smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1SCC[N@H+](CCCN2CCCCC2)[C@@H]1C ZINC000161160341 534133723 /nfs/dbraw/zinc/13/37/23/534133723.db2.gz MUSPACNTITXQCK-ZIAGYGMSSA-N 1 3 256.459 2.688 20 70 CFIDHO C[C@H]1SCC[N@@H+](CCCN2CCCCC2)[C@@H]1C ZINC000161160341 534133729 /nfs/dbraw/zinc/13/37/29/534133729.db2.gz MUSPACNTITXQCK-ZIAGYGMSSA-N 1 3 256.459 2.688 20 70 CFIDHO CN(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000161118061 522099489 /nfs/dbraw/zinc/09/94/89/522099489.db2.gz QCJHHRNFJLNVEX-HZSPNIEDSA-N 1 3 268.445 2.795 20 70 CFIDHO C[NH+](C)[C@H]1CCC[C@@H](N[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000161118061 522099493 /nfs/dbraw/zinc/09/94/93/522099493.db2.gz QCJHHRNFJLNVEX-HZSPNIEDSA-N 1 3 268.445 2.795 20 70 CFIDHO CC[C@H](Cc1ccc(Cl)cc1Cl)NCC[NH3+] ZINC000218291254 348166636 /nfs/dbraw/zinc/16/66/36/348166636.db2.gz JKOBLQCUFCOUKO-LLVKDONJSA-N 1 3 261.196 2.863 20 70 CFIDHO C([NH2+][C@@H]1CCCNCC1)C1C2CC3CC(C2)CC1C3 ZINC000217176728 393756620 /nfs/dbraw/zinc/75/66/20/393756620.db2.gz WDIRYNLCPWUYMT-OBYDGYHJSA-N 1 3 262.441 2.790 20 70 CFIDHO COc1ccccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218125374 397620754 /nfs/dbraw/zinc/62/07/54/397620754.db2.gz NMBKRJLHZOPLHP-UAGQMJEPSA-N 1 3 288.435 2.843 20 70 CFIDHO COc1ccccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218125374 397620759 /nfs/dbraw/zinc/62/07/59/397620759.db2.gz NMBKRJLHZOPLHP-UAGQMJEPSA-N 1 3 288.435 2.843 20 70 CFIDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000160477142 288102802 /nfs/dbraw/zinc/10/28/02/288102802.db2.gz WQFFVTFWECRWJF-RKVPGOIHSA-N 1 3 293.499 2.712 20 70 CFIDHO CC[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1CCOC1 ZINC000159628226 280183523 /nfs/dbraw/zinc/18/35/23/280183523.db2.gz WPAFVXQJDXBCMT-TZMCWYRMSA-N 1 3 268.445 2.700 20 70 CFIDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160402330 322337526 /nfs/dbraw/zinc/33/75/26/322337526.db2.gz ZAYRNOFDPJYZBX-AHCXZYCDSA-N 1 3 295.515 2.815 20 70 CFIDHO CC(C)(C)CCN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161292058 518649413 /nfs/dbraw/zinc/64/94/13/518649413.db2.gz BWGGQKICUBCXOK-UHFFFAOYSA-N 1 3 295.515 2.916 20 70 CFIDHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CCCCC2)N(C)C)CCN1C ZINC000160392177 525265942 /nfs/dbraw/zinc/26/59/42/525265942.db2.gz DFZNPADUUZNZCQ-PVAVHDDUSA-N 1 3 281.488 2.569 20 70 CFIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1F ZINC000160150002 378751971 /nfs/dbraw/zinc/75/19/71/378751971.db2.gz XAEOEDYRDMETDD-AWEZNQCLSA-N 1 3 293.430 2.502 20 70 CFIDHO CCCN1CCC([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000160927654 378809725 /nfs/dbraw/zinc/80/97/25/378809725.db2.gz UJWSQZBKZPAZDE-QGZVFWFLSA-N 1 3 276.424 2.574 20 70 CFIDHO CN1CCN(CCC[NH+]2CCCCC2)C2(CCCCC2)C1 ZINC000161397798 523897521 /nfs/dbraw/zinc/89/75/21/523897521.db2.gz AEAHFIGJGJTCGQ-UHFFFAOYSA-N 1 3 293.499 2.813 20 70 CFIDHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@H](C)[NH3+] ZINC000218302620 541028401 /nfs/dbraw/zinc/02/84/01/541028401.db2.gz PDWUBLPQWIGEEV-VHSXEESVSA-N 1 3 260.303 2.573 20 70 CFIDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H](CCCO)c1ccccc1 ZINC000160773543 378798377 /nfs/dbraw/zinc/79/83/77/378798377.db2.gz LDQRCWZABSOUOI-LMSBXDPUSA-N 1 3 290.451 2.819 20 70 CFIDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H](CCCO)c1ccccc1 ZINC000160773543 378798382 /nfs/dbraw/zinc/79/83/82/378798382.db2.gz LDQRCWZABSOUOI-LMSBXDPUSA-N 1 3 290.451 2.819 20 70 CFIDHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000160276747 394366003 /nfs/dbraw/zinc/36/60/03/394366003.db2.gz JEMASTHOJNSVFI-XHSDSOJGSA-N 1 3 268.445 2.656 20 70 CFIDHO C[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000160853964 279353194 /nfs/dbraw/zinc/35/31/94/279353194.db2.gz HIRSDHJIBOWGSQ-NUJGCVRESA-N 1 3 289.467 2.579 20 70 CFIDHO C1CCC(N2CCC([NH2+][C@@H]3CCCSC3)CC2)C1 ZINC000159638104 322325836 /nfs/dbraw/zinc/32/58/36/322325836.db2.gz DKJOXMVKMCHUGS-CQSZACIVSA-N 1 3 268.470 2.879 20 70 CFIDHO C1CCC([NH+]2CCC(N[C@@H]3CCCSC3)CC2)C1 ZINC000159638104 322325840 /nfs/dbraw/zinc/32/58/40/322325840.db2.gz DKJOXMVKMCHUGS-CQSZACIVSA-N 1 3 268.470 2.879 20 70 CFIDHO CCCC[C@H](COC)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000161088257 521201732 /nfs/dbraw/zinc/20/17/32/521201732.db2.gz PPTBLWQOPOGGHH-ZNMIVQPWSA-N 1 3 256.434 2.654 20 70 CFIDHO CCCC[C@H](COC)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161088257 521201738 /nfs/dbraw/zinc/20/17/38/521201738.db2.gz PPTBLWQOPOGGHH-ZNMIVQPWSA-N 1 3 256.434 2.654 20 70 CFIDHO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H](CN)C1CC1 ZINC000159659735 378722673 /nfs/dbraw/zinc/72/26/73/378722673.db2.gz JMZQAZHMBGNOKB-ZDUSSCGKSA-N 1 3 272.314 2.875 20 70 CFIDHO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H](CN)C1CC1 ZINC000159659735 378722678 /nfs/dbraw/zinc/72/26/78/378722678.db2.gz JMZQAZHMBGNOKB-ZDUSSCGKSA-N 1 3 272.314 2.875 20 70 CFIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000160259761 378759292 /nfs/dbraw/zinc/75/92/92/378759292.db2.gz POPQRRCNAOBLQU-AWEZNQCLSA-N 1 3 293.430 2.502 20 70 CFIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCO2 ZINC000161127611 378824100 /nfs/dbraw/zinc/82/41/00/378824100.db2.gz CQHIRTHDGCOYKD-QEJZJMRPSA-N 1 3 290.407 2.939 20 70 CFIDHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](c2ccccc2)C1 ZINC000161505028 378852961 /nfs/dbraw/zinc/85/29/61/378852961.db2.gz CHPWRENIQNIVPD-DLBZAZTESA-N 1 3 258.409 2.960 20 70 CFIDHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](c2ccccc2)C1 ZINC000161505028 378852966 /nfs/dbraw/zinc/85/29/66/378852966.db2.gz CHPWRENIQNIVPD-DLBZAZTESA-N 1 3 258.409 2.960 20 70 CFIDHO CC(C)COC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161297929 519751587 /nfs/dbraw/zinc/75/15/87/519751587.db2.gz LILKHTZXOZAWCR-UHFFFAOYSA-N 1 3 282.472 2.999 20 70 CFIDHO CCCC[C@H](COC)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000161087992 521200605 /nfs/dbraw/zinc/20/06/05/521200605.db2.gz PPTBLWQOPOGGHH-KFWWJZLASA-N 1 3 256.434 2.654 20 70 CFIDHO CCCC[C@H](COC)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161087992 521200612 /nfs/dbraw/zinc/20/06/12/521200612.db2.gz PPTBLWQOPOGGHH-KFWWJZLASA-N 1 3 256.434 2.654 20 70 CFIDHO CC(C)[C@H]1CC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000160465261 348018288 /nfs/dbraw/zinc/01/82/88/348018288.db2.gz SBUQJVVGOKNRLS-INIZCTEOSA-N 1 3 258.409 2.810 20 70 CFIDHO CC(C)[C@H]1CC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000160465261 348018290 /nfs/dbraw/zinc/01/82/90/348018290.db2.gz SBUQJVVGOKNRLS-INIZCTEOSA-N 1 3 258.409 2.810 20 70 CFIDHO CSCC[C@H](C)[N@H+](C)Cc1cccc2c1CCNC2 ZINC000161506766 348024783 /nfs/dbraw/zinc/02/47/83/348024783.db2.gz BBGDRHBOFNQZAM-ZDUSSCGKSA-N 1 3 278.465 2.906 20 70 CFIDHO CSCC[C@H](C)[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000161506766 348024787 /nfs/dbraw/zinc/02/47/87/348024787.db2.gz BBGDRHBOFNQZAM-ZDUSSCGKSA-N 1 3 278.465 2.906 20 70 CFIDHO C[C@@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161353318 541600904 /nfs/dbraw/zinc/60/09/04/541600904.db2.gz JZYBEMTTZPUUAC-HNNXBMFYSA-N 1 3 267.376 2.965 20 70 CFIDHO CC[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@H]1CCOC1 ZINC000159628470 280183598 /nfs/dbraw/zinc/18/35/98/280183598.db2.gz WPAFVXQJDXBCMT-GXTWGEPZSA-N 1 3 268.445 2.700 20 70 CFIDHO C[C@H]1C[NH+](CCCN2CCCCC2)C[C@H](C)S1 ZINC000161379609 322350796 /nfs/dbraw/zinc/35/07/96/322350796.db2.gz SCBXEXUINDNAGM-KBPBESRZSA-N 1 3 256.459 2.688 20 70 CFIDHO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000161013146 523089655 /nfs/dbraw/zinc/08/96/55/523089655.db2.gz KIGRPLGCBLLSCC-IXDOHACOSA-N 1 3 295.515 2.959 20 70 CFIDHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NCC[NH3+] ZINC000218291195 348166289 /nfs/dbraw/zinc/16/62/89/348166289.db2.gz JKOBLQCUFCOUKO-NSHDSACASA-N 1 3 261.196 2.863 20 70 CFIDHO C[C@@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)CC[N@@H+]1C ZINC000160683982 378791166 /nfs/dbraw/zinc/79/11/66/378791166.db2.gz RSKHMDHQCPNUOX-PVAVHDDUSA-N 1 3 276.424 2.573 20 70 CFIDHO C[C@@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)CC[N@H+]1C ZINC000160683982 378791171 /nfs/dbraw/zinc/79/11/71/378791171.db2.gz RSKHMDHQCPNUOX-PVAVHDDUSA-N 1 3 276.424 2.573 20 70 CFIDHO c1cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2[nH]1 ZINC000218083928 397621142 /nfs/dbraw/zinc/62/11/42/397621142.db2.gz GLBGEYJFPVYQPM-UHFFFAOYSA-N 1 3 269.392 2.884 20 70 CFIDHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000161013014 523248955 /nfs/dbraw/zinc/24/89/55/523248955.db2.gz KIGRPLGCBLLSCC-BRWVUGGUSA-N 1 3 295.515 2.959 20 70 CFIDHO CC(C)[C@@H]1CC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000160465156 348018018 /nfs/dbraw/zinc/01/80/18/348018018.db2.gz SBUQJVVGOKNRLS-MRXNPFEDSA-N 1 3 258.409 2.810 20 70 CFIDHO CC(C)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000160465156 348018023 /nfs/dbraw/zinc/01/80/23/348018023.db2.gz SBUQJVVGOKNRLS-MRXNPFEDSA-N 1 3 258.409 2.810 20 70 CFIDHO CC(C)CCO[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000161404661 540692732 /nfs/dbraw/zinc/69/27/32/540692732.db2.gz RYFPNSIKVYFEEG-QGZVFWFLSA-N 1 3 282.472 2.999 20 70 CFIDHO CC(C)CCO[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000161404661 540692736 /nfs/dbraw/zinc/69/27/36/540692736.db2.gz RYFPNSIKVYFEEG-QGZVFWFLSA-N 1 3 282.472 2.999 20 70 CFIDHO C[C@@H]1[C@H](C)SCC[N@@H+]1CCCN1CCCCC1 ZINC000161160155 278094887 /nfs/dbraw/zinc/09/48/87/278094887.db2.gz MUSPACNTITXQCK-KGLIPLIRSA-N 1 3 256.459 2.688 20 70 CFIDHO C[C@@H]1[C@H](C)SCC[N@H+]1CCCN1CCCCC1 ZINC000161160155 278094888 /nfs/dbraw/zinc/09/48/88/278094888.db2.gz MUSPACNTITXQCK-KGLIPLIRSA-N 1 3 256.459 2.688 20 70 CFIDHO CCN1CC[C@H]([NH2+]C[C@@H](C2CCCCC2)N(C)C)[C@H](C)C1 ZINC000160399012 322337532 /nfs/dbraw/zinc/33/75/32/322337532.db2.gz YHUNMIOACKNDMM-NJAFHUGGSA-N 1 3 295.515 2.817 20 70 CFIDHO CCOC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161113971 529020172 /nfs/dbraw/zinc/02/01/72/529020172.db2.gz CQXBRGBUZPOOPB-INIZCTEOSA-N 1 3 268.445 2.611 20 70 CFIDHO C([NH2+][C@H]1CCCNCC1)C1C2CC3CC(C2)CC1C3 ZINC000217176723 393756707 /nfs/dbraw/zinc/75/67/07/393756707.db2.gz WDIRYNLCPWUYMT-IKXAHOJESA-N 1 3 262.441 2.790 20 70 CFIDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000160477413 394366674 /nfs/dbraw/zinc/36/66/74/394366674.db2.gz WQFFVTFWECRWJF-IIDMSEBBSA-N 1 3 293.499 2.712 20 70 CFIDHO c1cc2cccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)c2[nH]1 ZINC000218104236 397620834 /nfs/dbraw/zinc/62/08/34/397620834.db2.gz MWKSVXGQTJFVLH-ZDUSSCGKSA-N 1 3 269.392 2.742 20 70 CFIDHO c1cc2cccc(CNC[C@@H]3CC[N@@H+](C4CC4)C3)c2[nH]1 ZINC000218104236 397620837 /nfs/dbraw/zinc/62/08/37/397620837.db2.gz MWKSVXGQTJFVLH-ZDUSSCGKSA-N 1 3 269.392 2.742 20 70 CFIDHO c1cc2cccc(CNC[C@@H]3CC[N@H+](C4CC4)C3)c2[nH]1 ZINC000218104236 397620841 /nfs/dbraw/zinc/62/08/41/397620841.db2.gz MWKSVXGQTJFVLH-ZDUSSCGKSA-N 1 3 269.392 2.742 20 70 CFIDHO