C[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000159981075 540666447 /nfs/dbraw/zinc/66/64/47/540666447.db2.gz MVUCGFXQHZQOMK-KRWDZBQOSA-N 1 1 286.423 2.686 10 70 CFIEMO CCSCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000160083090 378747546 /nfs/dbraw/zinc/74/75/46/378747546.db2.gz NKFVROXMMWKPHN-CYBMUJFWSA-N 1 1 265.426 2.569 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccs1 ZINC000160491761 378776457 /nfs/dbraw/zinc/77/64/57/378776457.db2.gz LXYHQVNQLPWBQJ-CYBMUJFWSA-N 1 1 280.437 2.527 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1F ZINC000160537006 378778720 /nfs/dbraw/zinc/77/87/20/378778720.db2.gz DYBBHIWTNLFQBU-OAHLLOKOSA-N 1 1 292.398 2.605 10 70 CFIEMO CCC[C@H](C(=O)Nc1cccc(C(=O)CC)c1)[NH+](C)C ZINC000161456897 378847515 /nfs/dbraw/zinc/84/75/15/378847515.db2.gz QOSXSMWUANDNRB-CQSZACIVSA-N 1 1 276.380 2.948 10 70 CFIEMO Cc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160562665 322339547 /nfs/dbraw/zinc/33/95/47/322339547.db2.gz SGSPJSZLCWRYRV-QGZVFWFLSA-N 1 1 288.435 2.774 10 70 CFIEMO CCOC[C@@H]1CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159987815 520130965 /nfs/dbraw/zinc/13/09/65/520130965.db2.gz UCMDAHVXQSRXSI-MRXNPFEDSA-N 1 1 294.414 2.616 10 70 CFIEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCOCC3CC3)C2)n1 ZINC000160088356 524684193 /nfs/dbraw/zinc/68/41/93/524684193.db2.gz XQTNUUJBUAKCGK-MRXNPFEDSA-N 1 1 289.423 2.550 10 70 CFIEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000161045498 526919038 /nfs/dbraw/zinc/91/90/38/526919038.db2.gz LNCXYOGBDZPTJA-HNNXBMFYSA-N 1 1 271.364 2.833 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccsc1 ZINC000160481272 378776180 /nfs/dbraw/zinc/77/61/80/378776180.db2.gz GTRBWZDJEIVJAL-OAHLLOKOSA-N 1 1 294.464 2.917 10 70 CFIEMO CC[C@](C)(O)C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000160693809 378791077 /nfs/dbraw/zinc/79/10/77/378791077.db2.gz YQHLPBGXLCPWIE-BPUTZDHNSA-N 1 1 263.381 2.609 10 70 CFIEMO CC[C@](C)(O)C[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000160696101 378791120 /nfs/dbraw/zinc/79/11/20/378791120.db2.gz CQGXJVTUFLCOMR-KRWDZBQOSA-N 1 1 292.423 2.643 10 70 CFIEMO CC[C@@](C)(O)C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161332609 378838917 /nfs/dbraw/zinc/83/89/17/378838917.db2.gz GUGJOGGXANXRIW-ZWKOTPCHSA-N 1 1 290.451 2.601 10 70 CFIEMO CC[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161332609 378838921 /nfs/dbraw/zinc/83/89/21/378838921.db2.gz GUGJOGGXANXRIW-ZWKOTPCHSA-N 1 1 290.451 2.601 10 70 CFIEMO CC1(C)CCC(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000159688470 322326964 /nfs/dbraw/zinc/32/69/64/322326964.db2.gz BUGGLZWGYUKFED-OAHLLOKOSA-N 1 1 278.440 2.900 10 70 CFIEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000160891689 322344793 /nfs/dbraw/zinc/34/47/93/322344793.db2.gz ZMVCCDZEDXIDNM-GFCCVEGCSA-N 1 1 276.409 2.565 10 70 CFIEMO Cc1csc([C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000160891689 322344796 /nfs/dbraw/zinc/34/47/96/322344796.db2.gz ZMVCCDZEDXIDNM-GFCCVEGCSA-N 