smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000159765231 197362852 /nfs/dbraw/zinc/36/28/52/197362852.db2.gz UKIHNUXJYNSYSD-KRWDZBQOSA-N 1 1 323.440 3.397 10 70 DGIEMO CC[N@@H+](CCOc1cccc(OC)c1)CCc1nccs1 ZINC000159441518 197353854 /nfs/dbraw/zinc/35/38/54/197353854.db2.gz MHOTVCQWWFGQDX-UHFFFAOYSA-N 1 1 306.431 3.095 10 70 DGIEMO O=C(NCCC1=CCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000160255943 432713957 /nfs/dbraw/zinc/71/39/57/432713957.db2.gz FMWIHQGGWJXOKC-SFHVURJKSA-N 1 1 316.420 3.407 10 70 DGIEMO O=C(NCCC1=CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000160255943 432713964 /nfs/dbraw/zinc/71/39/64/432713964.db2.gz FMWIHQGGWJXOKC-SFHVURJKSA-N 1 1 316.420 3.407 10 70 DGIEMO COCCCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161072539 432757775 /nfs/dbraw/zinc/75/77/75/432757775.db2.gz SVFUIVRONYPDLY-LSDHHAIUSA-N 1 1 317.351 3.240 10 70 DGIEMO COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)C ZINC000161093226 432759744 /nfs/dbraw/zinc/75/97/44/432759744.db2.gz ZCVLLGNNLXBCIY-NXEWRWPSSA-N 1 1 316.489 3.443 10 70 DGIEMO O[C@@H](C[C@H]1CCC[N@@H+]1CCCN1CCCCC1)c1ccccc1 ZINC000161384422 432776281 /nfs/dbraw/zinc/77/62/81/432776281.db2.gz KAWCAHLTBLZYKN-UXHICEINSA-N 1 1 316.489 3.451 10 70 DGIEMO O[C@@H](C[C@H]1CCC[N@H+]1CCCN1CCCCC1)c1ccccc1 ZINC000161384422 432776284 /nfs/dbraw/zinc/77/62/84/432776284.db2.gz KAWCAHLTBLZYKN-UXHICEINSA-N 1 1 316.489 3.451 10 70 DGIEMO Cc1nnc(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)s1 ZINC000160801538 432742957 /nfs/dbraw/zinc/74/29/57/432742957.db2.gz OHDKAYCTDXFJQI-MRXNPFEDSA-N 1 1 302.447 3.313 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(F)cc1)c1nccs1 ZINC000161093378 292828232 /nfs/dbraw/zinc/82/82/32/292828232.db2.gz KYXJDKQGCAWBFP-RISCZKNCSA-N 1 1 321.421 3.028 10 70 DGIEMO CC[N@@H+](CCC(=O)N(C)c1ccccc1)CCc1nccs1 ZINC000159442260 546053163 /nfs/dbraw/zinc/05/31/63/546053163.db2.gz CKIVROOJTBKABY-UHFFFAOYSA-N 1 1 317.458 3.061 10 70 DGIEMO COc1c(C[NH2+]Cc2ccc(Cl)c(Cl)c2)c(C)nn1C ZINC000160199726 546058861 /nfs/dbraw/zinc/05/88/61/546058861.db2.gz FMMANMZSDQTXDP-UHFFFAOYSA-N 1 1 314.216 3.334 10 70 DGIEMO CC[C@@](C)(O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000161225442 529508135 /nfs/dbraw/zinc/50/81/35/529508135.db2.gz FIKXJZVIMAYVCF-MRXNPFEDSA-N 1 1 313.463 3.019 10 70 DGIEMO Cc1cnn([C@@H]2CCC[N@@H+](CCC(=O)c3ccc(C)cc3)C2)c1 ZINC000159467248 197356101 /nfs/dbraw/zinc/35/61/01/197356101.db2.gz IVOKHCZRIWFMIO-GOSISDBHSA-N 1 1 311.429 3.410 10 70 DGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000159565408 432687243 /nfs/dbraw/zinc/68/72/43/432687243.db2.gz NMEQBBOJNUMBRX-ONGXEEELSA-N 1 1 301.217 3.079 10 70 DGIEMO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000160904268 432749345 /nfs/dbraw/zinc/74/93/45/432749345.db2.gz TXSFVWISRVLYQR-UHFFFAOYSA-N 1 1 313.463 3.238 10 70 DGIEMO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000160904268 432749346 /nfs/dbraw/zinc/74/93/46/432749346.db2.gz TXSFVWISRVLYQR-UHFFFAOYSA-N 1 1 313.463 3.238 10 70 DGIEMO COCCN(Cc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC000160964170 432751626 /nfs/dbraw/zinc/75/16/26/432751626.db2.gz VOQWXJUSDCJCBY-UHFFFAOYSA-N 1 1 314.429 3.356 10 70 DGIEMO COCCN(Cc1ccccc1)Cc1[nH+]cc(C)c(OC)c1C ZINC000160964170 432751629 /nfs/dbraw/zinc/75/16/29/432751629.db2.gz VOQWXJUSDCJCBY-UHFFFAOYSA-N 1 1 314.429 3.356 10 70 DGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)c1nccs1 ZINC000161098170 432760098 /nfs/dbraw/zinc/76/00/98/432760098.db2.gz YXGQTNJOGPMHMW-ZFWWWQNUSA-N 1 1 317.458 3.231 10 70 DGIEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160577356 432728236 /nfs/dbraw/zinc/72/82/36/432728236.db2.gz UFVNXKRVZYCVEK-XNRPHZJLSA-N 1 1 322.399 3.059 10 70 DGIEMO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1F ZINC000160560717 432729535 /nfs/dbraw/zinc/72/95/35/432729535.db2.gz ZMXVCKJWGIVTHN-CQSZACIVSA-N 1 1 323.412 3.076 10 70 DGIEMO NC(=O)[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccc(F)cc1 ZINC000159536410 292794441 /nfs/dbraw/zinc/79/44/41/292794441.db2.gz CEBQAFGFOWBQPH-IRXDYDNUSA-N 1 1 316.351 3.158 10 70 DGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCc2ccccc21)c1nccs1 ZINC000161157920 292829439 /nfs/dbraw/zinc/82/94/39/292829439.db2.gz DGAMSGXGEVPFQM-TZMCWYRMSA-N 1 1 315.442 3.162 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(C)cc1)c1nccs1 ZINC000161174801 292830284 /nfs/dbraw/zinc/83/02/84/292830284.db2.gz WOWSHQQDDJQGGW-HIFRSBDPSA-N 1 1 317.458 3.197 10 70 DGIEMO CC[C@@](C)(O)C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000160996234 529508044 /nfs/dbraw/zinc/50/80/44/529508044.db2.gz FZSDRNOCXQJTNT-CQSZACIVSA-N 1 1 300.240 3.084 10 70 DGIEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)c3ccc(C)cc3)C2)c1 ZINC000159467097 197356326 /nfs/dbraw/zinc/35/63/26/197356326.db2.gz IVOKHCZRIWFMIO-SFHVURJKSA-N 1 1 311.429 3.410 10 70 DGIEMO CC[C@H]1CCCCCN1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000160904219 400737972 /nfs/dbraw/zinc/73/79/72/400737972.db2.gz GBOFGPDOIMKAHU-LSDHHAIUSA-N 1 1 307.438 3.247 10 70 DGIEMO Cc1cc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)cc[nH+]1 ZINC000159715276 432694078 /nfs/dbraw/zinc/69/40/78/432694078.db2.gz ZZIOIEVZBLQUIA-UHFFFAOYSA-N 1 1 314.769 3.292 10 70 DGIEMO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159730510 432694332 /nfs/dbraw/zinc/69/43/32/432694332.db2.gz MNFHOYVVYQCIAH-GOSISDBHSA-N 1 1 309.413 3.474 10 70 DGIEMO Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159730510 432694333 /nfs/dbraw/zinc/69/43/33/432694333.db2.gz MNFHOYVVYQCIAH-GOSISDBHSA-N 1 1 309.413 3.474 10 70 DGIEMO Cc1cccc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159862608 432698608 /nfs/dbraw/zinc/69/86/08/432698608.db2.gz NJVVGPUGVTULLE-UHFFFAOYSA-N 1 1 317.458 3.343 10 70 DGIEMO Cc1cccc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159862608 432698611 /nfs/dbraw/zinc/69/86/11/432698611.db2.gz NJVVGPUGVTULLE-UHFFFAOYSA-N 1 1 317.458 3.343 10 70 DGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC000160403883 432718548 /nfs/dbraw/zinc/71/85/48/432718548.db2.gz WYOGFNCQXOIQLN-RHSMWYFYSA-N 1 1 306.425 3.166 10 70 DGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1C)c1nccs1 ZINC000161140616 432761135 /nfs/dbraw/zinc/76/11/35/432761135.db2.gz JRSFZDLXDLXIRP-DZGCQCFKSA-N 1 1 317.458 3.197 10 70 DGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)c1nccs1 ZINC000161143505 432761583 /nfs/dbraw/zinc/76/15/83/432761583.db2.gz OPXFZXRWVJISBP-YIOUJQMASA-N 1 1 309.479 3.267 10 70 DGIEMO C[C@@H](c1ccncc1)N(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000161186980 432765693 /nfs/dbraw/zinc/76/56/93/432765693.db2.gz YNLYWXJFZIZXAB-HNNXBMFYSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@@H](c1ccncc1)[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161186980 432765697 /nfs/dbraw/zinc/76/56/97/432765697.db2.gz YNLYWXJFZIZXAB-HNNXBMFYSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@@H](c1ccncc1)[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161186980 