C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CCCCC2)N(C)C)CCN1C ZINC000160391932 525440263 /nfs/dbraw/zinc/44/02/63/525440263.db2.gz DFZNPADUUZNZCQ-OIISXLGYSA-N 1 3 281.488 2.569 20 70 CFIDHO CSCC[C@@H](C)[N@H+](C)Cc1cccc2c1CCNC2 ZINC000161506874 348024577 /nfs/dbraw/zinc/02/45/77/348024577.db2.gz BBGDRHBOFNQZAM-CYBMUJFWSA-N 1 3 278.465 2.906 20 70 CFIDHO CSCC[C@@H](C)[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000161506874 348024580 /nfs/dbraw/zinc/02/45/80/348024580.db2.gz BBGDRHBOFNQZAM-CYBMUJFWSA-N 1 3 278.465 2.906 20 70 CFIDHO CCCCN(CCC[NH+]1CCCCC1)CCOC ZINC000161040911 528409267 /nfs/dbraw/zinc/40/92/67/528409267.db2.gz RDLWRSVUSVQMEC-UHFFFAOYSA-N 1 3 256.434 2.611 20 70 CFIDHO c1cc(N2CCC([NH2+]CCCC3CC3)CC2)ccn1 ZINC000161488737 348024722 /nfs/dbraw/zinc/02/47/22/348024722.db2.gz UXGUCIMWIGFKTR-UHFFFAOYSA-N 1 3 259.397 2.830 20 70 CFIDHO C[C@H]([NH3+])CN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000218302564 541028383 /nfs/dbraw/zinc/02/83/83/541028383.db2.gz PDWUBLPQWIGEEV-UWVGGRQHSA-N 1 3 260.303 2.573 20 70 CFIDHO C[C@@H]([NH3+])CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000218302297 541028482 /nfs/dbraw/zinc/02/84/82/541028482.db2.gz WLDBTXAXXDAOQJ-NXEZZACHSA-N 1 3 260.303 2.573 20 70 CFIDHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000160853813 279349895 /nfs/dbraw/zinc/34/98/95/279349895.db2.gz HIRSDHJIBOWGSQ-LZLYRXPVSA-N 1 3 289.467 2.579 20 70 CFIDHO CC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000160355564 322336949 /nfs/dbraw/zinc/33/69/49/322336949.db2.gz OFFKJUQYHHYLKH-INIZCTEOSA-N 1 3 289.467 2.712 20 70 CFIDHO CCCC[C@@H](COC)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000161088104 521058487 /nfs/dbraw/zinc/05/84/87/521058487.db2.gz PPTBLWQOPOGGHH-KKUMJFAQSA-N 1 3 256.434 2.654 20 70 CFIDHO CCCC[C@@H](COC)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161088104 521058491 /nfs/dbraw/zinc/05/84/91/521058491.db2.gz PPTBLWQOPOGGHH-KKUMJFAQSA-N 1 3 256.434 2.654 20 70 CFIDHO CC[C@@H]1C[N@H+](CCCN2CCCCC2)CCS1 ZINC000161383618 523438509 /nfs/dbraw/zinc/43/85/09/523438509.db2.gz WLMWMDALUUFOHL-CQSZACIVSA-N 1 3 256.459 2.690 20 70 CFIDHO CC[C@@H]1C[N@@H+](CCCN2CCCCC2)CCS1 ZINC000161383618 523438510 /nfs/dbraw/zinc/43/85/10/523438510.db2.gz WLMWMDALUUFOHL-CQSZACIVSA-N 1 3 256.459 2.690 20 70 CFIDHO CC[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000161204570 378831532 /nfs/dbraw/zinc/83/15/32/378831532.db2.gz WBTISJNVAYBUJH-CQSZACIVSA-N 1 3 276.424 2.531 20 70 CFIDHO C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCOCC1 ZINC000159640725 322325803 /nfs/dbraw/zinc/32/58/03/322325803.db2.gz CZBYXMNMGZIIBD-GFCCVEGCSA-N 1 3 268.445 2.700 20 70 CFIDHO CC[C@@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000160323828 322336364 /nfs/dbraw/zinc/33/63/64/322336364.db2.gz ZYEYTMYYAJDJNI-MRXNPFEDSA-N 1 3 289.467 2.712 20 70 CFIDHO CC[C@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000160323915 322336438 /nfs/dbraw/zinc/33/64/38/322336438.db2.gz ZYEYTMYYAJDJNI-INIZCTEOSA-N 1 3 289.467 2.712 20 70 CFIDHO CCCN1CCC([NH2+]C[C@H](C2CCCCC2)N(C)C)CC1 ZINC000160386164 541414076 /nfs/dbraw/zinc/41/40/76/541414076.db2.gz SLBUFHGUFMTLTF-GOSISDBHSA-N 1 3 295.515 2.961 20 70 CFIDHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160052047 378744884 /nfs/dbraw/zinc/74/48/84/378744884.db2.gz IWLXVRVJVJFNBD-GDBMZVCRSA-N 1 3 291.439 2.689 20 70 CFIDHO CC[N@@H+]1CCC[C@H]1CNCc1cccc2cc[nH]c21 ZINC000218072319 382788812 /nfs/dbraw/zinc/78/88/12/382788812.db2.gz QTTZUYFASSOTNU-HNNXBMFYSA-N 1 3 257.381 2.742 20 70 CFIDHO CC[N@H+]1CCC[C@H]1CNCc1cccc2cc[nH]c21 ZINC000218072319 382788813 /nfs/dbraw/zinc/78/88/13/382788813.db2.gz QTTZUYFASSOTNU-HNNXBMFYSA-N 1 3 257.381 2.742 20 70 CFIDHO CCCC[C@@H](COC)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000161087859 521060006 /nfs/dbraw/zinc/06/00/06/521060006.db2.gz PPTBLWQOPOGGHH-ILXRZTDVSA-N 1 3 256.434 2.654 20 70 CFIDHO CCCC[C@@H](COC)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161087859 521060015 /nfs/dbraw/zinc/06/00/15/521060015.db2.gz PPTBLWQOPOGGHH-ILXRZTDVSA-N 1 3 256.434 2.654 20 70 CFIDHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@H](C)[NH3+] ZINC000218302405 541028493 /nfs/dbraw/zinc/02/84/93/541028493.db2.gz WLDBTXAXXDAOQJ-VHSXEESVSA-N 1 3 260.303 2.573 20 70 CFIDHO CCCN1CCC([NH2+]C[C@@H](C2CCCCC2)N(C)C)CC1 ZINC000160386032 541413945 /nfs/dbraw/zinc/41/39/45/541413945.db2.gz SLBUFHGUFMTLTF-SFHVURJKSA-N 1 3 295.515 2.961 20 70 CFIDHO CCN1CC[C@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160051907 378745522 /nfs/dbraw/zinc/74/55/22/378745522.db2.gz IWLXVRVJVJFNBD-ZBFHGGJFSA-N 1 3 291.439 2.689 20 70 CFIDHO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000161077173 378819478 /nfs/dbraw/zinc/81/94/78/378819478.db2.gz NTKFXLKPODLINV-FGTMMUONSA-N 1 3 290.451 2.707 20 70 CFIDHO CN1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000161442923 378847283 /nfs/dbraw/zinc/84/72/83/378847283.db2.gz KEVKMVVKCZKTLP-QGZVFWFLSA-N 1 3 287.451 2.683 20 70 CFIDHO CN1CCC[C@@H]1CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000161442923 378847288 /nfs/dbraw/zinc/84/72/88/378847288.db2.gz KEVKMVVKCZKTLP-QGZVFWFLSA-N 1 3 287.451 2.683 20 70 CFIDHO Cc1ccc2cc(CN3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000218371811 526230742 /nfs/dbraw/zinc/23/07/42/526230742.db2.gz FKDHNFDICAEESB-DYVFJYSZSA-N 1 3 283.419 2.960 20 70 CFIDHO CC1(C)C[N@H+](CCCN2CCCCC2)CCS1 ZINC000161483277 378851389 /nfs/dbraw/zinc/85/13/89/378851389.db2.gz QYLRUQDCTHSGIN-UHFFFAOYSA-N 