1 1 276.409 2.565 10 70 CFIEMO CCc1nc(C[NH+]2CCC(c3cc[nH]n3)CC2)cs1 ZINC000160552652 522302872 /nfs/dbraw/zinc/30/28/72/522302872.db2.gz PGVKGOSZXAYIJO-UHFFFAOYSA-N 1 1 276.409 2.808 10 70 CFIEMO CCc1noc(C)c1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161015478 522838023 /nfs/dbraw/zinc/83/80/23/522838023.db2.gz QOBSUZLEUGJGTB-CJNGLKHVSA-N 1 1 278.396 2.672 10 70 CFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000161338203 523601184 /nfs/dbraw/zinc/60/11/84/523601184.db2.gz XTKXLDHIFHXACU-OAHLLOKOSA-N 1 1 270.380 2.678 10 70 CFIEMO Cc1ccc(C(=O)CC[N@H+]2[C@H](C)COC[C@@H]2C)cc1 ZINC000159795495 378730421 /nfs/dbraw/zinc/73/04/21/378730421.db2.gz OYHPXPIAMCABBK-OKILXGFUSA-N 1 1 261.365 2.677 10 70 CFIEMO Cc1ccc(C(=O)CC[N@@H+]2[C@H](C)COC[C@@H]2C)cc1 ZINC000159795495 378730426 /nfs/dbraw/zinc/73/04/26/378730426.db2.gz OYHPXPIAMCABBK-OKILXGFUSA-N 1 1 261.365 2.677 10 70 CFIEMO CC[C@](C)(O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161153057 378826543 /nfs/dbraw/zinc/82/65/43/378826543.db2.gz SDVMVONDOHTESA-QMMMGPOBSA-N 1 1 293.251 2.964 10 70 CFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000160222468 322334753 /nfs/dbraw/zinc/33/47/53/322334753.db2.gz ZRYFZEDXPTWKIG-HIFRSBDPSA-N 1 1 293.455 2.595 10 70 CFIEMO CCc1csc([C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000160893154 522111524 /nfs/dbraw/zinc/11/15/24/522111524.db2.gz DALZPKQZGXNPTQ-GFCCVEGCSA-N 1 1 290.436 2.819 10 70 CFIEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000160893154 522111533 /nfs/dbraw/zinc/11/15/33/522111533.db2.gz DALZPKQZGXNPTQ-GFCCVEGCSA-N 1 1 290.436 2.819 10 70 CFIEMO Fc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000160544492 526330652 /nfs/dbraw/zinc/33/06/52/526330652.db2.gz UORLPDUWJUMKBL-UHFFFAOYSA-N 1 1 259.328 2.928 10 70 CFIEMO CC[C@](C)(O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000161247764 378833809 /nfs/dbraw/zinc/83/38/09/378833809.db2.gz LMRQYMZJQHSVPR-RCBQFDQVSA-N 1 1 281.371 2.749 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000160518458 394366417 /nfs/dbraw/zinc/36/64/17/394366417.db2.gz DXUOHAKLIOAIHB-XHSDSOJGSA-N 1 1 296.455 2.571 10 70 CFIEMO CCC1(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000159456379 322322933 /nfs/dbraw/zinc/32/29/33/322322933.db2.gz UWFDSTNAAXBRPC-CQSZACIVSA-N 1 1 281.444 2.596 10 70 CFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000161273966 523598133 /nfs/dbraw/zinc/59/81/33/523598133.db2.gz STYXZTRXBAUVGT-CYBMUJFWSA-N 1 1 250.390 2.524 10 70 CFIEMO Fc1ccccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160545061 526409856 /nfs/dbraw/zinc/40/98/56/526409856.db2.gz WOUYIPZJOJEORB-UHFFFAOYSA-N 1 1 259.328 2.928 10 70 CFIEMO Cc1ccc(C(=O)CC[NH+]2[C@H](C)COC[C@H]2C)cc1 ZINC000159795708 378730000 /nfs/dbraw/zinc/73/00/00/378730000.db2.gz OYHPXPIAMCABBK-ZIAGYGMSSA-N 1 1 261.365 2.677 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccco1 ZINC000160427526 378772688 /nfs/dbraw/zinc/77/26/88/378772688.db2.gz GPFCHFPRJRFLSC-HSBSLETESA-N 1 1 276.380 2.529 