smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000926125032 1206195491 /nfs/dbraw/zinc/19/54/91/1206195491.db2.gz JUTJORBMHYNKKK-HWPVKAJDSA-N 2 3 343.515 2.073 10 0 EEAEHP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000926125032 1206195492 /nfs/dbraw/zinc/19/54/92/1206195492.db2.gz JUTJORBMHYNKKK-HWPVKAJDSA-N 2 3 343.515 2.073 10 0 EEAEHP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000926125032 1206195495 /nfs/dbraw/zinc/19/54/95/1206195495.db2.gz JUTJORBMHYNKKK-HWPVKAJDSA-N 2 3 343.515 2.073 10 0 EEAEHP C[NH+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000926125032 1206195496 /nfs/dbraw/zinc/19/54/96/1206195496.db2.gz JUTJORBMHYNKKK-HWPVKAJDSA-N 2 3 343.515 2.073 10 0 EEAEHP C[C@@H]1C[C@H]([NH+](C)C/C=C\C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000255007066 160396913 /nfs/dbraw/zinc/39/69/13/160396913.db2.gz YWCCHDKGYIHCRF-APJDINJDSA-N 2 3 336.568 2.372 10 0 EEAEHP C[C@@H]1C[C@H]([NH+](C)C/C=C\C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000255007066 160396915 /nfs/dbraw/zinc/39/69/15/160396915.db2.gz YWCCHDKGYIHCRF-APJDINJDSA-N 2 3 336.568 2.372 10 0 EEAEHP C[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000658142291 485571089 /nfs/dbraw/zinc/57/10/89/485571089.db2.gz VRKOGPYXOFYGMJ-UZLBHIALSA-N 2 3 331.504 2.073 10 0 EEAEHP C[C@@H](CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000357725079 153308628 /nfs/dbraw/zinc/30/86/28/153308628.db2.gz BZHHUEDGAMLQMW-KJFMYELZSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@@H](CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000357725079 153308632 /nfs/dbraw/zinc/30/86/32/153308632.db2.gz BZHHUEDGAMLQMW-KJFMYELZSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@@H](CN(C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000357725079 153308634 /nfs/dbraw/zinc/30/86/34/153308634.db2.gz BZHHUEDGAMLQMW-KJFMYELZSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@@H](CN(C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000357725079 153308639 /nfs/dbraw/zinc/30/86/39/153308639.db2.gz BZHHUEDGAMLQMW-KJFMYELZSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@H](CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357725079 153308643 /nfs/dbraw/zinc/30/86/43/153308643.db2.gz BZHHUEDGAMLQMW-KJFMYELZSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@H](CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357725079 153308645 /nfs/dbraw/zinc/30/86/45/153308645.db2.gz BZHHUEDGAMLQMW-KJFMYELZSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@H](CN(C)[C@H]1CC[NH+](C)[C@@H](C)C1)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357725079 153308650 /nfs/dbraw/zinc/30/86/50/153308650.db2.gz BZHHUEDGAMLQMW-KJFMYELZSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@H](CN(C)[C@H]1CC[NH+](C)[C@@H](C)C1)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357725079 153308654 /nfs/dbraw/zinc/30/86/54/153308654.db2.gz BZHHUEDGAMLQMW-KJFMYELZSA-N 2 3 338.584 2.452 10 0 EEAEHP CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414830913 313099112 /nfs/dbraw/zinc/09/91/12/313099112.db2.gz MMCWDZADZOVWCZ-SFHVURJKSA-N 2 3 330.520 2.308 10 0 EEAEHP CC(C)CC[NH+]1CCC(CNCc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903924917 1242518775 /nfs/dbraw/zinc/51/87/75/1242518775.db2.gz