1 3 256.459 2.690 20 70 CFIDHO CC1(C)C[N@@H+](CCCN2CCCCC2)CCS1 ZINC000161483277 378851391 /nfs/dbraw/zinc/85/13/91/378851391.db2.gz QYLRUQDCTHSGIN-UHFFFAOYSA-N 1 3 256.459 2.690 20 70 CFIDHO c1ccc([C@H]2CC[N@@H+](CCCN3CCCC3)C2)cc1 ZINC000161505910 378852750 /nfs/dbraw/zinc/85/27/50/378852750.db2.gz NYTVBMOXUQMPAA-KRWDZBQOSA-N 1 3 258.409 2.962 20 70 CFIDHO c1ccc([C@H]2CC[N@H+](CCCN3CCCC3)C2)cc1 ZINC000161505910 378852753 /nfs/dbraw/zinc/85/27/53/378852753.db2.gz NYTVBMOXUQMPAA-KRWDZBQOSA-N 1 3 258.409 2.962 20 70 CFIDHO c1ccc([C@H]2CCN(CCC[NH+]3CCCC3)C2)cc1 ZINC000161505910 378852755 /nfs/dbraw/zinc/85/27/55/378852755.db2.gz NYTVBMOXUQMPAA-KRWDZBQOSA-N 1 3 258.409 2.962 20 70 CFIDHO CC[NH+]1CCC(NCc2cccc3cc[nH]c32)CC1 ZINC000218077190 382788884 /nfs/dbraw/zinc/78/88/84/382788884.db2.gz NKXQGKDBVACAHQ-UHFFFAOYSA-N 1 3 257.381 2.742 20 70 CFIDHO CSCC[C@H](C)[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000161494708 322352533 /nfs/dbraw/zinc/35/25/33/322352533.db2.gz MCHIDLFUCUNSHT-ZDUSSCGKSA-N 1 3 278.465 2.906 20 70 CFIDHO CSCC[C@H](C)[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000161494708 322352536 /nfs/dbraw/zinc/35/25/36/322352536.db2.gz MCHIDLFUCUNSHT-ZDUSSCGKSA-N 1 3 278.465 2.906 20 70 CFIDHO CC(C)COC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000161493995 519751452 /nfs/dbraw/zinc/75/14/52/519751452.db2.gz PWWIKAGGKCRQKZ-HNNXBMFYSA-N 1 3 268.445 2.608 20 70 CFIDHO C[C@H]([NH3+])CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000218302341 541028330 /nfs/dbraw/zinc/02/83/30/541028330.db2.gz WLDBTXAXXDAOQJ-UWVGGRQHSA-N 1 3 260.303 2.573 20 70 CFIDHO C[C@@H]1C[C@H](N[C@@H](CCCO)c2ccccc2)CC[N@@H+]1C ZINC000160683731 378791189 /nfs/dbraw/zinc/79/11/89/378791189.db2.gz RSKHMDHQCPNUOX-OIISXLGYSA-N 1 3 276.424 2.573 20 70 CFIDHO C[C@@H]1C[C@H](N[C@@H](CCCO)c2ccccc2)CC[N@H+]1C ZINC000160683731 378791194 /nfs/dbraw/zinc/79/11/94/378791194.db2.gz RSKHMDHQCPNUOX-OIISXLGYSA-N 1 3 276.424 2.573 20 70 CFIDHO COc1ccccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218125538 382789513 /nfs/dbraw/zinc/78/95/13/382789513.db2.gz NMBKRJLHZOPLHP-XIRDDKMYSA-N 1 3 288.435 2.843 20 70 CFIDHO COc1ccccc1C[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218125538 382789515 /nfs/dbraw/zinc/78/95/15/382789515.db2.gz NMBKRJLHZOPLHP-XIRDDKMYSA-N 1 3 288.435 2.843 20 70 CFIDHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2)CCN1C ZINC000160047385 394366118 /nfs/dbraw/zinc/36/61/18/394366118.db2.gz LZHNARGJXZCPOM-IXDOHACOSA-N 1 3 293.499 2.856 20 70 CFIDHO C1CCC(N2CCC([NH2+][C@H]3CCCSC3)CC2)C1 ZINC000159638245 322325861 /nfs/dbraw/zinc/32/58/61/322325861.db2.gz DKJOXMVKMCHUGS-AWEZNQCLSA-N 1 3 268.470 2.879 20 70 CFIDHO C1CCC([NH+]2CCC(N[C@H]3CCCSC3)CC2)C1 ZINC000159638245 322325863 /nfs/dbraw/zinc/32/58/63/322325863.db2.gz DKJOXMVKMCHUGS-AWEZNQCLSA-N 1 3 268.470 2.879 20 70 CFIDHO CCc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)o1 ZINC000160295253 524025410 /nfs/dbraw/zinc/02/54/10/524025410.db2.gz YQXHPZONDVYZIK-CQSZACIVSA-N 1 3 293.455 2.519 20 70 CFIDHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)N(C)Cc1ccccc1 ZINC000160853703 378804142 /nfs/dbraw/zinc/80/41/42/378804142.db2.gz HIRSDHJIBOWGSQ-JFIYKMOQSA-N 1 3 289.467 2.579 20 70 CFIDHO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc(C)c1O ZINC000217916449 382788392 /nfs/dbraw/zinc/78/83/92/382788392.db2.gz HZQGAZZRTUDSFL-DLBZAZTESA-N 1 3 288.435 2.925 20 70 CFIDHO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc(C)c1O ZINC000217916449 382788393 /nfs/dbraw/zinc/78/83/93/382788393.db2.gz HZQGAZZRTUDSFL-DLBZAZTESA-N 1 3 288.435 2.925 20 70 CFIDHO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217697540 545508350 /nfs/dbraw/zinc/50/83/50/545508350.db2.gz BULIECZHJDYNJY-WBAXXEDZSA-N 1 3 288.435 2.843 20 70 CFIDHO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217697540 545508356 /nfs/dbraw/zinc/50/83/56/545508356.db2.gz BULIECZHJDYNJY-WBAXXEDZSA-N 1 3 288.435 2.843 20 70 CFIDHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000160020802 378743888 /nfs/dbraw/zinc/74/38/88/378743888.db2.gz YFRILODACGUORX-INIZCTEOSA-N 1 3 288.435 2.841 20 70 CFIDHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000160020802 378743892 /nfs/dbraw/zinc/74/38/92/378743892.db2.gz YFRILODACGUORX-INIZCTEOSA-N 1 3 288.435 2.841 20 70 CFIDHO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H](CN)C1CC1 ZINC000159659877 378723295 /nfs/dbraw/zinc/72/32/95/378723295.db2.gz JMZQAZHMBGNOKB-CYBMUJFWSA-N 1 3 272.314 2.875 20 70 CFIDHO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@H](CN)C1CC1 ZINC000159659877 378723301 /nfs/dbraw/zinc/72/33/01/378723301.db2.gz JMZQAZHMBGNOKB-CYBMUJFWSA-N 1 3 272.314 2.875 20 70 CFIDHO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](c2ccccc2)C1 ZINC000161505155 378852621 /nfs/dbraw/zinc/85/26/21/378852621.db2.gz CHPWRENIQNIVPD-IRXDYDNUSA-N 1 3 258.409 2.960 20 70 CFIDHO C[N@H+]1CCC[C@H]1CCN1CC[C@H](c2ccccc2)C1 ZINC000161505155 378852625 /nfs/dbraw/zinc/85/26/25/378852625.db2.gz CHPWRENIQNIVPD-IRXDYDNUSA-N 1 3 258.409 2.960 20 70 CFIDHO CC(C)[N@@H+]1CC[C@@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218162434 382789417 /nfs/dbraw/zinc/78/94/17/382789417.db2.gz LDNHPPBCBCAYFX-AWEZNQCLSA-N 1 3 271.408 2.988 20 70 CFIDHO CC(C)[N@H+]1CC[C@@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218162434 382789419 /nfs/dbraw/zinc/78/94/19/382789419.db2.gz LDNHPPBCBCAYFX-AWEZNQCLSA-N 1 3 271.408 2.988 20 70 CFIDHO CC(C)N1CC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218162434 