10 70 CFIEMO CCC[C@@H](C(=O)Nc1cccc(C(=O)CC)c1)[NH+](C)C ZINC000161456771 378848071 /nfs/dbraw/zinc/84/80/71/378848071.db2.gz QOSXSMWUANDNRB-AWEZNQCLSA-N 1 1 276.380 2.948 10 70 CFIEMO CCOCC[N@@H+](CC)CCN(C)Cc1ccc(F)cc1 ZINC000159555091 519909334 /nfs/dbraw/zinc/90/93/34/519909334.db2.gz OYMMZTCSALCUGA-UHFFFAOYSA-N 1 1 282.403 2.616 10 70 CFIEMO CCOCCN(CC)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000159555091 519909338 /nfs/dbraw/zinc/90/93/38/519909338.db2.gz OYMMZTCSALCUGA-UHFFFAOYSA-N 1 1 282.403 2.616 10 70 CFIEMO CCOCCN(CC)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000159555091 519909341 /nfs/dbraw/zinc/90/93/41/519909341.db2.gz OYMMZTCSALCUGA-UHFFFAOYSA-N 1 1 282.403 2.616 10 70 CFIEMO C[N@@H+](CCN(CC(F)F)C1CC1)Cc1ccc(F)cc1 ZINC000159544086 522819061 /nfs/dbraw/zinc/81/90/61/522819061.db2.gz WAECZMLYOKMZHI-UHFFFAOYSA-N 1 1 286.341 2.987 10 70 CFIEMO CCSCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000160083227 378747115 /nfs/dbraw/zinc/74/71/15/378747115.db2.gz NKFVROXMMWKPHN-ZDUSSCGKSA-N 1 1 265.426 2.569 10 70 CFIEMO CC[C@@](C)(O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161153194 378826636 /nfs/dbraw/zinc/82/66/36/378826636.db2.gz SDVMVONDOHTESA-MRVPVSSYSA-N 1 1 293.251 2.964 10 70 CFIEMO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000159774467 281383196 /nfs/dbraw/zinc/38/31/96/281383196.db2.gz HYTRYDZSVCMVQZ-GXTWGEPZSA-N 1 1 256.353 2.772 10 70 CFIEMO CCc1cccc(CC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000160003881 322331369 /nfs/dbraw/zinc/33/13/69/322331369.db2.gz MGLBFJCNWQUEBO-KRWDZBQOSA-N 1 1 288.435 2.734 10 70 CFIEMO CCOC[C@H]1CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159987932 520181711 /nfs/dbraw/zinc/18/17/11/520181711.db2.gz UCMDAHVXQSRXSI-INIZCTEOSA-N 1 1 294.414 2.616 10 70 CFIEMO CCc1csc([C@@H]2CCC[N@@H+](CC(OC)OC)C2)n1 ZINC000160787691 522115062 /nfs/dbraw/zinc/11/50/62/522115062.db2.gz JHSOAYRQSJPZBL-LLVKDONJSA-N 1 1 284.425 2.504 10 70 CFIEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000160964304 527441365 /nfs/dbraw/zinc/44/13/65/527441365.db2.gz BHWLRHBMOSWVDJ-HNNXBMFYSA-N 1 1 295.390 2.504 10 70 CFIEMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(CC)cc2)[nH]1 ZINC000160267310 188462693 /nfs/dbraw/zinc/46/26/93/188462693.db2.gz SWEAHPQXLJTKJG-NSHDSACASA-N 1 1 258.369 2.780 10 70 CFIEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1noc3c1CCCC3)CC2 ZINC000161026596 541517087 /nfs/dbraw/zinc/51/70/87/541517087.db2.gz FLLTYMOGYYPKQK-CXAGYDPISA-N 1 1 290.407 2.680 10 70 CFIEMO C[N@H+](Cc1ccc2ccccc2n1)C[C@@H]1CCC[C@@H]1O ZINC000159476721 378712111 /nfs/dbraw/zinc/71/21/11/378712111.db2.gz IJCRDYVQQNVRMV-YOEHRIQHSA-N 1 1 270.376 2.828 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(Cl)c1 ZINC000160532267 378778430 /nfs/dbraw/zinc/77/84/30/378778430.db2.gz IREPZGNUBXDKGN-CYBMUJFWSA-N 1 1 295.814 2.585 10 70 CFIEMO COc1ccc(F)cc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160764646 378796097 /nfs/dbraw/zinc/79/60/97/378796097.db2.gz ATPUDECIFUPWSN-RHSMWYFYSA-N 