KKIDHAATTIYFQR-GOSISDBHSA-N 2 3 348.539 2.050 10 0 EEAEHP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716693178 796443410 /nfs/dbraw/zinc/44/34/10/796443410.db2.gz OHPMWTKWFWNNHL-ZCNNSNEGSA-N 2 3 331.504 2.207 10 0 EEAEHP C[C@@H]1C[C@H](NCCN2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000925808202 1206156164 /nfs/dbraw/zinc/15/61/64/1206156164.db2.gz AWRULADTOPSSIP-YLJYHZDGSA-N 2 3 330.520 2.052 10 0 EEAEHP C[C@@H]1C[C@H](NCCN2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000925808202 1206156166 /nfs/dbraw/zinc/15/61/66/1206156166.db2.gz AWRULADTOPSSIP-YLJYHZDGSA-N 2 3 330.520 2.052 10 0 EEAEHP CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415036079 467472841 /nfs/dbraw/zinc/47/28/41/467472841.db2.gz LHBSQMUXBZRHRW-IEBWSBKVSA-N 2 3 330.520 2.436 10 0 EEAEHP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000925712954 1206145584 /nfs/dbraw/zinc/14/55/84/1206145584.db2.gz RLWAUAWZMVEUHK-QRVBRYPASA-N 2 3 331.504 2.249 10 0 EEAEHP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000925712954 1206145587 /nfs/dbraw/zinc/14/55/87/1206145587.db2.gz RLWAUAWZMVEUHK-QRVBRYPASA-N 2 3 331.504 2.249 10 0 EEAEHP CN1CCC(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000339072589 539817912 /nfs/dbraw/zinc/81/79/12/539817912.db2.gz YHVNSDKFYXQYKR-MOPGFXCFSA-N 2 3 334.552 2.153 10 0 EEAEHP CN1CCC(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000339072589 539817915 /nfs/dbraw/zinc/81/79/15/539817915.db2.gz YHVNSDKFYXQYKR-MOPGFXCFSA-N 2 3 334.552 2.153 10 0 EEAEHP CN(CCC[NH2+]C1CC1)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000923328903 789373733 /nfs/dbraw/zinc/37/37/33/789373733.db2.gz YBXHJEQXQNAASD-UHFFFAOYSA-N 2 3 336.568 2.257 10 0 EEAEHP [NH3+]CCCCCCN(CCCCCC[NH3+])[C@@H]1CSCCC1=O ZINC000013799497 462903886 /nfs/dbraw/zinc/90/38/86/462903886.db2.gz HIUWIBPKSJERJX-MRXNPFEDSA-N 2 3 329.554 2.401 10 0 EEAEHP Cc1c(C[C@@H](CN)C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cnn1C ZINC000903986939 1242880932 /nfs/dbraw/zinc/88/09/32/1242880932.db2.gz UJOIHQMMOIFJSY-KKXNLOMOSA-N 2 3 347.551 2.233 10 0 EEAEHP C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000658142287 485572562 /nfs/dbraw/zinc/57/25/62/485572562.db2.gz VRKOGPYXOFYGMJ-OXJNMPFZSA-N 2 3 331.504 2.073 10 0 EEAEHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000262030715 463929572 /nfs/dbraw/zinc/92/95/72/463929572.db2.gz NZPWEEPRFSCMTB-HXUWFJFHSA-N 2 3 336.568 2.114 10 0 EEAEHP C[C@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000925808200 1206156039 /nfs/dbraw/zinc/15/60/39/1206156039.db2.gz AWRULADTOPSSIP-PXNSSMCTSA-N 2 3 330.520 2.052 10 0 EEAEHP C[C@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000925808200 1206156042 /nfs/dbraw/zinc/15/60/42/1206156042.db2.gz AWRULADTOPSSIP-PXNSSMCTSA-N 2 3 330.520 2.052 10 0 EEAEHP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000629538089 469574929 /nfs/dbraw/zinc/57/49/29/469574929.db2.gz MBNUVRWSLWDRDO-SLFFLAALSA-N 2 3 331.504 2.242 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629538089 469574932 /nfs/dbraw/zinc/57/49/32/469574932.db2.gz MBNUVRWSLWDRDO-SLFFLAALSA-N 2 3 331.504 2.242 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000629538089 469574934 /nfs/dbraw/zinc/57/49/34/469574934.db2.gz