382789421 /nfs/dbraw/zinc/78/94/21/382789421.db2.gz LDNHPPBCBCAYFX-AWEZNQCLSA-N 1 3 271.408 2.988 20 70 CFIDHO C[C@@H]1C[NH+](CCCN2CCCCC2)C[C@@H](C)S1 ZINC000161379696 322350951 /nfs/dbraw/zinc/35/09/51/322350951.db2.gz SCBXEXUINDNAGM-ZIAGYGMSSA-N 1 3 256.459 2.688 20 70 CFIDHO CN(CCC[NH+]1CCCCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161434649 522747915 /nfs/dbraw/zinc/74/79/15/522747915.db2.gz WEGMYKMAKVVBJJ-XHSDSOJGSA-N 1 3 280.456 2.608 20 70 CFIDHO c1cc(N2CC[NH+](CC3CCCCC3)CC2)ccn1 ZINC000161343198 541592492 /nfs/dbraw/zinc/59/24/92/541592492.db2.gz KWTGVQBSCYFJFC-UHFFFAOYSA-N 1 3 259.397 2.784 20 70 CFIDHO CC(C)N1CCC([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000161091657 378820857 /nfs/dbraw/zinc/82/08/57/378820857.db2.gz GDFNDQOTUAEDBJ-QGZVFWFLSA-N 1 3 276.424 2.573 20 70 CFIDHO C[C@H](CCc1ccco1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217697163 382787286 /nfs/dbraw/zinc/78/72/86/382787286.db2.gz GKBDPIIKYNCNDR-KBMXLJTQSA-N 1 3 262.397 2.817 20 70 CFIDHO C[C@H](CCc1ccco1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217697163 382787288 /nfs/dbraw/zinc/78/72/88/382787288.db2.gz GKBDPIIKYNCNDR-KBMXLJTQSA-N 1 3 262.397 2.817 20 70 CFIDHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000160477273 378775816 /nfs/dbraw/zinc/77/58/16/378775816.db2.gz WQFFVTFWECRWJF-VKJFTORMSA-N 1 3 293.499 2.712 20 70 CFIDHO CN1CCC[C@@H]1CC[N@H+](C)CCc1ccc(F)cc1 ZINC000161452367 378848395 /nfs/dbraw/zinc/84/83/95/378848395.db2.gz XHZPXBPTQACTCS-MRXNPFEDSA-N 1 3 264.388 2.784 20 70 CFIDHO CN1CCC[C@@H]1CC[N@@H+](C)CCc1ccc(F)cc1 ZINC000161452367 378848398 /nfs/dbraw/zinc/84/83/98/378848398.db2.gz XHZPXBPTQACTCS-MRXNPFEDSA-N 1 3 264.388 2.784 20 70 CFIDHO C[C@H](CCc1ccco1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217697007 382787444 /nfs/dbraw/zinc/78/74/44/382787444.db2.gz GKBDPIIKYNCNDR-BMFZPTHFSA-N 1 3 262.397 2.817 20 70 CFIDHO C[C@H](CCc1ccco1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217697007 382787446 /nfs/dbraw/zinc/78/74/46/382787446.db2.gz GKBDPIIKYNCNDR-BMFZPTHFSA-N 1 3 262.397 2.817 20 70 CFIDHO Cc1ccc2cc(CN3CC[C@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000218371891 292384448 /nfs/dbraw/zinc/38/44/48/292384448.db2.gz FKDHNFDICAEESB-GUYCJALGSA-N 1 3 283.419 2.960 20 70 CFIDHO CCc1ccc([C@@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC000160769039 322343097 /nfs/dbraw/zinc/34/30/97/322343097.db2.gz RQNWZNRUMJBZNJ-HUUCEWRRSA-N 1 3 294.439 2.730 20 70 CFIDHO CCc1ccc([C@@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000160769039 322343100 /nfs/dbraw/zinc/34/31/00/322343100.db2.gz RQNWZNRUMJBZNJ-HUUCEWRRSA-N 1 3 294.439 2.730 20 70 CFIDHO CCC(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)N(C)C ZINC000217941756 521618201 /nfs/dbraw/zinc/61/82/01/521618201.db2.gz IHXCVSSIFXQSPM-ABFRBSLYSA-N 1 3 283.504 2.671 20 70 CFIDHO CCCCOCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000160248319 520755412 /nfs/dbraw/zinc/75/54/12/520755412.db2.gz BRFKAQWNWFEKMM-UHFFFAOYSA-N 1 3 291.439 2.847 20 70 CFIDHO CCOC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161113865 528923720 /nfs/dbraw/zinc/92/37/20/528923720.db2.gz CQXBRGBUZPOOPB-MRXNPFEDSA-N 1 3 268.445 2.611 20 70 CFIDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@@H](CCCO)c1ccccc1 ZINC000160773981 378798057 /nfs/dbraw/zinc/79/80/57/378798057.db2.gz LDQRCWZABSOUOI-MXSMSXNCSA-N 1 3 290.451 2.819 20 70 CFIDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@@H](CCCO)c1ccccc1 ZINC000160773981 378798062 /nfs/dbraw/zinc/79/80/62/378798062.db2.gz LDQRCWZABSOUOI-MXSMSXNCSA-N 1 3 290.451 2.819 20 70 CFIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000160259888 378759257 /nfs/dbraw/zinc/75/92/57/378759257.db2.gz POPQRRCNAOBLQU-CQSZACIVSA-N 1 3 293.430 2.502 20 70 CFIDHO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000161077285 378819993 /nfs/dbraw/zinc/81/99/93/378819993.db2.gz NTKFXLKPODLINV-SQNIBIBYSA-N 1 3 290.451 2.707 20 70 CFIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCO2 ZINC000161127477 378824432 /nfs/dbraw/zinc/82/44/32/378824432.db2.gz CQHIRTHDGCOYKD-YUELXQCFSA-N 1 3 290.407 2.939 20 70 CFIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCO2 ZINC000161127719 378825086 /nfs/dbraw/zinc/82/50/86/378825086.db2.gz CQHIRTHDGCOYKD-SNPRPXQTSA-N 1 3 290.407 2.939 20 70 CFIDHO CN1CCC[C@H]1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000161443065 378847349 /nfs/dbraw/zinc/84/73/49/378847349.db2.gz KEVKMVVKCZKTLP-KRWDZBQOSA-N 1 3 287.451 2.683 20 70 CFIDHO CN1CCC[C@H]1CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000161443065 378847355 /nfs/dbraw/zinc/84/73/55/378847355.db2.gz KEVKMVVKCZKTLP-KRWDZBQOSA-N 1 3 287.451 2.683 20 70 CFIDHO CC[N@@H+]1CC[C@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218116337 382789354 /nfs/dbraw/zinc/78/93/54/382789354.db2.gz REWLKOCLEMVIBG-CYBMUJFWSA-N 1 3 257.381 2.599 20 70 CFIDHO CC[N@H+]1CC[C@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218116337 382789356 /nfs/dbraw/zinc/78/93/56/382789356.db2.gz REWLKOCLEMVIBG-CYBMUJFWSA-N 1 3 257.381 2.599 20 70 CFIDHO CCN1CC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218116337 382789357 /nfs/dbraw/zinc/78/93/57/382789357.db2.gz REWLKOCLEMVIBG-CYBMUJFWSA-N 1 3 257.381 2.599 20 70 CFIDHO CN(C)[C@H]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000161117934 289376868 /nfs/dbraw/zinc/37/68/68/289376868.db2.gz QCJHHRNFJLNVEX-RDBSUJKOSA-N 1 3 268.445 2.795 20 70 CFIDHO