1 1 293.382 2.961 10 70 CFIEMO CC[C@](C)(O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000161330493 378838854 /nfs/dbraw/zinc/83/88/54/378838854.db2.gz IQGHUJLZFBLNTQ-IKGGRYGDSA-N 1 1 277.408 2.736 10 70 CFIEMO COC(=O)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000217344968 382785745 /nfs/dbraw/zinc/78/57/45/382785745.db2.gz ZRKSXXBWSFQXJY-CVEARBPZSA-N 1 1 289.375 2.617 10 70 CFIEMO CC1(C)CCC(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000159688596 322326801 /nfs/dbraw/zinc/32/68/01/322326801.db2.gz BUGGLZWGYUKFED-HNNXBMFYSA-N 1 1 278.440 2.900 10 70 CFIEMO O[C@@]12CCCC[C@@H]1C[N@@H+](CCOc1cccc(F)c1)CC2 ZINC000160771940 322342886 /nfs/dbraw/zinc/34/28/86/322342886.db2.gz SVHSZFVJBZVBOX-RHSMWYFYSA-N 1 1 293.382 2.832 10 70 CFIEMO CN(CC[N@@H+](C)CCOCC1CC1)Cc1ccc(F)cc1 ZINC000160125488 522892706 /nfs/dbraw/zinc/89/27/06/522892706.db2.gz UDIFJWNPFRJXAP-UHFFFAOYSA-N 1 1 294.414 2.616 10 70 CFIEMO CN(CCOCC1CC1)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000160125488 522892714 /nfs/dbraw/zinc/89/27/14/522892714.db2.gz UDIFJWNPFRJXAP-UHFFFAOYSA-N 1 1 294.414 2.616 10 70 CFIEMO CN(CCOCC1CC1)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160125488 522892719 /nfs/dbraw/zinc/89/27/19/522892719.db2.gz UDIFJWNPFRJXAP-UHFFFAOYSA-N 1 1 294.414 2.616 10 70 CFIEMO CCSCC[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000160088805 378746758 /nfs/dbraw/zinc/74/67/58/378746758.db2.gz WSCSFDOZEKRIFH-CQSZACIVSA-N 1 1 279.453 2.877 10 70 CFIEMO CC(C)OC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000160327753 378763376 /nfs/dbraw/zinc/76/33/76/378763376.db2.gz QAEWCDOIBJJJBA-UHFFFAOYSA-N 1 1 264.369 2.643 10 70 CFIEMO COC(C[N@H+]1CCCC[C@H]1c1ccc(C)o1)OC ZINC000161235303 378832806 /nfs/dbraw/zinc/83/28/06/378832806.db2.gz JYFROGGLBDTDAD-LBPRGKRZSA-N 1 1 253.342 2.734 10 70 CFIEMO CCC[C@H](C(=O)Nc1cccc(C(C)=O)c1)[NH+](C)C ZINC000161172188 378827025 /nfs/dbraw/zinc/82/70/25/378827025.db2.gz LIRBXXZJXRMGRB-CQSZACIVSA-N 1 1 262.353 2.558 10 70 CFIEMO COC(=O)c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000217344884 382785937 /nfs/dbraw/zinc/78/59/37/382785937.db2.gz ZRKSXXBWSFQXJY-HZPDHXFCSA-N 1 1 289.375 2.617 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000160518089 394366545 /nfs/dbraw/zinc/36/65/45/394366545.db2.gz DXUOHAKLIOAIHB-BZUAXINKSA-N 1 1 296.455 2.571 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)C ZINC000160428024 322338156 /nfs/dbraw/zinc/33/81/56/322338156.db2.gz YZRNYBLWPDMYJL-CYBMUJFWSA-N 1 1 254.418 2.659 10 70 CFIEMO Cc1csc([C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000160891817 322345015 /nfs/dbraw/zinc/34/50/15/322345015.db2.gz ZMVCCDZEDXIDNM-LBPRGKRZSA-N 1 1 276.409 2.565 10 70 CFIEMO Cc1csc([C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000160891817 322345017 /nfs/dbraw/zinc/34/50/17/322345017.db2.gz ZMVCCDZEDXIDNM-LBPRGKRZSA-N 1 1 276.409 2.565 10 70 CFIEMO CCOC(=O)CCCCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160511593 520627091 /nfs/dbraw/zinc/62/70/91/520627091.db2.gz