MBNUVRWSLWDRDO-SLFFLAALSA-N 2 3 331.504 2.242 10 0 EEAEHP CC1(C)C[C@@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C[C@@H]([NH3+])C1 ZINC000925712940 1206145607 /nfs/dbraw/zinc/14/56/07/1206145607.db2.gz RLWAUAWZMVEUHK-CEXWTWQISA-N 2 3 331.504 2.249 10 0 EEAEHP CC1(C)C[C@@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@@H]([NH3+])C1 ZINC000925712940 1206145609 /nfs/dbraw/zinc/14/56/09/1206145609.db2.gz RLWAUAWZMVEUHK-CEXWTWQISA-N 2 3 331.504 2.249 10 0 EEAEHP C[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000658142289 485571110 /nfs/dbraw/zinc/57/11/10/485571110.db2.gz VRKOGPYXOFYGMJ-OXQOHEQNSA-N 2 3 331.504 2.073 10 0 EEAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000310100032 466511095 /nfs/dbraw/zinc/51/10/95/466511095.db2.gz BBNNKFPTSVRVGE-IYWMVGAKSA-N 2 3 331.504 2.241 10 0 EEAEHP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CCN2)cc1 ZINC000415056278 467477220 /nfs/dbraw/zinc/47/72/20/467477220.db2.gz PRFQPDCMUZMZDS-KWJLTHHISA-N 2 3 342.531 2.286 10 0 EEAEHP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@H]1CCCNC1 ZINC000261948594 682559888 /nfs/dbraw/zinc/55/98/88/682559888.db2.gz NPBAAPAIAJSCEN-PZJWPPBQSA-N 2 3 345.531 2.363 10 0 EEAEHP C[N@@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@H]1CCCNC1 ZINC000261948594 682559892 /nfs/dbraw/zinc/55/98/92/682559892.db2.gz NPBAAPAIAJSCEN-PZJWPPBQSA-N 2 3 345.531 2.363 10 0 EEAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000310100034 466510033 /nfs/dbraw/zinc/51/00/33/466510033.db2.gz BBNNKFPTSVRVGE-LWYYNNOASA-N 2 3 331.504 2.241 10 0 EEAEHP CCCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414830909 313099075 /nfs/dbraw/zinc/09/90/75/313099075.db2.gz MMCWDZADZOVWCZ-GOSISDBHSA-N 2 3 330.520 2.308 10 0 EEAEHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665234006 471976341 /nfs/dbraw/zinc/97/63/41/471976341.db2.gz VNGUJJFRBBKVLJ-OAHLLOKOSA-N 2 3 346.519 2.390 10 0 EEAEHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509277 789695355 /nfs/dbraw/zinc/69/53/55/789695355.db2.gz ZRZCDPCHEMUYPC-GIVPXCGWSA-N 2 3 345.531 2.019 10 0 EEAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000310100029 466511009 /nfs/dbraw/zinc/51/10/09/466511009.db2.gz BBNNKFPTSVRVGE-FUMNGEBKSA-N 2 3 331.504 2.241 10 0 EEAEHP C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000124783526 490644231 /nfs/dbraw/zinc/64/42/31/490644231.db2.gz QOHXSQXQVHEFQE-GOSISDBHSA-N 2 3 336.568 2.257 10 0 EEAEHP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000629538090 469574509 /nfs/dbraw/zinc/57/45/09/469574509.db2.gz MBNUVRWSLWDRDO-VAMGGRTRSA-N 2 3 331.504 2.242 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629538090 469574514 /nfs/dbraw/zinc/57/45/14/469574514.db2.gz MBNUVRWSLWDRDO-VAMGGRTRSA-N 2 3 331.504 2.242 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000629538090 469574519 /nfs/dbraw/zinc/57/45/19/469574519.db2.gz MBNUVRWSLWDRDO-VAMGGRTRSA-N 2 3 331.504 2.242 10 0 EEAEHP CC1(C)[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925714842 1206145707 /nfs/dbraw/zinc/14/57/07/1206145707.db2.gz XMTCXXYZQCCWQR-CEXWTWQISA-N 2 3 335.536 2.244 10 0 EEAEHP C[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716679657 796405994 /nfs/dbraw/zinc/40/59/94/796405994.db2.gz FLLMARVIFPGOSC-UFYCRDLUSA-N 