432765700 /nfs/dbraw/zinc/76/57/00/432765700.db2.gz YNLYWXJFZIZXAB-HNNXBMFYSA-N 1 1 301.409 3.346 10 70 DGIEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000161267225 432769340 /nfs/dbraw/zinc/76/93/40/432769340.db2.gz NXTLWHKIJCLXDW-UONOGXRCSA-N 1 1 302.397 3.378 10 70 DGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000161308631 432770971 /nfs/dbraw/zinc/77/09/71/432770971.db2.gz JJIKKSVVRVQXMK-CQSZACIVSA-N 1 1 304.825 3.331 10 70 DGIEMO CC(C)c1nc(C[NH+]2CCC(c3ccnn3C)CC2)cs1 ZINC000160530682 432727419 /nfs/dbraw/zinc/72/74/19/432727419.db2.gz DRRBHJBTQDLTEK-UHFFFAOYSA-N 1 1 304.463 3.380 10 70 DGIEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160024323 197380571 /nfs/dbraw/zinc/38/05/71/197380571.db2.gz XIGLABBVXLWLEC-SFHVURJKSA-N 1 1 311.429 3.237 10 70 DGIEMO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000159730658 432693270 /nfs/dbraw/zinc/69/32/70/432693270.db2.gz MNFHOYVVYQCIAH-SFHVURJKSA-N 1 1 309.413 3.474 10 70 DGIEMO Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000159730658 432693276 /nfs/dbraw/zinc/69/32/76/432693276.db2.gz MNFHOYVVYQCIAH-SFHVURJKSA-N 1 1 309.413 3.474 10 70 DGIEMO Cc1ccc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)cc1 ZINC000159830046 432697046 /nfs/dbraw/zinc/69/70/46/432697046.db2.gz CEPSUQZQMCLMEN-UHFFFAOYSA-N 1 1 317.458 3.343 10 70 DGIEMO Cc1ccc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159830046 432697048 /nfs/dbraw/zinc/69/70/48/432697048.db2.gz CEPSUQZQMCLMEN-UHFFFAOYSA-N 1 1 317.458 3.343 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1nc(-c2ccoc2)no1 ZINC000159860913 432699608 /nfs/dbraw/zinc/69/96/08/432699608.db2.gz SMLHFDWHIRNBGP-UHFFFAOYSA-N 1 1 318.402 3.239 10 70 DGIEMO CC[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccc(F)cc1 ZINC000161020127 432754274 /nfs/dbraw/zinc/75/42/74/432754274.db2.gz BGRMQIIZSQVZRF-RRQGHBQHSA-N 1 1 306.425 3.164 10 70 DGIEMO CCOc1ccccc1C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000161046986 432756512 /nfs/dbraw/zinc/75/65/12/432756512.db2.gz WCNWMUPXPGJYNA-HNNXBMFYSA-N 1 1 315.417 3.231 10 70 DGIEMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000161393289 432776764 /nfs/dbraw/zinc/77/67/64/432776764.db2.gz CRYHQJZIWVXJFY-ZDUSSCGKSA-N 1 1 301.434 3.245 10 70 DGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000160533705 432727395 /nfs/dbraw/zinc/72/73/95/432727395.db2.gz OWXATTCMDFZZDE-NXEZZACHSA-N 1 1 301.217 3.079 10 70 DGIEMO CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000160702583 432735245 /nfs/dbraw/zinc/73/52/45/432735245.db2.gz LRSISLSAQCFBIJ-DLBZAZTESA-N 1 1 306.425 3.262 10 70 DGIEMO O[C@@]12CCCC[C@@H]1C[N@@H+](CCCOCCc1ccccc1)CC2 ZINC000160748714 432739577 /nfs/dbraw/zinc/73/95/77/432739577.db2.gz ZXHKMPPXGLHYPW-WOJBJXKFSA-N 1 1 317.473 3.263 10 70 DGIEMO COc1cccc(OCC[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159957318 432702834 /nfs/dbraw/zinc/70/28/34/432702834.db2.gz FHVNKJYTCAZCOU-UHFFFAOYSA-N 1 1 320.458 3.484 10 70 DGIEMO COc1ccc(OCCC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160968185 432751342 /nfs/dbraw/zinc/75/13/42/432751342.db2.gz HTNVNUQFMQONIJ-VQIMIIECSA-N 1 1 319.445 3.091 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)NC1CCC(C)CC1)c1nccs1 ZINC000161143730 432761439 /nfs/dbraw/zinc/76/14/39/432761439.db2.gz OPXFZXRWVJISBP-HHTDUIENSA-N 1 1 309.479 3.267 10 70 DGIEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1nc3cc(F)ccc3o1)CC2 ZINC000161137258 432761541 /nfs/dbraw/zinc/76/15/41/432761541.db2.gz HBIIFUOJWMYJAO-PXAZEXFGSA-N 1 1 304.365 3.094 10 70 DGIEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC000161269035 432770089 /nfs/dbraw/zinc/77/00/89/432770089.db2.gz DWEKJSRHKVPXLZ-ZDUSSCGKSA-N 1 1 319.478 3.258 10 70 DGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000161269035 432770093 /nfs/dbraw/zinc/77/00/93/432770093.db2.gz DWEKJSRHKVPXLZ-ZDUSSCGKSA-N 1 1 319.478 3.258 10 70 DGIEMO CCOC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000161090496 528975736 /nfs/dbraw/zinc/97/57/36/528975736.db2.gz GYEOEANMKQNJFS-UXDRXVOSSA-N 1 1 302.462 3.197 10 70 DGIEMO CC[C@](C)(O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000160720062 529373143 /nfs/dbraw/zinc/37/31/43/529373143.db2.gz IBTXDPDMAOCQGR-ZDUSSCGKSA-N 1 1 304.203 3.181 10 70 DGIEMO Cc1nc(Cl)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000159554623 186127115 /nfs/dbraw/zinc/12/71/15/186127115.db2.gz JWNHJJMVVDXTSL-KGLIPLIRSA-N 1 1 321.852 3.131 10 70 DGIEMO Cc1ccccc1NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159866447 432699945 /nfs/dbraw/zinc/69/99/45/432699945.db2.gz HYLMHFQYVWNINC-UHFFFAOYSA-N 1 1 317.458 3.343 10 70 DGIEMO Cc1ccccc1NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159866447 432699947 /nfs/dbraw/zinc/69/99/47/432699947.db2.gz HYLMHFQYVWNINC-UHFFFAOYSA-N 1 1 317.458 3.343 10 70 DGIEMO C[N@H+]1CCC[C@H]2CN(c3ccnc4c(F)cc(F)cc34)CC[C@@H]21 ZINC000159998864 432703720 /nfs/dbraw/zinc/70/37/20/432703720.db2.gz GHURGFSAPCLLPR-LRDDRELGSA-N 1 1 317.383 3.434 10 70 DGIEMO CCc1nnc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)[nH]1 ZINC000160489247 432722931 /nfs/dbraw/zinc/72/29/31/432722931.db2.gz CYLXDPIDMOZZLN-CYBMUJFWSA-N 1 1 307.401 3.280 10 70 DGIEMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)[nH]1 ZINC000160489151 432723300 /nfs/dbraw/zinc/72/33/00/432723300.db2.gz CYLXDPIDMOZZLN-ZDUSSCGKSA-N 1 1 307.401 3.280 10 70 DGIEMO CC[C@](C)(O)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000161039812 432756598 /nfs/dbraw/zinc/75/65/98/432756598.db2.gz VFISYXUXCVXGMP-SFHVURJKSA-N 1 1 319.424 3.241 10 70 DGIEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000161295984 432771782 /nfs/dbraw/zinc/77/17/82/432771782.db2.gz DGNKUGXXSVGQAJ-ZFWWWQNUSA-N 1 1 302.397 3.378 10 70 DGIEMO Cc1[nH]c2c(cccc2C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000161395405 432775817 /nfs/dbraw/zinc/77/58/17/432775817.db2.gz MFFDTRXQLIVWFI-YVEFUNNKSA-N 1 1 313.445 3.243 10 70 DGIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000160533855 432727453 /nfs/dbraw/zinc/72/74/53/432727453.db2.gz OWXATTCMDFZZDE-VHSXEESVSA-N 1 1 301.217 3.079 10 70 DGIEMO C[C@]1(CNc2ncc(F)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000160800239 432743004 /nfs/dbraw/zinc/74/30/04/432743004.db2.gz GMFCSEOSRGCRDL-QGZVFWFLSA-N 1 1 300.381 3.082 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCC1CCCCC1 ZINC000159840531 432697063 /nfs/dbraw/zinc/69/70/63/432697063.db2.gz FCXLCUCSXSACCR-UHFFFAOYSA-N 1 1 323.506 3.093 10 70 DGIEMO CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000160420606 432719788 /nfs/dbraw/zinc/71/97/88/432719788.db2.gz KBXQVIFBEATCBL-XYPHTWIQSA-N 1 1 306.425 3.260 10 70 DGIEMO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160512266 432724390 /nfs/dbraw/zinc/72/43/90/432724390.db2.gz JGMFQYAAQHUSDT-PBFPGSCMSA-N 1 1 307.438 3.055 10 70 DGIEMO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160512266 432724392 /nfs/dbraw/zinc/72/43/92/432724392.db2.gz JGMFQYAAQHUSDT-PBFPGSCMSA-N 1 1 307.438 3.055 10 70 DGIEMO CC[N@@H+](CCc1nccs1)Cc1cc(C(=O)OC)sc1C ZINC000159409864 432681757 /nfs/dbraw/zinc/68/17/57/432681757.db2.gz YLTBOTOLWZHZTK-UHFFFAOYSA-N 1 1 324.471 3.364 10 70 DGIEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)no1 ZINC000161047661 432756640 /nfs/dbraw/zinc/75/66/40/432756640.db2.gz WHFPYXPNYGBUPA-LBPRGKRZSA-N 1 1 307.344 3.111 10 70 DGIEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)no1 ZINC000161047661 432756642 /nfs/dbraw/zinc/75/66/42/432756642.db2.gz WHFPYXPNYGBUPA-LBPRGKRZSA-N 1 1 307.344 3.111 10 70 DGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)c1nccs1 ZINC000161171247 432763657 /nfs/dbraw/zinc/76/36/57/432763657.db2.gz HPPQBXVYAOHASC-YDHLFZDLSA-N 1 1 317.458 3.450 10 70 DGIEMO COCCOc1ccccc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000161148750 432763722 /nfs/dbraw/zinc/76/37/22/432763722.db2.gz PGTCLKIAIYEFFH-UHFFFAOYSA-N 1 1 303.377 3.483 10 70 DGIEMO C[C@H](c1cccnc1)N(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000161188664 432764412 /nfs/dbraw/zinc/76/44/12/432764412.db2.gz SIDCYSQHLAZLCS-OAHLLOKOSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@H](c1cccnc1)[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161188664 432764417 /nfs/dbraw/zinc/76/44/17/432764417.db2.gz SIDCYSQHLAZLCS-OAHLLOKOSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@H](c1cccnc1)[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161188664 432764419 /nfs/dbraw/zinc/76/44/19/432764419.db2.gz SIDCYSQHLAZLCS-OAHLLOKOSA-N 1 1 301.409 3.346 10 70 DGIEMO CC[C@@H]1C[N@H+](CCC(=O)c2ccc(C)cc2)CCN1CC(F)F ZINC000161309337 432773764 /nfs/dbraw/zinc/77/37/64/432773764.db2.gz FCRBRWPBKCABAJ-MRXNPFEDSA-N 1 1 324.415 3.229 10 70 DGIEMO CC[C@@H]1C[N@@H+](CCC(=O)c2ccc(C)cc2)CCN1CC(F)F ZINC000161309337 432773769 /nfs/dbraw/zinc/77/37/69/432773769.db2.gz FCRBRWPBKCABAJ-MRXNPFEDSA-N 1 1 324.415 3.229 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccccc1)c1nccs1 ZINC000161098384 292828207 /nfs/dbraw/zinc/82/82/07/292828207.db2.gz YXGQTNJOGPMHMW-HIFRSBDPSA-N 1 1 317.458 3.231 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1nc2ccccc2n1C ZINC000159768297 432695780 /nfs/dbraw/zinc/69/57/80/432695780.db2.gz KFLFQOBVKXCNOH-UHFFFAOYSA-N 1 1 314.458 3.483 10 70 DGIEMO COC(=O)c1sccc1C[N@@H+](CCc1nccs1)C(C)C ZINC000159844453 432698090 /nfs/dbraw/zinc/69/80/90/432698090.db2.gz XYRFWTWTKMECNM-UHFFFAOYSA-N 1 1 324.471 3.444 10 70 DGIEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000159565254 432686187 /nfs/dbraw/zinc/68/61/87/432686187.db2.gz NMEQBBOJNUMBRX-KOLCDFICSA-N 1 1 301.217 3.079 10 70 DGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(F)cc1)c1nccs1 ZINC000161093495 432759208 /nfs/dbraw/zinc/75/92/08/432759208.db2.gz KYXJDKQGCAWBFP-BXUZGUMPSA-N 1 1 321.421 3.028 10 70 DGIEMO C[C@@]1(CNc2ncc(F)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000160800415 432742946 /nfs/dbraw/zinc/74/29/46/432742946.db2.gz GMFCSEOSRGCRDL-KRWDZBQOSA-N 1 1 300.381 3.082 10 70 DGIEMO CC(C)[N@H+](CCc1nccs1)Cc1nc(C(C)(C)C)no1 ZINC000159954063 528916071 /nfs/dbraw/zinc/91/60/71/528916071.db2.gz UAZDKHGOPUKOHK-UHFFFAOYSA-N 1 1 308.451 3.277 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1nc(C(C)(C)C)no1 ZINC000159954063 528916076 /nfs/dbraw/zinc/91/60/76/528916076.db2.gz UAZDKHGOPUKOHK-UHFFFAOYSA-N 1 1 308.451 3.277 10 70 DGIEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccnc(C2CC2)n1 ZINC000160234508 197395212 /nfs/dbraw/zinc/39/52/12/197395212.db2.gz FWSSCPYCRYTNJR-YOEHRIQHSA-N 1 1 308.429 3.286 10 70 DGIEMO CC(C)N(C(=O)C[N@@H+](CCc1nccs1)C(C)C)C(C)C ZINC000159840360 432696848 /nfs/dbraw/zinc/69/68/48/432696848.db2.gz SCXZCZIRNXGHQI-UHFFFAOYSA-N 1 1 311.495 3.041 10 70 DGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CSc1ccccc1 ZINC000160420181 432719613 /nfs/dbraw/zinc/71/96/13/432719613.db2.gz PVGIMVHBMDZMJS-OAHLLOKOSA-N 1 1 306.475 3.015 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1)c1nccs1 ZINC000161136748 432761472 /nfs/dbraw/zinc/76/14/72/432761472.db2.gz GGLPDUXLBSVWBE-RISCZKNCSA-N 1 1 319.430 3.220 10 70 DGIEMO C[C@H](c1ccncc1)N(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000161187109 432764549 /nfs/dbraw/zinc/76/45/49/432764549.db2.gz YNLYWXJFZIZXAB-OAHLLOKOSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@H](c1ccncc1)[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161187109 432764555 /nfs/dbraw/zinc/76/45/55/432764555.db2.gz YNLYWXJFZIZXAB-OAHLLOKOSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@H](c1ccncc1)[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161187109 432764558 /nfs/dbraw/zinc/76/45/58/432764558.db2.gz YNLYWXJFZIZXAB-OAHLLOKOSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@H](c1ccccn1)N(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000161189989 432765058 /nfs/dbraw/zinc/76/50/58/432765058.db2.gz VGJWSBAZMSHEFE-OAHLLOKOSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@H](c1ccccn1)[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161189989 432765064 /nfs/dbraw/zinc/76/50/64/432765064.db2.gz VGJWSBAZMSHEFE-OAHLLOKOSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@H](c1ccccn1)[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161189989 432765068 /nfs/dbraw/zinc/76/50/68/432765068.db2.gz VGJWSBAZMSHEFE-OAHLLOKOSA-N 1 1 301.409 3.346 10 70 DGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000161338073 432773233 /nfs/dbraw/zinc/77/32/33/432773233.db2.gz SXCZQUVSVMZGHC-AWEZNQCLSA-N 1 1 304.825 3.331 10 70 DGIEMO C[N@@H+](C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160579415 432729230 /nfs/dbraw/zinc/72/92/30/432729230.db2.gz NGIDWHRJWXARSH-QXULXFAOSA-N 1 1 324.465 3.028 10 70 DGIEMO CC[C@@](C)(O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000160809821 523660343 /nfs/dbraw/zinc/66/03/43/523660343.db2.gz JCICLAWOXBYMHL-GOSISDBHSA-N 1 1 302.418 3.367 10 70 DGIEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)no1 ZINC000161047786 526922762 /nfs/dbraw/zinc/92/27/62/526922762.db2.gz WHFPYXPNYGBUPA-GFCCVEGCSA-N 1 1 307.344 3.111 10 70 DGIEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)no1 ZINC000161047786 526922769 /nfs/dbraw/zinc/92/27/69/526922769.db2.gz WHFPYXPNYGBUPA-GFCCVEGCSA-N 1 1 307.344 3.111 10 70 DGIEMO CC(C)[N@H+](CCc1nccs1)Cc1noc2c1CCCC2 ZINC000159909286 546057515 /nfs/dbraw/zinc/05/75/15/546057515.db2.gz BQYSRCIGBMEEPD-UHFFFAOYSA-N 1 1 305.447 3.463 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1noc2c1CCCC2 ZINC000159909286 546057520 /nfs/dbraw/zinc/05/75/20/546057520.db2.gz BQYSRCIGBMEEPD-UHFFFAOYSA-N 1 1 305.447 3.463 10 70 DGIEMO CC[N@@H+](CCOc1ccc(OC)cc1)CCc1nccs1 ZINC000159431052 197352933 /nfs/dbraw/zinc/35/29/33/197352933.db2.gz OGNJGKXQXVGIOX-UHFFFAOYSA-N 1 1 306.431 3.095 10 70 DGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)c1nccs1 ZINC000161143626 286918823 /nfs/dbraw/zinc/91/88/23/286918823.db2.gz OPXFZXRWVJISBP-GNRIBBGQSA-N 1 1 309.479 3.267 10 70 DGIEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCOc1cccc(Cl)c1)CC2 ZINC000160750354 228247878 /nfs/dbraw/zinc/24/78/78/228247878.db2.gz AFIVOMRZHRKFAI-PBHICJAKSA-N 1 1 309.837 3.346 10 70 DGIEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC000160995248 279172218 /nfs/dbraw/zinc/17/22/18/279172218.db2.gz GHFFREOIWMWFDR-INIZCTEOSA-N 1 1 303.450 3.399 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000159760600 432695714 /nfs/dbraw/zinc/69/57/14/432695714.db2.gz IMGCBPPNTXOZGI-HUUCEWRRSA-N 1 1 323.506 3.186 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1cnc2ccccn12 ZINC000159799118 432697362 /nfs/dbraw/zinc/69/73/62/432697362.db2.gz NTKNJLCXLBQHOY-UHFFFAOYSA-N 1 1 300.431 3.244 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NC1CCC(C)CC1 ZINC000159954785 432703172 /nfs/dbraw/zinc/70/31/72/432703172.db2.gz XHUGEGOUOLEXQL-UHFFFAOYSA-N 1 1 323.506 3.091 10 70 DGIEMO COc1cccc([C@@H](C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160440658 432720606 /nfs/dbraw/zinc/72/06/06/432720606.db2.gz IBSDECMXCZOFLF-NVXWUHKLSA-N 1 1 318.461 3.035 10 70 DGIEMO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)[nH]1 ZINC000160494146 432722679 /nfs/dbraw/zinc/72/26/79/432722679.db2.gz YOYSOGKZKDERGD-CYBMUJFWSA-N 1 1 302.422 3.253 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(F)c1)c1nccs1 ZINC000161058104 432756557 /nfs/dbraw/zinc/75/65/57/432756557.db2.gz FNULMAJSRHJWTI-MFKMUULPSA-N 1 1 307.394 3.350 10 70 DGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1nccs1 ZINC000161093148 432759127 /nfs/dbraw/zinc/75/91/27/432759127.db2.gz KYXJDKQGCAWBFP-FZMZJTMJSA-N 1 1 321.421 3.028 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1F)c1nccs1 ZINC000161110346 432759277 /nfs/dbraw/zinc/75/92/77/432759277.db2.gz RUQLDQFFFYPCBZ-RISCZKNCSA-N 1 1 321.421 3.028 10 70 DGIEMO CS[C@@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000161414871 432777930 /nfs/dbraw/zinc/77/79/30/432777930.db2.gz VSSWEFIAGUAUMH-DOTOQJQBSA-N 1 1 320.502 3.299 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)N1CCc2ccccc21)c1nccs1 ZINC000161157815 292829444 /nfs/dbraw/zinc/82/94/44/292829444.db2.gz DGAMSGXGEVPFQM-OCCSQVGLSA-N 1 1 315.442 3.162 10 70 DGIEMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCCC3(C)C)c2c1 ZINC000160889044 400736174 /nfs/dbraw/zinc/73/61/74/400736174.db2.gz FFVLQXSQRRNQFA-UHFFFAOYSA-N 1 1 314.385 3.012 10 70 DGIEMO CC[C@H]1CCCCCN1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000160903960 400736467 /nfs/dbraw/zinc/73/64/67/400736467.db2.gz GBOFGPDOIMKAHU-GJZGRUSLSA-N 1 1 307.438 3.247 10 70 DGIEMO COC(=O)c1cccc(C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159875957 432698972 /nfs/dbraw/zinc/69/89/72/432698972.db2.gz RZTPSKDBNYPLNG-UHFFFAOYSA-N 1 1 318.442 3.383 10 70 DGIEMO COc1ccc(OC)c([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000160013996 432705069 /nfs/dbraw/zinc/70/50/69/432705069.db2.gz LILGJNYEXRLHGH-ZQIUZPCESA-N 1 1 306.450 3.083 10 70 DGIEMO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000160013996 432705074 /nfs/dbraw/zinc/70/50/74/432705074.db2.gz LILGJNYEXRLHGH-ZQIUZPCESA-N 1 1 306.450 3.083 10 70 DGIEMO O=C(NCCC1=CCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000160255788 432712352 /nfs/dbraw/zinc/71/23/52/432712352.db2.gz FMWIHQGGWJXOKC-GOSISDBHSA-N 1 1 316.420 3.407 10 70 DGIEMO O=C(NCCC1=CCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000160255788 432712357 /nfs/dbraw/zinc/71/23/57/432712357.db2.gz FMWIHQGGWJXOKC-GOSISDBHSA-N 1 1 316.420 3.407 10 70 DGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1)c1nccs1 ZINC000161136518 432760765 /nfs/dbraw/zinc/76/07/65/432760765.db2.gz GGLPDUXLBSVWBE-FZMZJTMJSA-N 1 1 319.430 3.220 10 70 DGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C)cc1)c1nccs1 ZINC000161174569 432765502 /nfs/dbraw/zinc/76/55/02/432765502.db2.gz WOWSHQQDDJQGGW-ZFWWWQNUSA-N 1 1 317.458 3.197 10 70 DGIEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC000161268922 432770221 /nfs/dbraw/zinc/77/02/21/432770221.db2.gz DWEKJSRHKVPXLZ-CYBMUJFWSA-N 1 1 319.478 3.258 10 70 DGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000161268922 432770224 /nfs/dbraw/zinc/77/02/24/432770224.db2.gz DWEKJSRHKVPXLZ-CYBMUJFWSA-N 1 1 319.478 3.258 10 70 DGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000161338878 432772677 /nfs/dbraw/zinc/77/26/77/432772677.db2.gz GDWHEIGLZBXMKS-AWEZNQCLSA-N 1 1 304.825 3.331 10 70 DGIEMO COc1c(C[N@H+](C)Cc2ccc(C(C)C)cc2)c(C)nn1C ZINC000160667889 432734378 /nfs/dbraw/zinc/73/43/78/432734378.db2.gz DPCWNLRDTUBTTH-UHFFFAOYSA-N 1 1 301.434 3.493 10 70 DGIEMO COc1c(C[N@@H+](C)Cc2ccc(C(C)C)cc2)c(C)nn1C ZINC000160667889 432734383 /nfs/dbraw/zinc/73/43/83/432734383.db2.gz DPCWNLRDTUBTTH-UHFFFAOYSA-N 1 1 301.434 3.493 10 70 DGIEMO CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000160702420 432736171 /nfs/dbraw/zinc/73/61/71/432736171.db2.gz LRSISLSAQCFBIJ-IRXDYDNUSA-N 1 1 306.425 3.262 10 70 DGIEMO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(Br)c1 ZINC000159774977 278372347 /nfs/dbraw/zinc/37/23/47/278372347.db2.gz AWYSMOKLZCOXGK-ZWNOBZJWSA-N 1 1 321.222 3.226 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000159898372 432701587 /nfs/dbraw/zinc/70/15/87/432701587.db2.gz ZNWWUAYWKJGLQI-GJZGRUSLSA-N 1 1 323.506 3.091 10 70 DGIEMO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCN1CCC(O)CC1 ZINC000160117356 432706350 /nfs/dbraw/zinc/70/63/50/432706350.db2.gz RCNCEDWZVVBSID-SQFISAMPSA-N 1 1 322.880 3.180 10 70 DGIEMO CSc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160534872 432726771 /nfs/dbraw/zinc/72/67/71/432726771.db2.gz WLSHXOPOZGCYNM-OAHLLOKOSA-N 1 1 306.475 3.259 10 70 DGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000161337938 432772597 /nfs/dbraw/zinc/77/25/97/432772597.db2.gz SXCZQUVSVMZGHC-CQSZACIVSA-N 1 1 304.825 3.331 10 70 DGIEMO Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000161379738 432776991 /nfs/dbraw/zinc/77/69/91/432776991.db2.gz PGGOHTAOMJNTPV-CZUORRHYSA-N 1 1 321.465 3.022 10 70 DGIEMO Cc1[nH]c2c(cccc2C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000161395541 432777059 /nfs/dbraw/zinc/77/70/59/432777059.db2.gz MFFDTRXQLIVWFI-SJCJKPOMSA-N 1 1 313.445 3.243 10 70 DGIEMO CC[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000160702699 432735869 /nfs/dbraw/zinc/73/58/69/432735869.db2.gz LRSISLSAQCFBIJ-SJORKVTESA-N 1 1 306.425 3.262 10 70 DGIEMO Cc1nnc(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)s1 ZINC000160801397 432742436 /nfs/dbraw/zinc/74/24/36/432742436.db2.gz OHDKAYCTDXFJQI-INIZCTEOSA-N 1 1 302.447 3.313 10 70 DGIEMO CCC[C@@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)N(C)C ZINC000161502200 432783756 /nfs/dbraw/zinc/78/37/56/432783756.db2.gz VIBLQRQWCFXMET-KRWDZBQOSA-N 1 1 305.466 3.197 10 70 DGIEMO COc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160786980 533852896 /nfs/dbraw/zinc/85/28/96/533852896.db2.gz QAIIZULDVQVWCK-PBHICJAKSA-N 1 1 309.837 3.476 10 70 DGIEMO CCOC[C@@H]1CCC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159677566 