RJLCMKCGKYPXLG-WBVHZDCISA-N 1 1 297.439 2.737 10 70 CFIEMO CCSCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160078278 521706852 /nfs/dbraw/zinc/70/68/52/521706852.db2.gz QITGDABNQBAZKL-ZDUSSCGKSA-N 1 1 294.468 2.895 10 70 CFIEMO CCSCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160078278 521706853 /nfs/dbraw/zinc/70/68/53/521706853.db2.gz QITGDABNQBAZKL-ZDUSSCGKSA-N 1 1 294.468 2.895 10 70 CFIEMO C[N@@H+](CCN1CCOCC12CCC2)Cc1ccc(F)cc1 ZINC000160937395 522839615 /nfs/dbraw/zinc/83/96/15/522839615.db2.gz XJABCZVTMQUANR-UHFFFAOYSA-N 1 1 292.398 2.512 10 70 CFIEMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000161339591 526538472 /nfs/dbraw/zinc/53/84/72/526538472.db2.gz VAOIMIXDNOUDJJ-RRQGHBQHSA-N 1 1 290.451 2.803 10 70 CFIEMO Cc1nc(CCN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cs1 ZINC000218133575 526813078 /nfs/dbraw/zinc/81/30/78/526813078.db2.gz PTUIRIWDHJORTB-SWLSCSKDSA-N 1 1 279.453 2.553 10 70 CFIEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)no1 ZINC000161050854 348023060 /nfs/dbraw/zinc/02/30/60/348023060.db2.gz GQNZCLSYXFVRMV-GFCCVEGCSA-N 1 1 292.408 2.598 10 70 CFIEMO Cc1ccc(C(=O)CC[NH+]2[C@@H](C)COC[C@@H]2C)cc1 ZINC000159795600 378730669 /nfs/dbraw/zinc/73/06/69/378730669.db2.gz OYHPXPIAMCABBK-KBPBESRZSA-N 1 1 261.365 2.677 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000160518202 394366399 /nfs/dbraw/zinc/36/63/99/394366399.db2.gz DXUOHAKLIOAIHB-ARFHVFGLSA-N 1 1 296.455 2.571 10 70 CFIEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(SC)c2)C1 ZINC000160989287 322345834 /nfs/dbraw/zinc/34/58/34/322345834.db2.gz LTDRACMYGRJGMB-GFCCVEGCSA-N 1 1 296.411 2.762 10 70 CFIEMO CCc1csc([C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000160893291 522116845 /nfs/dbraw/zinc/11/68/45/522116845.db2.gz DALZPKQZGXNPTQ-LBPRGKRZSA-N 1 1 290.436 2.819 10 70 CFIEMO CCc1csc([C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000160893291 522116858 /nfs/dbraw/zinc/11/68/58/522116858.db2.gz DALZPKQZGXNPTQ-LBPRGKRZSA-N 1 1 290.436 2.819 10 70 CFIEMO C[N@@H+](CCN1CCOC2(CCC2)C1)Cc1ccc(F)cc1 ZINC000161312413 522834331 /nfs/dbraw/zinc/83/43/31/522834331.db2.gz FWLGWFFOGLBKNH-UHFFFAOYSA-N 1 1 292.398 2.512 10 70 CFIEMO CN(CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000161084778 522839118 /nfs/dbraw/zinc/83/91/18/522839118.db2.gz KPXXNGHXSKUKSG-SJLPKXTDSA-N 1 1 288.435 2.750 10 70 CFIEMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000160136327 529343942 /nfs/dbraw/zinc/34/39/42/529343942.db2.gz SOXNAILJGNXKSW-OLZOCXBDSA-N 1 1 280.460 2.901 10 70 CFIEMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000160136327 529343945 /nfs/dbraw/zinc/34/39/45/529343945.db2.gz SOXNAILJGNXKSW-OLZOCXBDSA-N 1 1 280.460 2.901 10 70 CFIEMO CC[C@@](C)(O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000161464346 529509836 /nfs/dbraw/zinc/50/98/36/529509836.db2.gz BXFSYTQQWXTCAS-ZWKOTPCHSA-N 1 1 291.435 2.871 10 70 CFIEMO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCn1ccnc1 ZINC000159799967 378730775 /nfs/dbraw/zinc/73/07/75/378730775.db2.gz QULKECMLJAFZOR-INIZCTEOSA-N 1 1 285.391 2.735 10 70 CFIEMO CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@](C)(O)CC ZINC000160462823 378774511 /nfs/dbraw/zinc/77/45/11/378774511.db2.gz KGTSYYHKFLSFDH-QGZVFWFLSA-N 1 1 292.423 2.807 10 70 CFIEMO COc1ccc(F)cc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160764796 378796148 /nfs/dbraw/zinc/79/61/48/378796148.db2.gz ATPUDECIFUPWSN-PBHICJAKSA-N 1 1 293.382 2.961 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCC1 ZINC000160463245 322338794 /nfs/dbraw/zinc/33/87/94/322338794.db2.gz ZUXUQLIJDZGIFK-OAHLLOKOSA-N 1 1 266.429 2.803 10 70 CFIEMO CCc1csc([C@H]2CCC[N@@H+](CC(OC)OC)C2)n1 ZINC000160787813 522115783 /nfs/dbraw/zinc/11/57/83/522115783.db2.gz JHSOAYRQSJPZBL-NSHDSACASA-N 1 1 284.425 2.504 10 70 CFIEMO CC[C@@](C)(O)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000161358607 529508319 /nfs/dbraw/zinc/50/83/19/529508319.db2.gz OWSHCPKWGXQBMH-SNVBAGLBSA-N 1 1 282.331 2.755 10 70 CFIEMO CC[C@@](C)(O)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000161358607 529508321 /nfs/dbraw/zinc/50/83/21/529508321.db2.gz OWSHCPKWGXQBMH-SNVBAGLBSA-N 1 1 282.331 2.755 10 70 CFIEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)no1 ZINC000161050737 348023115 /nfs/dbraw/zinc/02/31/15/348023115.db2.gz GQNZCLSYXFVRMV-LBPRGKRZSA-N 1 1 292.408 2.598 10 70 CFIEMO CSc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC000160523322 378778537 /nfs/dbraw/zinc/77/85/37/378778537.db2.gz LGPHZLIIJVCPLV-GFCCVEGCSA-N 1 1 296.436 2.852 10 70 CFIEMO C[C@@H]1C[NH+](C[C@@H](O)c2cc3ccccc3o2)C[C@@H](C)O1 ZINC000216877618 382784706 /nfs/dbraw/zinc/78/47/06/382784706.db2.gz IADOVZSQQXNOHK-YRGRVCCFSA-N 1 1 275.348 2.575 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccccc1 ZINC000160488058 322338744 /nfs/dbraw/zinc/33/87/44/322338744.db2.gz YUKMIMRNRBRCKC-QGZVFWFLSA-N 1 1 288.435 2.856 10 70 CFIEMO CC(C)n1cncc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160775289 520054664 /nfs/dbraw/zinc/05/46/64/520054664.db2.gz DKOVIOZWGUXQPM-ZBFHGGJFSA-N 1 1 277.412 2.591 10 70 CFIEMO CC(C)n1cncc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160775160 520056050 /nfs/dbraw/zinc/05/60/50/520056050.db2.gz DKOVIOZWGUXQPM-GDBMZVCRSA-N 1 1 277.412 2.591 10 70 CFIEMO COc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000160536163 524024993 /nfs/dbraw/zinc/02/49/93/524024993.db2.gz QQDCIGXCXIGTSN-UHFFFAOYSA-N 1 1 271.364 2.798 10 70 CFIEMO CCCn1ncnc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000160234899 322335149 /nfs/dbraw/zinc/33/51/49/322335149.db2.gz NIOOSAOVPUMLJO-CYBMUJFWSA-N 1 1 258.369 2.847 10 70 CFIEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1 ZINC000161047373 526919255 /nfs/dbraw/zinc/91/92/55/526919255.db2.gz CRGXOYVLYDBKTL-AWEZNQCLSA-N 1 1 289.354 2.972 10 70 CFIEMO CC[C@@](C)(O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000160342647 378765274 /nfs/dbraw/zinc/76/52/74/378765274.db2.gz WKYCMBALGDENFA-QGZVFWFLSA-N 1 1 276.424 2.880 10 70 CFIEMO