C[NH+](C)[C@H]1CCC[C@@H](N[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000161117934 289376871 /nfs/dbraw/zinc/37/68/71/289376871.db2.gz QCJHHRNFJLNVEX-RDBSUJKOSA-N 1 3 268.445 2.795 20 70 CFIDHO O[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000160452132 322338554 /nfs/dbraw/zinc/33/85/54/322338554.db2.gz ZEOKALWADUDHBO-QAPCUYQASA-N 1 3 294.483 2.924 20 70 CFIDHO O[C@H]1CCCC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000160452132 322338558 /nfs/dbraw/zinc/33/85/58/322338558.db2.gz ZEOKALWADUDHBO-QAPCUYQASA-N 1 3 294.483 2.924 20 70 CFIDHO CCCCOCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000160225400 520758221 /nfs/dbraw/zinc/75/82/21/520758221.db2.gz MDTUTWZBAHPCJO-XHSDSOJGSA-N 1 3 268.445 2.704 20 70 CFIDHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000161017047 523251295 /nfs/dbraw/zinc/25/12/95/523251295.db2.gz AHHYPUKIXKFRNJ-GVDBMIGSSA-N 1 3 295.515 2.817 20 70 CFIDHO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](CN)C1CC1 ZINC000159709045 523270235 /nfs/dbraw/zinc/27/02/35/523270235.db2.gz HQNWWMLJQNYZEY-ZDUSSCGKSA-N 1 3 288.313 2.754 20 70 CFIDHO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](CN)C1CC1 ZINC000159709045 523270237 /nfs/dbraw/zinc/27/02/37/523270237.db2.gz HQNWWMLJQNYZEY-ZDUSSCGKSA-N 1 3 288.313 2.754 20 70 CFIDHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCOCC1 ZINC000160284964 378762429 /nfs/dbraw/zinc/76/24/29/378762429.db2.gz XXXHHDJGIKUNBT-GJZGRUSLSA-N 1 3 268.445 2.656 20 70 CFIDHO C[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000218302242 541028443 /nfs/dbraw/zinc/02/84/43/541028443.db2.gz WLDBTXAXXDAOQJ-ZJUUUORDSA-N 1 3 260.303 2.573 20 70 CFIDHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000160277037 394366063 /nfs/dbraw/zinc/36/60/63/394366063.db2.gz JEMASTHOJNSVFI-JYJNAYRXSA-N 1 3 268.445 2.656 20 70 CFIDHO O[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000160452267 322338508 /nfs/dbraw/zinc/33/85/08/322338508.db2.gz ZEOKALWADUDHBO-MAUKXSAKSA-N 1 3 294.483 2.924 20 70 CFIDHO O[C@@H]1CCCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000160452267 322338510 /nfs/dbraw/zinc/33/85/10/322338510.db2.gz ZEOKALWADUDHBO-MAUKXSAKSA-N 1 3 294.483 2.924 20 70 CFIDHO CSCC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000161494829 322352592 /nfs/dbraw/zinc/35/25/92/322352592.db2.gz MCHIDLFUCUNSHT-CYBMUJFWSA-N 1 3 278.465 2.906 20 70 CFIDHO CSCC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000161494829 322352589 /nfs/dbraw/zinc/35/25/89/322352589.db2.gz MCHIDLFUCUNSHT-CYBMUJFWSA-N 1 3 278.465 2.906 20 70 CFIDHO CN(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000161118290 522099413 /nfs/dbraw/zinc/09/94/13/522099413.db2.gz QCJHHRNFJLNVEX-MELADBBJSA-N 1 3 268.445 2.795 20 70 CFIDHO C[NH+](C)[C@H]1CCC[C@H](N[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000161118290 522099423 /nfs/dbraw/zinc/09/94/23/522099423.db2.gz QCJHHRNFJLNVEX-MELADBBJSA-N 1 3 268.445 2.795 20 70 CFIDHO C[C@H]1C[C@H](N[C@@H](CCCO)c2ccccc2)CC[N@@H+]1C ZINC000160683854 378791407 /nfs/dbraw/zinc/79/14/07/378791407.db2.gz RSKHMDHQCPNUOX-UAGQMJEPSA-N 1 3 276.424 2.573 20 70 CFIDHO C[C@H]1C[C@H](N[C@@H](CCCO)c2ccccc2)CC[N@H+]1C ZINC000160683854 378791413 /nfs/dbraw/zinc/79/14/13/378791413.db2.gz RSKHMDHQCPNUOX-UAGQMJEPSA-N 1 3 276.424 2.573 20 70 CFIDHO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000161076927 378819366 /nfs/dbraw/zinc/81/93/66/378819366.db2.gz NTKFXLKPODLINV-OKZBNKHCSA-N 1 3 290.451 2.707 20 70 CFIDHO CN1CCC[C@H]1CC[N@H+](C)CCc1ccc(F)cc1 ZINC000161452508 378847725 /nfs/dbraw/zinc/84/77/25/378847725.db2.gz XHZPXBPTQACTCS-INIZCTEOSA-N 1 3 264.388 2.784 20 70 CFIDHO CN1CCC[C@H]1CC[N@@H+](C)CCc1ccc(F)cc1 ZINC000161452508 378847730 /nfs/dbraw/zinc/84/77/30/378847730.db2.gz XHZPXBPTQACTCS-INIZCTEOSA-N 1 3 264.388 2.784 20 70 CFIDHO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc(C)c1O ZINC000217916521 382788415 /nfs/dbraw/zinc/78/84/15/382788415.db2.gz HZQGAZZRTUDSFL-IRXDYDNUSA-N 1 3 288.435 2.925 20 70 CFIDHO Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc(C)c1O ZINC000217916521 382788416 /nfs/dbraw/zinc/78/84/16/382788416.db2.gz HZQGAZZRTUDSFL-IRXDYDNUSA-N 1 3 288.435 2.925 20 70 CFIDHO CC(C)[N@@H+]1CC[C@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218162521 382789595 /nfs/dbraw/zinc/78/95/95/382789595.db2.gz LDNHPPBCBCAYFX-CQSZACIVSA-N 1 3 271.408 2.988 20 70 CFIDHO CC(C)[N@H+]1CC[C@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218162521 382789598 /nfs/dbraw/zinc/78/95/98/382789598.db2.gz LDNHPPBCBCAYFX-CQSZACIVSA-N 1 3 271.408 2.988 20 70 CFIDHO CC(C)N1CC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218162521 382789599 /nfs/dbraw/zinc/78/95/99/382789599.db2.gz LDNHPPBCBCAYFX-CQSZACIVSA-N 1 3 271.408 2.988 20 70 CFIDHO CC[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@H]1CCOC1 ZINC000159628347 288033510 /nfs/dbraw/zinc/03/35/10/288033510.db2.gz WPAFVXQJDXBCMT-JSGCOSHPSA-N 1 3 268.445 2.700 20 70 CFIDHO CC(C)COC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000161494109 519751723 /nfs/dbraw/zinc/75/17/23/519751723.db2.gz PWWIKAGGKCRQKZ-OAHLLOKOSA-N 1 3 268.445 2.608 20 70 CFIDHO CCc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)o1 ZINC000160295384 524045449 /nfs/dbraw/zinc/04/54/49/524045449.db2.gz YQXHPZONDVYZIK-AWEZNQCLSA-N 1 3 293.455 2.519 20 70 CFIDHO COc1ccccc1CCNC1CC[NH+](C(C)C)CC1 ZINC000218594686 524422581 /nfs/dbraw/zinc/42/25/81/524422581.db2.gz CCULZINCJCBZMV-UHFFFAOYSA-N 1 3 276.424 2.700 20 70 CFIDHO C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000160854086 