520114734 /nfs/dbraw/zinc/11/47/34/520114734.db2.gz UEBDLWCCAFAIFJ-QGZVFWFLSA-N 1 1 308.441 3.006 10 70 DGIEMO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000160316642 526044636 /nfs/dbraw/zinc/04/46/36/526044636.db2.gz IHOJZTKVZILIAU-GOSISDBHSA-N 1 1 310.397 3.116 10 70 DGIEMO Cc1ccc(C)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159648692 186133214 /nfs/dbraw/zinc/13/32/14/186133214.db2.gz LHEGSQGUBRTVHS-MSOLQXFVSA-N 1 1 315.413 3.221 10 70 DGIEMO Cc1ccc(C)c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159648692 186133216 /nfs/dbraw/zinc/13/32/16/186133216.db2.gz LHEGSQGUBRTVHS-MSOLQXFVSA-N 1 1 315.413 3.221 10 70 DGIEMO C[C@@H](c1cccnc1)N(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000161188533 274278646 /nfs/dbraw/zinc/27/86/46/274278646.db2.gz SIDCYSQHLAZLCS-HNNXBMFYSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@@H](c1cccnc1)[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161188533 274278647 /nfs/dbraw/zinc/27/86/47/274278647.db2.gz SIDCYSQHLAZLCS-HNNXBMFYSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@@H](c1cccnc1)[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161188533 274278648 /nfs/dbraw/zinc/27/86/48/274278648.db2.gz SIDCYSQHLAZLCS-HNNXBMFYSA-N 1 1 301.409 3.346 10 70 DGIEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000160533512 274313737 /nfs/dbraw/zinc/31/37/37/274313737.db2.gz OWXATTCMDFZZDE-ZJUUUORDSA-N 1 1 301.217 3.079 10 70 DGIEMO COC(=O)c1cc(C[N@@H+](CCc2nccs2)C(C)C)oc1C ZINC000159869639 432699316 /nfs/dbraw/zinc/69/93/16/432699316.db2.gz VEQJCAMUAXXTSC-UHFFFAOYSA-N 1 1 322.430 3.284 10 70 DGIEMO CCn1cc(C2CC[NH+](Cc3nc4ccccc4n3C)CC2)cn1 ZINC000160466581 432723068 /nfs/dbraw/zinc/72/30/68/432723068.db2.gz CZESAPUQGLVCKL-UHFFFAOYSA-N 1 1 323.444 3.169 10 70 DGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000161343570 432774385 /nfs/dbraw/zinc/77/43/85/432774385.db2.gz JEIWCMFKKZTUDE-OAHLLOKOSA-N 1 1 318.852 3.374 10 70 DGIEMO CN(C)C(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2)[nH]1 ZINC000160807352 432742336 /nfs/dbraw/zinc/74/23/36/432742336.db2.gz GRCSSINRAROYPJ-UHFFFAOYSA-N 1 1 305.809 3.002 10 70 DGIEMO CN(C)C(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2)[nH]1 ZINC000160807352 432742338 /nfs/dbraw/zinc/74/23/38/432742338.db2.gz GRCSSINRAROYPJ-UHFFFAOYSA-N 1 1 305.809 3.002 10 70 DGIEMO CC[C@](C)(O)C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000160996080 529372635 /nfs/dbraw/zinc/37/26/35/529372635.db2.gz FZSDRNOCXQJTNT-AWEZNQCLSA-N 1 1 300.240 3.084 10 70 DGIEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160024194 197379883 /nfs/dbraw/zinc/37/98/83/197379883.db2.gz XIGLABBVXLWLEC-GOSISDBHSA-N 1 1 311.429 3.237 10 70 DGIEMO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccccc1F ZINC000159786374 197364301 /nfs/dbraw/zinc/36/43/01/197364301.db2.gz LQIWLRYAAFNYKN-VIFPVBQESA-N 1 1 301.287 3.429 10 70 DGIEMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCC[C@@H]1O ZINC000159770509 432695153 /nfs/dbraw/zinc/69/51/53/432695153.db2.gz DHANBDFCZPINQH-RISCZKNCSA-N 1 1 316.214 3.181 10 70 DGIEMO CC[C@H]1CCCCN1C(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159791641 432695283 /nfs/dbraw/zinc/69/52/83/432695283.db2.gz ZMBDFBIATRABCE-HNNXBMFYSA-N 1 1 323.506 3.187 10 70 DGIEMO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(Br)c1 ZINC000159775123 432695541 /nfs/dbraw/zinc/69/55/41/432695541.db2.gz AWYSMOKLZCOXGK-GWCFXTLKSA-N 1 1 321.222 3.226 10 70 DGIEMO COC(=O)c1ccc(C[N@@H+](CCc2nccs2)C(C)C)cc1 ZINC000159841906 432696859 /nfs/dbraw/zinc/69/68/59/432696859.db2.gz KSFDJDYVFGMTLK-UHFFFAOYSA-N 1 1 318.442 3.383 10 70 DGIEMO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000159805955 432697139 /nfs/dbraw/zinc/69/71/39/432697139.db2.gz DJGNLODHQTUKJR-RVKKMQEKSA-N 1 1 315.461 3.266 10 70 DGIEMO CC(C)CN(C(=O)C[N@@H+](CCc1nccs1)C(C)C)C1CC1 ZINC000159857358 432698843 /nfs/dbraw/zinc/69/88/43/432698843.db2.gz BUWIOSSLFUTHMD-UHFFFAOYSA-N 1 1 323.506 3.043 10 70 DGIEMO Clc1ccc(Cl)c(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000159910811 432700556 /nfs/dbraw/zinc/70/05/56/432700556.db2.gz WSZNDEYHOJIXOW-UHFFFAOYSA-N 1 1 311.216 3.422 10 70 DGIEMO CCCn1cc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000159390445 432682077 /nfs/dbraw/zinc/68/20/77/432682077.db2.gz BAVBHYQTMMGGBJ-UHFFFAOYSA-N 1 1 314.477 3.293 10 70 DGIEMO CCCn1cc(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000159390445 432682079 /nfs/dbraw/zinc/68/20/79/432682079.db2.gz BAVBHYQTMMGGBJ-UHFFFAOYSA-N 1 1 314.477 3.293 10 70 DGIEMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnccn1 ZINC000161071483 432757382 /nfs/dbraw/zinc/75/73/82/432757382.db2.gz BYTVEWPMIVNERK-BPIHKTFHSA-N 1 1 322.456 3.323 10 70 DGIEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000161267330 432770246 /nfs/dbraw/zinc/77/02/46/432770246.db2.gz NXTLWHKIJCLXDW-KBPBESRZSA-N 1 1 302.397 3.378 10 70 DGIEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC(CC)CC)C1 ZINC000160558475 432728385 /nfs/dbraw/zinc/72/83/85/432728385.db2.gz KFLHYQJPPJCNKD-HNNXBMFYSA-N 1 1 306.454 3.228 10 70 DGIEMO CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000160702828 432735768 /nfs/dbraw/zinc/73/57/68/432735768.db2.gz LRSISLSAQCFBIJ-IAGOWNOFSA-N 1 1 306.425 3.262 10 70 DGIEMO CSc1ccc(OCC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160711036 432737760 /nfs/dbraw/zinc/73/77/60/432737760.db2.gz TVHVTTCQHHRATG-QAPCUYQASA-N 1 1 321.486 3.414 10 70 DGIEMO CC(C)Cc1noc(C[N@H+](CCc2nccs2)C(C)C)n1 ZINC000159843943 528680317 /nfs/dbraw/zinc/68/03/17/528680317.db2.gz IIWKQIACPJZJRR-UHFFFAOYSA-N 1 1 308.451 3.178 10 70 DGIEMO CC(C)Cc1noc(C[N@@H+](CCc2nccs2)C(C)C)n1 ZINC000159843943 528680323 /nfs/dbraw/zinc/68/03/23/528680323.db2.gz IIWKQIACPJZJRR-UHFFFAOYSA-N 1 1 308.451 3.178 10 70 DGIEMO CC[C@](C)(O)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000160517365 529372651 /nfs/dbraw/zinc/37/26/51/529372651.db2.gz HGOKVDLWIIOLSW-AWEZNQCLSA-N 1 1 319.232 3.025 10 70 DGIEMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000160131219 197388100 /nfs/dbraw/zinc/38/81/00/197388100.db2.gz MUYFXGYDRMRXJR-KGLIPLIRSA-N 1 1 321.465 3.035 10 70 DGIEMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000160131219 197388101 /nfs/dbraw/zinc/38/81/01/197388101.db2.gz MUYFXGYDRMRXJR-KGLIPLIRSA-N 1 1 321.465 3.035 10 70 DGIEMO c1nc2ccccn2c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000159713983 432694296 /nfs/dbraw/zinc/69/42/96/432694296.db2.gz CUHKCFJXUYUTTH-INIZCTEOSA-N 1 1 321.380 3.400 10 70 DGIEMO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCCN1CCOCC1 ZINC000160010574 432705383 /nfs/dbraw/zinc/70/53/83/432705383.db2.gz YPWURDCNYQHZGG-PEZBUJJGSA-N 1 1 322.880 3.445 10 70 DGIEMO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160460003 432720908 /nfs/dbraw/zinc/72/09/08/432720908.db2.gz WFMKHELHZACFHJ-PMPSAXMXSA-N 1 1 320.502 3.397 10 70 DGIEMO CC[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000159439309 432682885 /nfs/dbraw/zinc/68/28/85/432682885.db2.gz OFXYFLIZSNKREI-IAGOWNOFSA-N 1 1 304.409 3.016 10 70 DGIEMO C[C@@H](CNc1ccnc2c(F)cc(F)cc12)[N@@H+]1CCOC[C@H]1C ZINC000159448220 432684095 /nfs/dbraw/zinc/68/40/95/432684095.db2.gz CVSOHHHBXWJYPW-NWDGAFQWSA-N 1 1 321.371 3.034 10 70 DGIEMO C[C@@H](CNc1ccnc2c(F)cc(F)cc12)[N@H+]1CCOC[C@H]1C ZINC000159448220 432684099 /nfs/dbraw/zinc/68/40/99/432684099.db2.gz CVSOHHHBXWJYPW-NWDGAFQWSA-N 1 1 321.371 3.034 10 70 DGIEMO CSc1ccsc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160551720 432729315 /nfs/dbraw/zinc/72/93/15/432729315.db2.gz BLEOZVKJLXVILU-GFCCVEGCSA-N 1 1 312.504 3.320 10 70 DGIEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCCOCCc1ccccc1)CC2 ZINC000160748868 432738317 /nfs/dbraw/zinc/73/83/17/432738317.db2.gz ZXHKMPPXGLHYPW-UXHICEINSA-N 1 1 317.473 3.263 10 70 DGIEMO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000160316505 526045532 /nfs/dbraw/zinc/04/55/32/526045532.db2.gz IHOJZTKVZILIAU-SFHVURJKSA-N 1 1 310.397 3.116 10 70 DGIEMO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159648544 186133003 /nfs/dbraw/zinc/13/30/03/186133003.db2.gz LHEGSQGUBRTVHS-ROUUACIJSA-N 1 1 315.413 3.221 10 70 DGIEMO Cc1ccc(C)c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159648544 186133005 /nfs/dbraw/zinc/13/30/05/186133005.db2.gz LHEGSQGUBRTVHS-ROUUACIJSA-N 1 1 315.413 3.221 10 70 DGIEMO COC[C@H]1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000159821965 197367548 /nfs/dbraw/zinc/36/75/48/197367548.db2.gz NNFCTRONTYOIRB-BBRMVZONSA-N 1 1 322.836 3.191 10 70 DGIEMO CC[N@@H+](C)C[C@@H]1CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159758403 432695944 /nfs/dbraw/zinc/69/59/44/432695944.db2.gz PRZDANJNVMEUNO-LBPRGKRZSA-N 1 1 305.372 3.291 10 70 DGIEMO COc1ccccc1OCC[N@@H+](CCc1nccs1)C(C)C ZINC000159864494 432700064 /nfs/dbraw/zinc/70/00/64/432700064.db2.gz RZFWKHSETUVPBL-UHFFFAOYSA-N 1 1 320.458 3.484 10 70 DGIEMO FC(F)Oc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000160546851 432726615 /nfs/dbraw/zinc/72/66/15/432726615.db2.gz ZEUARRVDSMOQRS-UHFFFAOYSA-N 1 1 307.344 3.391 10 70 DGIEMO COc1cccc(CCC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160910226 432749892 /nfs/dbraw/zinc/74/98/92/432749892.db2.gz JBUPQKNCGGQAIW-IEBWSBKVSA-N 1 1 303.446 3.255 10 70 DGIEMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnccn1 ZINC000161071350 432757309 /nfs/dbraw/zinc/75/73/09/432757309.db2.gz BYTVEWPMIVNERK-UXDRXVOSSA-N 1 1 322.456 3.323 10 70 DGIEMO COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)C ZINC000161093111 432760210 /nfs/dbraw/zinc/76/02/10/432760210.db2.gz ZCVLLGNNLXBCIY-RAFMOHDBSA-N 1 1 316.489 3.443 10 70 DGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1nccs1 ZINC000161110116 432760248 /nfs/dbraw/zinc/76/02/48/432760248.db2.gz RUQLDQFFFYPCBZ-FZMZJTMJSA-N 1 1 321.421 3.028 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1)c1nccs1 ZINC000161171445 432763065 /nfs/dbraw/zinc/76/30/65/432763065.db2.gz HPPQBXVYAOHASC-GUTXKFCHSA-N 1 1 317.458 3.450 10 70 DGIEMO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000161195639 432764778 /nfs/dbraw/zinc/76/47/78/432764778.db2.gz LHDRQTILXGKNCD-JKSUJKDBSA-N 1 1 311.429 3.169 10 70 DGIEMO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000161195639 432764781 /nfs/dbraw/zinc/76/47/81/432764781.db2.gz LHDRQTILXGKNCD-JKSUJKDBSA-N 1 1 311.429 3.169 10 70 DGIEMO CC[C@H]1C[N@H+](CCC(=O)c2ccc(C)cc2)CCN1CC(F)F ZINC000161309459 432773259 /nfs/dbraw/zinc/77/32/59/432773259.db2.gz FCRBRWPBKCABAJ-INIZCTEOSA-N 1 1 324.415 3.229 10 70 DGIEMO CC[C@H]1C[N@@H+](CCC(=O)c2ccc(C)cc2)CCN1CC(F)F ZINC000161309459 432773263 /nfs/dbraw/zinc/77/32/63/432773263.db2.gz FCRBRWPBKCABAJ-INIZCTEOSA-N 1 1 324.415 3.229 10 70 DGIEMO O[C@H](C[C@@H]1CCC[N@@H+]1CCCN1CCCCC1)c1ccccc1 ZINC000161384117 432776476 /nfs/dbraw/zinc/77/64/76/432776476.db2.gz KAWCAHLTBLZYKN-VQTJNVASSA-N 1 1 316.489 3.451 10 70 DGIEMO O[C@H](C[C@@H]1CCC[N@H+]1CCCN1CCCCC1)c1ccccc1 ZINC000161384117 432776479 /nfs/dbraw/zinc/77/64/79/432776479.db2.gz KAWCAHLTBLZYKN-VQTJNVASSA-N 1 1 316.489 3.451 10 70 DGIEMO CCC[C@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)N(C)C ZINC000161502329 432782895 /nfs/dbraw/zinc/78/28/95/432782895.db2.gz VIBLQRQWCFXMET-QGZVFWFLSA-N 1 1 305.466 3.197 10 70 DGIEMO COc1ccc(Cl)cc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160786840 533851823 /nfs/dbraw/zinc/85/18/23/533851823.db2.gz QAIIZULDVQVWCK-RHSMWYFYSA-N 1 1 309.837 3.476 10 70 DGIEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccnc(C2CC2)n1 ZINC000160234381 197395310 /nfs/dbraw/zinc/39/53/10/197395310.db2.gz FWSSCPYCRYTNJR-PBHICJAKSA-N 1 1 308.429 3.286 10 70 DGIEMO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccccc1F ZINC000159786508 197364376 /nfs/dbraw/zinc/36/43/76/197364376.db2.gz LQIWLRYAAFNYKN-SECBINFHSA-N 1 1 301.287 3.429 10 70 DGIEMO C[C@H](c1ccccc1)[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159465291 197355675 /nfs/dbraw/zinc/35/56/75/197355675.db2.gz DICHWFRNXCLAKQ-PVAVHDDUSA-N 1 1 301.386 3.165 10 70 DGIEMO C[C@H](c1ccccc1)[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159465291 197355677 /nfs/dbraw/zinc/35/56/77/197355677.db2.gz DICHWFRNXCLAKQ-PVAVHDDUSA-N 1 1 301.386 3.165 10 70 DGIEMO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(Br)c1 ZINC000159774843 432695040 /nfs/dbraw/zinc/69/50/40/432695040.db2.gz AWYSMOKLZCOXGK-GXFFZTMASA-N 1 1 321.222 3.226 10 70 DGIEMO CC[N@H+](CCc1nccs1)Cc1ccn(-c2ccccc2)n1 ZINC000159384969 432682202 /nfs/dbraw/zinc/68/22/02/432682202.db2.gz PHFPLLBXWFHOAD-UHFFFAOYSA-N 1 1 312.442 3.393 10 70 DGIEMO CC[N@@H+](CCc1nccs1)Cc1ccn(-c2ccccc2)n1 ZINC000159384969 432682206 /nfs/dbraw/zinc/68/22/06/432682206.db2.gz PHFPLLBXWFHOAD-UHFFFAOYSA-N 1 1 312.442 3.393 10 70 DGIEMO COc1cccc(CCC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160910361 432749641 /nfs/dbraw/zinc/74/96/41/432749641.db2.gz JBUPQKNCGGQAIW-MJGOQNOKSA-N 1 1 303.446 3.255 10 70 DGIEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000161295865 432771222 /nfs/dbraw/zinc/77/12/22/432771222.db2.gz DGNKUGXXSVGQAJ-DZGCQCFKSA-N 1 1 302.397 3.378 10 70 DGIEMO COc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl ZINC000161395112 432776395 /nfs/dbraw/zinc/77/63/95/432776395.db2.gz RNONDLOUUVPMQJ-RHSMWYFYSA-N 1 1 309.837 3.476 10 70 DGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSc2ccccc21 ZINC000160578799 432728740 /nfs/dbraw/zinc/72/87/40/432728740.db2.gz WPUHXRVYKOXRSJ-GDBMZVCRSA-N 1 1 318.486 3.113 10 70 DGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1nccs1 ZINC000161157700 292829350 /nfs/dbraw/zinc/82/93/50/292829350.db2.gz DGAMSGXGEVPFQM-GXTWGEPZSA-N 1 1 315.442 3.162 10 70 DGIEMO CCO[C@H](C)c1noc(C[N@H+](CCc2nccs2)C(C)C)n1 ZINC000159854580 528019050 /nfs/dbraw/zinc/01/90/50/528019050.db2.gz QMGMCQJIRFEGBM-GFCCVEGCSA-N 1 1 324.450 3.077 10 70 DGIEMO CCO[C@H](C)c1noc(C[N@@H+](CCc2nccs2)C(C)C)n1 ZINC000159854580 528019054 /nfs/dbraw/zinc/01/90/54/528019054.db2.gz QMGMCQJIRFEGBM-GFCCVEGCSA-N 1 1 324.450 