CC[C@](C)(O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000160342535 378765505 /nfs/dbraw/zinc/76/55/05/378765505.db2.gz WKYCMBALGDENFA-KRWDZBQOSA-N 1 1 276.424 2.880 10 70 CFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000161342237 378841698 /nfs/dbraw/zinc/84/16/98/378841698.db2.gz QXARSRFMPXZCRS-WFASDCNBSA-N 1 1 285.391 2.626 10 70 CFIEMO Cc1cc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc(C)c1O ZINC000217698836 382787554 /nfs/dbraw/zinc/78/75/54/382787554.db2.gz UJBHYFDRGIJGRW-CVEARBPZSA-N 1 1 274.408 2.725 10 70 CFIEMO Cc1cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc(C)c1O ZINC000217698836 382787561 /nfs/dbraw/zinc/78/75/61/382787561.db2.gz UJBHYFDRGIJGRW-CVEARBPZSA-N 1 1 274.408 2.725 10 70 CFIEMO CC[C@@](C)(O)C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000160776042 394366966 /nfs/dbraw/zinc/36/69/66/394366966.db2.gz NFYFTJCOTXMWNL-GOEBONIOSA-N 1 1 263.381 2.646 10 70 CFIEMO CCC[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160429687 322337859 /nfs/dbraw/zinc/33/78/59/322337859.db2.gz CJDKSKUTYSGTGR-ZIAGYGMSSA-N 1 1 254.418 2.659 10 70 CFIEMO CCc1nc(C[NH+]2CCC(c3ccnn3C)CC2)cs1 ZINC000160532827 522300783 /nfs/dbraw/zinc/30/07/83/522300783.db2.gz GPIRPFOBWYQHFQ-UHFFFAOYSA-N 1 1 290.436 2.819 10 70 CFIEMO CN(CC[N@@H+](C)C1CCC1)Cc1ccc(F)cc1 ZINC000159826982 522810900 /nfs/dbraw/zinc/81/09/00/522810900.db2.gz ALWFLUFGLTXDRO-UHFFFAOYSA-N 1 1 250.361 2.742 10 70 CFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCOCCC(C)C)C1 ZINC000161411939 523596501 /nfs/dbraw/zinc/59/65/01/523596501.db2.gz VRLCXIPDAAROMQ-OAHLLOKOSA-N 1 1 294.443 2.540 10 70 CFIEMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161339469 526538349 /nfs/dbraw/zinc/53/83/49/526538349.db2.gz VAOIMIXDNOUDJJ-XKQJLSEDSA-N 1 1 290.451 2.803 10 70 CFIEMO CC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161195672 378829657 /nfs/dbraw/zinc/82/96/57/378829657.db2.gz GYEQPUYMNRHACD-VXGBXAGGSA-N 1 1 259.271 2.833 10 70 CFIEMO CCc1ccc([C@@H]2CCCC[N@H+]2CC(OC)OC)o1 ZINC000161236147 378832936 /nfs/dbraw/zinc/83/29/36/378832936.db2.gz PDWKTTRUXKJJNX-ZDUSSCGKSA-N 1 1 267.369 2.988 10 70 CFIEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCC(C)(C)CC1 ZINC000160386571 322337586 /nfs/dbraw/zinc/33/75/86/322337586.db2.gz MKWPZCBTNZVOKZ-DZGCQCFKSA-N 1 1 278.440 2.898 10 70 CFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000161414117 523596572 /nfs/dbraw/zinc/59/65/72/523596572.db2.gz FOJGINOTTMJYJF-CQSZACIVSA-N 1 1 262.401 2.668 10 70 CFIEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cnc4ccccn34)C2)c1 ZINC000160115688 526268172 /nfs/dbraw/zinc/26/81/72/526268172.db2.gz WVPWVKHLAOUNLV-HNNXBMFYSA-N 1 1 295.390 2.676 10 70 CFIEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000161045610 526922882 /nfs/dbraw/zinc/92/28/82/526922882.db2.gz LNCXYOGBDZPTJA-OAHLLOKOSA-N 1 1 271.364 2.833 10 70 CFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000160518330 394366593 /nfs/dbraw/zinc/36/65/93/394366593.db2.gz DXUOHAKLIOAIHB-OAGGEKHMSA-N 1 1 296.455 2.571 10 70 CFIEMO