279353605 /nfs/dbraw/zinc/35/36/05/279353605.db2.gz HIRSDHJIBOWGSQ-JZXOWHBKSA-N 1 3 289.467 2.579 20 70 CFIDHO c1ccc2c(c1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC000161139683 322348273 /nfs/dbraw/zinc/34/82/73/322348273.db2.gz VAMGKVUDEGWCPI-UHFFFAOYSA-N 1 3 272.436 2.963 20 70 CFIDHO C[C@@H]1SCC[N@H+](CCCN2CCCCC2)[C@H]1C ZINC000161160261 534219500 /nfs/dbraw/zinc/21/95/00/534219500.db2.gz MUSPACNTITXQCK-KBPBESRZSA-N 1 3 256.459 2.688 20 70 CFIDHO C[C@@H]1SCC[N@@H+](CCCN2CCCCC2)[C@H]1C ZINC000161160261 534219507 /nfs/dbraw/zinc/21/95/07/534219507.db2.gz MUSPACNTITXQCK-KBPBESRZSA-N 1 3 256.459 2.688 20 70 CFIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccccc1F ZINC000160150151 378751857 /nfs/dbraw/zinc/75/18/57/378751857.db2.gz XAEOEDYRDMETDD-CQSZACIVSA-N 1 3 293.430 2.502 20 70 CFIDHO CC(C)N(C)CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000218092325 382788696 /nfs/dbraw/zinc/78/86/96/382788696.db2.gz JHWJMEUUEQBQOB-UHFFFAOYSA-N 1 3 259.397 2.988 20 70 CFIDHO CC[N@@H+]1CC[C@@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218116248 382789530 /nfs/dbraw/zinc/78/95/30/382789530.db2.gz REWLKOCLEMVIBG-ZDUSSCGKSA-N 1 3 257.381 2.599 20 70 CFIDHO CC[N@H+]1CC[C@@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218116248 382789533 /nfs/dbraw/zinc/78/95/33/382789533.db2.gz REWLKOCLEMVIBG-ZDUSSCGKSA-N 1 3 257.381 2.599 20 70 CFIDHO CCN1CC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218116248 382789536 /nfs/dbraw/zinc/78/95/36/382789536.db2.gz REWLKOCLEMVIBG-ZDUSSCGKSA-N 1 3 257.381 2.599 20 70 CFIDHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2)CCN1C ZINC000160047124 394365995 /nfs/dbraw/zinc/36/59/95/394365995.db2.gz LZHNARGJXZCPOM-BRWVUGGUSA-N 1 3 293.499 2.856 20 70 CFIDHO C[C@@H]([NH3+])CN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000218302505 541028549 /nfs/dbraw/zinc/02/85/49/541028549.db2.gz PDWUBLPQWIGEEV-NXEZZACHSA-N 1 3 260.303 2.573 20 70 CFIDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H](CCCO)c1ccccc1 ZINC000160773846 378798254 /nfs/dbraw/zinc/79/82/54/378798254.db2.gz LDQRCWZABSOUOI-XYVMCAHJSA-N 1 3 290.451 2.819 20 70 CFIDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H](CCCO)c1ccccc1 ZINC000160773846 378798259 /nfs/dbraw/zinc/79/82/59/378798259.db2.gz LDQRCWZABSOUOI-XYVMCAHJSA-N 1 3 290.451 2.819 20 70 CFIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(F)c1 ZINC000160258917 378758850 /nfs/dbraw/zinc/75/88/50/378758850.db2.gz UDPITPOKJIJRKU-AWEZNQCLSA-N 1 3 293.430 2.502 20 70 CFIDHO CC[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1CCOC1 ZINC000159628101 394365574 /nfs/dbraw/zinc/36/55/74/394365574.db2.gz WPAFVXQJDXBCMT-OCCSQVGLSA-N 1 3 268.445 2.700 20 70 CFIDHO CC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000160355450 322336995 /nfs/dbraw/zinc/33/69/95/322336995.db2.gz OFFKJUQYHHYLKH-MRXNPFEDSA-N 1 3 289.467 2.712 20 70 CFIDHO CCc1ccc([C@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC000160769158 322343142 /nfs/dbraw/zinc/34/31/42/322343142.db2.gz RQNWZNRUMJBZNJ-LSDHHAIUSA-N 1 3 294.439 2.730 20 70 CFIDHO CCc1ccc([C@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000160769158 322343145 /nfs/dbraw/zinc/34/31/45/322343145.db2.gz RQNWZNRUMJBZNJ-LSDHHAIUSA-N 1 3 294.439 2.730 20 70 CFIDHO CCCCOCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000160225679 520756807 /nfs/dbraw/zinc/75/68/07/520756807.db2.gz MDTUTWZBAHPCJO-OAGGEKHMSA-N 1 3 268.445 2.704 20 70 CFIDHO C[C@H]1C[C@@H]([NH2+]C[C@@H](C2CCCCC2)N(C)C)CCN1C ZINC000160392304 524809460 /nfs/dbraw/zinc/80/94/60/524809460.db2.gz DFZNPADUUZNZCQ-XIRDDKMYSA-N 1 3 281.488 2.569 20 70 CFIDHO C[C@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)CC[N@@H+]1C ZINC000160684089 378791578 /nfs/dbraw/zinc/79/15/78/378791578.db2.gz RSKHMDHQCPNUOX-XIRDDKMYSA-N 1 3 276.424 2.573 20 70 CFIDHO C[C@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)CC[N@H+]1C ZINC000160684089 378791586 /nfs/dbraw/zinc/79/15/86/378791586.db2.gz RSKHMDHQCPNUOX-XIRDDKMYSA-N 1 3 276.424 2.573 20 70 CFIDHO CC[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000161204642 378831509 /nfs/dbraw/zinc/83/15/09/378831509.db2.gz WBTISJNVAYBUJH-AWEZNQCLSA-N 1 3 276.424 2.531 20 70 CFIDHO CCC(CC)(C[NH3+])C(=O)Nc1cc(CN(C)C)ccc1C ZINC000161300115 378837226 /nfs/dbraw/zinc/83/72/26/378837226.db2.gz KYSGRWIIWGHPET-UHFFFAOYSA-N 1 3 291.439 2.760 20 70 CFIDHO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000161017118 523089346 /nfs/dbraw/zinc/08/93/46/523089346.db2.gz AHHYPUKIXKFRNJ-YESZJQIVSA-N 1 3 295.515 2.817 20 70 CFIDHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217697375 545508404 /nfs/dbraw/zinc/50/84/04/545508404.db2.gz BULIECZHJDYNJY-QGTPRVQTSA-N 1 3 288.435 2.843 20 70 CFIDHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217697375 545508409 /nfs/dbraw/zinc/50/84/09/545508409.db2.gz BULIECZHJDYNJY-QGTPRVQTSA-N 1 3 288.435 2.843 20 70 CFIDHO C[C@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161353436 541601006 /nfs/dbraw/zinc/60/10/06/541601006.db2.gz JZYBEMTTZPUUAC-OAHLLOKOSA-N 1 3 267.376 2.965 20 70 CFIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCO2 ZINC000161127379 378825176 /nfs/dbraw/zinc/82/51/76/378825176.db2.gz CQHIRTHDGCOYKD-CFVMTHIKSA-N 1 3 290.407 2.939 20 70 CFIDHO CN(C)[C@H]1CCC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000161118173 289380415 /nfs/dbraw/zinc/38/04/15/289380415.db2.gz QCJHHRNFJLNVEX-IHRRRGAJSA-N 1 3 268.445 2.795 20 70 CFIDHO