3.077 10 70 DGIEMO CCc1oc(C(=O)OC)cc1C[N@@H+](CC)CCc1nccs1 ZINC000159419969 197352630 /nfs/dbraw/zinc/35/26/30/197352630.db2.gz DNOWUYQLHJNZTG-UHFFFAOYSA-N 1 1 322.430 3.150 10 70 DGIEMO CC[N@@H+](CCc1nccs1)Cc1ccc(F)cc1C(=O)OC ZINC000159378449 197349858 /nfs/dbraw/zinc/34/98/58/197349858.db2.gz WVBSJYKFOPODEQ-UHFFFAOYSA-N 1 1 322.405 3.133 10 70 DGIEMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159913691 276154069 /nfs/dbraw/zinc/15/40/69/276154069.db2.gz STRITLJVRZYLDK-HZPDHXFCSA-N 1 1 316.445 3.279 10 70 DGIEMO CC(C)COc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC000159766401 432696476 /nfs/dbraw/zinc/69/64/76/432696476.db2.gz MEFRJYYSGFPZFY-OAHLLOKOSA-N 1 1 306.450 3.239 10 70 DGIEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000159996261 432702823 /nfs/dbraw/zinc/70/28/23/432702823.db2.gz KOKOCBJKCCDEMR-UKRRQHHQSA-N 1 1 324.415 3.401 10 70 DGIEMO COc1cccc([C@H](C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160440515 432720804 /nfs/dbraw/zinc/72/08/04/432720804.db2.gz IBSDECMXCZOFLF-DOTOQJQBSA-N 1 1 318.461 3.035 10 70 DGIEMO Cc1ccc(O)c(CNC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000159389599 432682352 /nfs/dbraw/zinc/68/23/52/432682352.db2.gz MWNKLBUFZYRNFQ-UHFFFAOYSA-N 1 1 313.445 3.096 10 70 DGIEMO Cc1ccc(O)c(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000159389599 432682357 /nfs/dbraw/zinc/68/23/57/432682357.db2.gz MWNKLBUFZYRNFQ-UHFFFAOYSA-N 1 1 313.445 3.096 10 70 DGIEMO COc1ccc(OCCC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160968328 432750595 /nfs/dbraw/zinc/75/05/95/432750595.db2.gz HTNVNUQFMQONIJ-APWZRJJASA-N 1 1 319.445 3.091 10 70 DGIEMO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cs1 ZINC000161006728 432753897 /nfs/dbraw/zinc/75/38/97/432753897.db2.gz IAADGEDSLNVGES-CKEIUWERSA-N 1 1 324.490 3.368 10 70 DGIEMO CCO[C@H](C)c1nc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cs1 ZINC000161006728 432753904 /nfs/dbraw/zinc/75/39/04/432753904.db2.gz IAADGEDSLNVGES-CKEIUWERSA-N 1 1 324.490 3.368 10 70 DGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000161308724 432772273 /nfs/dbraw/zinc/77/22/73/432772273.db2.gz JJIKKSVVRVQXMK-AWEZNQCLSA-N 1 1 304.825 3.331 10 70 DGIEMO CC[C@@](C)(O)C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000160680310 529508166 /nfs/dbraw/zinc/50/81/66/529508166.db2.gz GRGJFYAMZCJSNY-LJQANCHMSA-N 1 1 315.461 3.390 10 70 DGIEMO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000161383611 529509125 /nfs/dbraw/zinc/50/91/25/529509125.db2.gz CSLVJMAMSQSSRC-LSDHHAIUSA-N 1 1 317.351 3.240 10 70 DGIEMO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000161383611 529509127 /nfs/dbraw/zinc/50/91/27/529509127.db2.gz CSLVJMAMSQSSRC-LSDHHAIUSA-N 1 1 317.351 3.240 10 70 DGIEMO CC[C@@H]1CCCCCN1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000160904080 400736653 /nfs/dbraw/zinc/73/66/53/400736653.db2.gz GBOFGPDOIMKAHU-HUUCEWRRSA-N 1 1 307.438 3.247 10 70 DGIEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCOc1ccc(Cl)cc1)CC2 ZINC000160807386 228249453 /nfs/dbraw/zinc/24/94/53/228249453.db2.gz FKLBTUCLTLPIBK-PBHICJAKSA-N 1 1 309.837 3.346 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc2c(c1)OCCO2 ZINC000159825060 432697509 /nfs/dbraw/zinc/69/75/09/432697509.db2.gz RRVGIBFHVJZARF-UHFFFAOYSA-N 1 1 318.442 3.367 10 70 DGIEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000159996393 432702537 /nfs/dbraw/zinc/70/25/37/432702537.db2.gz KOKOCBJKCCDEMR-HIFRSBDPSA-N 1 1 324.415 3.401 10 70 DGIEMO CC[C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000159439167 432683894 /nfs/dbraw/zinc/68/38/94/432683894.db2.gz OFXYFLIZSNKREI-SJORKVTESA-N 1 1 304.409 3.016 10 70 DGIEMO CC[N@H+](Cc1cnn(C)c1)Cc1csc(Br)c1 ZINC000161123394 432760730 /nfs/dbraw/zinc/76/07/30/432760730.db2.gz PQLWYMSXXAFYOB-UHFFFAOYSA-N 1 1 314.252 3.266 10 70 DGIEMO CC[N@@H+](Cc1cnn(C)c1)Cc1csc(Br)c1 ZINC000161123394 432760734 /nfs/dbraw/zinc/76/07/34/432760734.db2.gz PQLWYMSXXAFYOB-UHFFFAOYSA-N 1 1 314.252 3.266 10 70 DGIEMO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1C)c1nccs1 ZINC000161140712 432761987 /nfs/dbraw/zinc/76/19/87/432761987.db2.gz JRSFZDLXDLXIRP-HIFRSBDPSA-N 1 1 317.458 3.197 10 70 DGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000161343677 432774531 /nfs/dbraw/zinc/77/45/31/432774531.db2.gz JEIWCMFKKZTUDE-HNNXBMFYSA-N 1 1 318.852 3.374 10 70 DGIEMO CS[C@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000161414990 432778680 /nfs/dbraw/zinc/77/86/80/432778680.db2.gz VSSWEFIAGUAUMH-NVXWUHKLSA-N 1 1 320.502 3.299 10 70 DGIEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC(CC)CC)C1 ZINC000160558354 432729190 /nfs/dbraw/zinc/72/91/90/432729190.db2.gz KFLHYQJPPJCNKD-OAHLLOKOSA-N 1 1 306.454 3.228 10 70 DGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSc2ccccc21 ZINC000160578926 432729273 /nfs/dbraw/zinc/72/92/73/432729273.db2.gz WPUHXRVYKOXRSJ-ZBFHGGJFSA-N 1 1 318.486 3.113 10 70 DGIEMO O[C@H](C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000160633470 432732277 /nfs/dbraw/zinc/73/22/77/432732277.db2.gz FBQFXCVRGXLXQS-DJIMGWMZSA-N 1 1 309.837 3.000 10 70 DGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1nccs1 ZINC000161093270 292828181 /nfs/dbraw/zinc/82/81/81/292828181.db2.gz KYXJDKQGCAWBFP-SMDDNHRTSA-N 1 1 321.421 3.028 10 70 DGIEMO CC[C@@](C)(O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000160720192 529508267 /nfs/dbraw/zinc/50/82/67/529508267.db2.gz IBTXDPDMAOCQGR-CYBMUJFWSA-N 1 1 304.203 3.181 10 70 DGIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000161254964 197478825 /nfs/dbraw/zinc/47/88/25/197478825.db2.gz VNUJMIVYHNXHTG-ROHVMALMSA-N 1 1 304.409 3.074 10 70 DGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)NC1CCC(C)CC1)c1nccs1 ZINC000161143833 286927645 /nfs/dbraw/zinc/92/76/45/286927645.db2.gz OPXFZXRWVJISBP-FKZOYECMSA-N 1 1 309.479 3.267 10 70 DGIEMO C[C@H]1C[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000159842335 432698304 /nfs/dbraw/zinc/69/83/04/432698304.db2.gz HUACREJJIUQRDM-SMDDNHRTSA-N 1 1 319.392 3.046 10 70 DGIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000159565677 432686358 /nfs/dbraw/zinc/68/63/58/432686358.db2.gz NMEQBBOJNUMBRX-GXSJLCMTSA-N 1 1 301.217 3.079 10 70 DGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1)c1nccs1 ZINC000161136885 432761970 /nfs/dbraw/zinc/76/19/70/432761970.db2.gz GGLPDUXLBSVWBE-BXUZGUMPSA-N 1 1 319.430 3.220 10 70 DGIEMO Cc1ccc(/C=C/CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000161216603 432767209 /nfs/dbraw/zinc/76/72/09/432767209.db2.gz JIUARHPVBYCQQU-OZZQIWQLSA-N 1 1 300.446 3.243 10 70 DGIEMO CC[C@](C)(O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000160809691 432742704 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ZINC000161098497 292828050 /nfs/dbraw/zinc/82/80/50/292828050.db2.gz YXGQTNJOGPMHMW-UKRRQHHQSA-N 1 1 317.458 3.231 10 70 DGIEMO CC[C@](C)(O)C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000160680165 529372812 /nfs/dbraw/zinc/37/28/12/529372812.db2.gz GRGJFYAMZCJSNY-IBGZPJMESA-N 1 1 315.461 3.390 10 70 DGIEMO CC[C@](C)(O)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000161383524 529374293 /nfs/dbraw/zinc/37/42/93/529374293.db2.gz CSLVJMAMSQSSRC-GJZGRUSLSA-N 1 1 317.351 3.240 10 70 DGIEMO CC[C@](C)(O)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000161383524 529374295 /nfs/dbraw/zinc/37/42/95/529374295.db2.gz CSLVJMAMSQSSRC-GJZGRUSLSA-N 1 1 317.351 3.240 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)C1CCCCC1 ZINC000159847713 432697318 /nfs/dbraw/zinc/69/73/18/432697318.db2.gz PUOPGVNWEYHVRU-UHFFFAOYSA-N 1 1 323.506 3.187 10 70 DGIEMO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000160420851 432719751 /nfs/dbraw/zinc/71/97/51/432719751.db2.gz KBXQVIFBEATCBL-COXVUDFISA-N 1 1 306.425 3.260 10 70 DGIEMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)[nH]1 ZINC000160494011 432722742 /nfs/dbraw/zinc/72/27/42/432722742.db2.gz YOYSOGKZKDERGD-ZDUSSCGKSA-N 1 1 302.422 3.253 10 70 DGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000159565548 432686158 /nfs/dbraw/zinc/68/61/58/432686158.db2.gz NMEQBBOJNUMBRX-MWLCHTKSSA-N 1 1 301.217 3.079 10 70 DGIEMO NC(=O)[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccc(F)cc1 ZINC000159536470 432686983 /nfs/dbraw/zinc/68/69/83/432686983.db2.gz CEBQAFGFOWBQPH-DLBZAZTESA-N 1 1 316.351 3.158 10 70 DGIEMO Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2)c(-c2cccnc2)n1 ZINC000161144472 432761161 /nfs/dbraw/zinc/76/11/61/432761161.db2.gz UKPHPTQUIMVMTE-UHFFFAOYSA-N 1 1 310.376 3.253 10 70 DGIEMO O[C@H](C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000160810888 432742995 /nfs/dbraw/zinc/74/29/95/432742995.db2.gz OBQWCHHLVZLJAI-DJIMGWMZSA-N 1 1 309.837 3.000 10 70 DGIEMO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(Cl)cc1F ZINC000161375434 292834670 /nfs/dbraw/zinc/83/46/70/292834670.db2.gz UCFXATTWUMBQPR-CQSZACIVSA-N 1 1 324.783 3.413 10 70 DGIEMO CC[C@@H]1CCCCCN1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000160903827 400735846 /nfs/dbraw/zinc/73/58/46/400735846.db2.gz GBOFGPDOIMKAHU-CABCVRRESA-N 1 1 307.438 3.247 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1nc(-c2ccco2)no1 ZINC000159787175 432694990 /nfs/dbraw/zinc/69/49/90/432694990.db2.gz NCJZHAKRNWXMOI-UHFFFAOYSA-N 1 1 318.402 3.239 10 70 DGIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1cccc(F)c1 ZINC000159762259 432695574 /nfs/dbraw/zinc/69/55/74/432695574.db2.gz OTJVVHULHXQJFV-UHFFFAOYSA-N 1 1 321.421 3.174 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1cccc(F)c1 ZINC000159762259 432695579 /nfs/dbraw/zinc/69/55/79/432695579.db2.gz OTJVVHULHXQJFV-UHFFFAOYSA-N 1 1 321.421 3.174 10 70 DGIEMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159770361 432696393 /nfs/dbraw/zinc/69/63/93/432696393.db2.gz DHANBDFCZPINQH-FZMZJTMJSA-N 1 1 316.214 3.181 10 70 DGIEMO CC(C)[N@@H+](CCCCCn1cccn1)CCc1nccs1 ZINC000159860496 432700019 /nfs/dbraw/zinc/70/00/19/432700019.db2.gz XHDIWYZTRYPBSC-UHFFFAOYSA-N 1 1 306.479 3.463 10 70 DGIEMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000159872549 432700029 /nfs/dbraw/zinc/70/00/29/432700029.db2.gz ZSVUMVYIQOVCGL-UHFFFAOYSA-N 1 1 311.429 3.132 10 70 DGIEMO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000159872549 432700032 /nfs/dbraw/zinc/70/00/32/432700032.db2.gz ZSVUMVYIQOVCGL-UHFFFAOYSA-N 1 1 311.429 3.132 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000159898234 432701976 /nfs/dbraw/zinc/70/19/76/432701976.db2.gz ZNWWUAYWKJGLQI-CABCVRRESA-N 1 1 323.506 3.091 10 70 DGIEMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159913818 432702039 /nfs/dbraw/zinc/70/20/39/432702039.db2.gz STRITLJVRZYLDK-CVEARBPZSA-N 1 1 316.445 3.279 10 70 DGIEMO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160460271 432720322 /nfs/dbraw/zinc/72/03/22/432720322.db2.gz WFMKHELHZACFHJ-OWCLPIDISA-N 1 1 320.502 3.397 10 70 DGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1nccs1 ZINC000161057869 432755914 /nfs/dbraw/zinc/75/59/14/432755914.db2.gz FNULMAJSRHJWTI-GWCFXTLKSA-N 1 1 307.394 3.350 10 70 DGIEMO CN(CC[N@H+]1CCC[C@@H]1c1ccncc1)Cc1ccc(F)cc1 ZINC000161166073 432763579 /nfs/dbraw/zinc/76/35/79/432763579.db2.gz NZULIKZKPQAPEI-LJQANCHMSA-N 1 1 313.420 3.490 10 70 DGIEMO C[N@H+](CCN1CCC[C@@H]1c1ccncc1)Cc1ccc(F)cc1 ZINC000161166073 432763583 /nfs/dbraw/zinc/76/35/83/432763583.db2.gz NZULIKZKPQAPEI-LJQANCHMSA-N 1 1 313.420 3.490 10 70 DGIEMO C[N@@H+](CCN1CCC[C@@H]1c1ccncc1)Cc1ccc(F)cc1 ZINC000161166073 432763589 /nfs/dbraw/zinc/76/35/89/432763589.db2.gz NZULIKZKPQAPEI-LJQANCHMSA-N 1 1 313.420 3.490 10 70 DGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C)cc1)c1nccs1 ZINC000161174693 432765571 /nfs/dbraw/zinc/76/55/71/432765571.db2.gz WOWSHQQDDJQGGW-DZGCQCFKSA-N 1 1 317.458 3.197 10 70 DGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1)c1nccs1 ZINC000161136640 292828909 /nfs/dbraw/zinc/82/89/09/292828909.db2.gz GGLPDUXLBSVWBE-SMDDNHRTSA-N 1 1 319.430 3.220 10 70 DGIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)c1ccccc1 ZINC000159837061 432697183 /nfs/dbraw/zinc/69/71/83/432697183.db2.gz RBROIZDTRHZQPA-UHFFFAOYSA-N 1 1 317.458 3.059 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)c1ccccc1 ZINC000159837061 432697186 /nfs/dbraw/zinc/69/71/86/432697186.db2.gz RBROIZDTRHZQPA-UHFFFAOYSA-N 1 1 317.458 3.059 10 70 DGIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1ccccc1F ZINC000159915125 432701756 /nfs/dbraw/zinc/70/17/56/432701756.db2.gz OGNRVRRWPBMPLH-UHFFFAOYSA-N 1 1 321.421 3.174 10 70 DGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1ccccc1F ZINC000159915125 432701759 /nfs/dbraw/zinc/70/17/59/432701759.db2.gz OGNRVRRWPBMPLH-UHFFFAOYSA-N 1 1 321.421 3.174 10 70 DGIEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000161339324 432774761 /nfs/dbraw/zinc/77/47/61/432774761.db2.gz RJFUSDMGPXJNNY-GFCCVEGCSA-N 1 1 322.815 3.470 10 70 DGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000161339324 432774765 /nfs/dbraw/zinc/77/47/65/432774765.db2.gz RJFUSDMGPXJNNY-GFCCVEGCSA-N 1 1 322.815 3.470 10 70 DGIEMO C[N@@H+](CCN1CCCC[C@@H]1c1cn[nH]c1)Cc1ccc(F)cc1 ZINC000160566979 432728882 /nfs/dbraw/zinc/72/88/82/432728882.db2.gz IIHAWBGTYWWENT-GOSISDBHSA-N 1 1 316.424 3.208 10 70 DGIEMO CN(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Cc1ccc(F)cc1 ZINC000160566979 432728884 /nfs/dbraw/zinc/72/88/84/432728884.db2.gz IIHAWBGTYWWENT-GOSISDBHSA-N 1 1 316.424 3.208 10 70 DGIEMO CN(CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Cc1ccc(F)cc1 ZINC000160566979 432728888 /nfs/dbraw/zinc/72/88/88/432728888.db2.gz IIHAWBGTYWWENT-GOSISDBHSA-N 1 1 316.424 3.208 10 70 DGIEMO CSc1ccc(OCC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160710912 432737239 /nfs/dbraw/zinc/73/72/39/432737239.db2.gz TVHVTTCQHHRATG-CRAIPNDOSA-N 1 1 321.486 3.414 10 70 DGIEMO NC(=O)[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccc(F)cc1 ZINC000159536313 292794569 /nfs/dbraw/zinc/79/45/69/292794569.db2.gz CEBQAFGFOWBQPH-IAGOWNOFSA-N 1 1 316.351 3.158 10 70 DGIEMO