C[NH+](C)[C@H]1CCC[C@H](N[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000161118173 289380417 /nfs/dbraw/zinc/38/04/17/289380417.db2.gz QCJHHRNFJLNVEX-IHRRRGAJSA-N 1 3 268.445 2.795 20 70 CFIDHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)C[C@H](C)S1 ZINC000161379503 322350916 /nfs/dbraw/zinc/35/09/16/322350916.db2.gz SCBXEXUINDNAGM-OKILXGFUSA-N 1 3 256.459 2.688 20 70 CFIDHO C[C@@H]1C[N@H+](CCCN2CCCCC2)C[C@H](C)S1 ZINC000161379503 322350918 /nfs/dbraw/zinc/35/09/18/322350918.db2.gz SCBXEXUINDNAGM-OKILXGFUSA-N 1 3 256.459 2.688 20 70 CFIDHO CN(CCC[NH+]1CCCCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000161434395 522748798 /nfs/dbraw/zinc/74/87/98/522748798.db2.gz WEGMYKMAKVVBJJ-OAGGEKHMSA-N 1 3 280.456 2.608 20 70 CFIDHO CC[C@H]1C[N@H+](CCCN2CCCCC2)CCS1 ZINC000161383723 523274202 /nfs/dbraw/zinc/27/42/02/523274202.db2.gz WLMWMDALUUFOHL-AWEZNQCLSA-N 1 3 256.459 2.690 20 70 CFIDHO CC[C@H]1C[N@@H+](CCCN2CCCCC2)CCS1 ZINC000161383723 523274210 /nfs/dbraw/zinc/27/42/10/523274210.db2.gz WLMWMDALUUFOHL-AWEZNQCLSA-N 1 3 256.459 2.690 20 70 CFIDHO [NH3+]CCCCNCc1ccc(Br)cc1Cl ZINC000161022038 283430811 /nfs/dbraw/zinc/43/08/11/283430811.db2.gz IYOXJPCBVQHNFA-UHFFFAOYSA-N 1 3 291.620 2.931 20 70 CFIDHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000160020930 378743086 /nfs/dbraw/zinc/74/30/86/378743086.db2.gz YFRILODACGUORX-MRXNPFEDSA-N 1 3 288.435 2.841 20 70 CFIDHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000160020930 378743093 /nfs/dbraw/zinc/74/30/93/378743093.db2.gz YFRILODACGUORX-MRXNPFEDSA-N 1 3 288.435 2.841 20 70 CFIDHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCOCC1 ZINC000160284830 378761947 /nfs/dbraw/zinc/76/19/47/378761947.db2.gz XXXHHDJGIKUNBT-CABCVRRESA-N 1 3 268.445 2.656 20 70 CFIDHO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000161077029 378819585 /nfs/dbraw/zinc/81/95/85/378819585.db2.gz NTKFXLKPODLINV-BZSNNMDCSA-N 1 3 290.451 2.707 20 70 CFIDHO c1cc2cccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)c2[nH]1 ZINC000218104325 382789377 /nfs/dbraw/zinc/78/93/77/382789377.db2.gz MWKSVXGQTJFVLH-CYBMUJFWSA-N 1 3 269.392 2.742 20 70 CFIDHO c1cc2cccc(CNC[C@H]3CC[N@@H+](C4CC4)C3)c2[nH]1 ZINC000218104325 382789378 /nfs/dbraw/zinc/78/93/78/382789378.db2.gz MWKSVXGQTJFVLH-CYBMUJFWSA-N 1 3 269.392 2.742 20 70 CFIDHO c1cc2cccc(CNC[C@H]3CC[N@H+](C4CC4)C3)c2[nH]1 ZINC000218104325 382789380 /nfs/dbraw/zinc/78/93/80/382789380.db2.gz MWKSVXGQTJFVLH-CYBMUJFWSA-N 1 3 269.392 2.742 20 70 CFIDHO C[C@@H]([NH3+])CN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000218302465 541028526 /nfs/dbraw/zinc/02/85/26/541028526.db2.gz PDWUBLPQWIGEEV-ZJUUUORDSA-N 1 3 260.303 2.573 20 70 CFIDHO c1ccc([C@@H]2CC[N@@H+](CCCN3CCCC3)C2)cc1 ZINC000161505802 378853090 /nfs/dbraw/zinc/85/30/90/378853090.db2.gz NYTVBMOXUQMPAA-QGZVFWFLSA-N 1 3 258.409 2.962 20 70 CFIDHO c1ccc([C@@H]2CC[N@H+](CCCN3CCCC3)C2)cc1 ZINC000161505802 378853095 /nfs/dbraw/zinc/85/30/95/378853095.db2.gz NYTVBMOXUQMPAA-QGZVFWFLSA-N 1 3 258.409 2.962 20 70 CFIDHO c1ccc([C@@H]2CCN(CCC[NH+]3CCCC3)C2)cc1 ZINC000161505802 378853101 /nfs/dbraw/zinc/85/31/01/378853101.db2.gz NYTVBMOXUQMPAA-QGZVFWFLSA-N 1 3 258.409 2.962 20 70 CFIDHO C[C@H]1C[C@H]([NH2+]C[C@@H](C2CCCCC2)N(C)C)CCN1C ZINC000160392062 524923509 /nfs/dbraw/zinc/92/35/09/524923509.db2.gz DFZNPADUUZNZCQ-UAGQMJEPSA-N 1 3 281.488 2.569 20 70 CFIDHO [NH3+]CCCOC1CCN(Cc2coc3ccccc23)CC1 ZINC000161118211 527181920 /nfs/dbraw/zinc/18/19/20/527181920.db2.gz QXMSVMMQGIKXJD-UHFFFAOYSA-N 1 3 288.391 2.763 20 70 CFIDHO C[C@H]1SCC[N@H+](CCCN2CCCCC2)[C@H]1C ZINC000161160455 291260336 /nfs/dbraw/zinc/26/03/36/291260336.db2.gz MUSPACNTITXQCK-UONOGXRCSA-N 1 3 256.459 2.688 20 70 CFIDHO C[C@H]1SCC[N@@H+](CCCN2CCCCC2)[C@H]1C ZINC000161160455 291260337 /nfs/dbraw/zinc/26/03/37/291260337.db2.gz MUSPACNTITXQCK-UONOGXRCSA-N 1 3 256.459 2.688 20 70 CFIDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@@H](CCCO)c1ccccc1 ZINC000160773688 378798308 /nfs/dbraw/zinc/79/83/08/378798308.db2.gz LDQRCWZABSOUOI-FZCLSBEQSA-N 1 3 290.451 2.819 20 70 CFIDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N[C@@H](CCCO)c1ccccc1 ZINC000160773688 378798313 /nfs/dbraw/zinc/79/83/13/378798313.db2.gz LDQRCWZABSOUOI-FZCLSBEQSA-N 1 3 290.451 2.819 20 70 CFIDHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCOCC1 ZINC000159640603 322325676 /nfs/dbraw/zinc/32/56/76/322325676.db2.gz CZBYXMNMGZIIBD-LBPRGKRZSA-N 1 3 268.445 2.700 20 70 CFIDHO CCSCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000160480488 521706274 /nfs/dbraw/zinc/70/62/74/521706274.db2.gz XLDLPQXVCGLXCZ-UHFFFAOYSA-N 1 3 256.459 2.547 20 70 CFIDHO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](CN)C1CC1 ZINC000159709177 523270625 /nfs/dbraw/zinc/27/06/25/523270625.db2.gz HQNWWMLJQNYZEY-CYBMUJFWSA-N 1 3 288.313 2.754 20 70 CFIDHO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](CN)C1CC1 ZINC000159709177 523270631 /nfs/dbraw/zinc/27/06/31/523270631.db2.gz HQNWWMLJQNYZEY-CYBMUJFWSA-N 1 3 288.313 2.754 20 70 CFIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(F)c1 ZINC000160259042 378759560 /nfs/dbraw/zinc/75/95/60/378759560.db2.gz UDPITPOKJIJRKU-CQSZACIVSA-N 1 3 293.430 2.502 20 70 CFIDHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000160477529 394366531 /nfs/dbraw/zinc/36/65/31/394366531.db2.gz WQFFVTFWECRWJF-RVKKMQEKSA-N 1 3 293.499 2.712 20 70 CFIDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160402080 322337505 /nfs/dbraw/zinc/33/75/05/322337505.db2.gz ZAYRNOFDPJYZBX-LMSBXDPUSA-N 1 3 295.515 2.815 20 70 CFIDHO