2 3 343.515 2.086 10 0 EEAEHP CCCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415036078 467472632 /nfs/dbraw/zinc/47/26/32/467472632.db2.gz LHBSQMUXBZRHRW-HKUYNNGSSA-N 2 3 330.520 2.436 10 0 EEAEHP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000925712947 1206145755 /nfs/dbraw/zinc/14/57/55/1206145755.db2.gz RLWAUAWZMVEUHK-GUDVDZBRSA-N 2 3 331.504 2.249 10 0 EEAEHP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000925712947 1206145756 /nfs/dbraw/zinc/14/57/56/1206145756.db2.gz RLWAUAWZMVEUHK-GUDVDZBRSA-N 2 3 331.504 2.249 10 0 EEAEHP CC(CCN1CCC([NH+](C)C)CC1)CCN1CCC([NH+](C)C)CC1 ZINC000411166418 528705701 /nfs/dbraw/zinc/70/57/01/528705701.db2.gz SNTKJXCPIVREGP-UHFFFAOYSA-N 2 3 338.584 2.455 10 0 EEAEHP CC(CCN1CCC([NH+](C)C)CC1)CC[NH+]1CCC(N(C)C)CC1 ZINC000411166418 528705702 /nfs/dbraw/zinc/70/57/02/528705702.db2.gz SNTKJXCPIVREGP-UHFFFAOYSA-N 2 3 338.584 2.455 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000629538456 469573933 /nfs/dbraw/zinc/57/39/33/469573933.db2.gz MZUGUJPWHPCWEJ-ZCNNSNEGSA-N 2 3 331.504 2.385 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000629538456 469573935 /nfs/dbraw/zinc/57/39/35/469573935.db2.gz MZUGUJPWHPCWEJ-ZCNNSNEGSA-N 2 3 331.504 2.385 10 0 EEAEHP CN1CCC(CN[C@H]2CC[NH2+]C23CCCC3)([NH+]2CCCCC2)CC1 ZINC000925513793 1206121631 /nfs/dbraw/zinc/12/16/31/1206121631.db2.gz LWIPURYBTQTVRO-SFHVURJKSA-N 2 3 334.552 2.201 10 0 EEAEHP CC(C)CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000903938062 1242588206 /nfs/dbraw/zinc/58/82/06/1242588206.db2.gz YXCFFWVPPVTDCZ-GOSISDBHSA-N 2 3 348.539 2.002 10 0 EEAEHP CN1CCC(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000166719133 539544230 /nfs/dbraw/zinc/54/42/30/539544230.db2.gz YHVNSDKFYXQYKR-RTBURBONSA-N 2 3 334.552 2.153 10 0 EEAEHP CN1CCC(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000166719133 539544234 /nfs/dbraw/zinc/54/42/34/539544234.db2.gz YHVNSDKFYXQYKR-RTBURBONSA-N 2 3 334.552 2.153 10 0 EEAEHP C[NH+](C)CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716693177 796443131 /nfs/dbraw/zinc/44/31/31/796443131.db2.gz OHPMWTKWFWNNHL-UFYCRDLUSA-N 2 3 331.504 2.207 10 0 EEAEHP [NH3+]C1CCN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000925811402 1206156431 /nfs/dbraw/zinc/15/64/31/1206156431.db2.gz ILSABMIULSDJGP-WKCHPHFGSA-N 2 3 342.531 2.195 10 0 EEAEHP [NH3+]C1CCN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925811402 1206156434 /nfs/dbraw/zinc/15/64/34/1206156434.db2.gz ILSABMIULSDJGP-WKCHPHFGSA-N 2 3 342.531 2.195 10 0 EEAEHP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000629538069 469574447 /nfs/dbraw/zinc/57/44/47/469574447.db2.gz MBNUVRWSLWDRDO-HSALFYBXSA-N 2 3 331.504 2.242 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629538069 469574452 /nfs/dbraw/zinc/57/44/52/469574452.db2.gz MBNUVRWSLWDRDO-HSALFYBXSA-N 2 3 331.504 2.242 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000629538069 469574460 /nfs/dbraw/zinc/57/44/60/469574460.db2.gz MBNUVRWSLWDRDO-HSALFYBXSA-N 2 3 331.504 2.242 10 0 EEAEHP CCCN1CCC([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000124610635 490643162 /nfs/dbraw/zinc/64/31/62/490643162.db2.gz ABPGRGZJJQZOIP-UHFFFAOYSA-N 2 3 336.568 2.401 10 0 EEAEHP Cc1c(C[C@@H](CN)C[N@H+](C)CCCC[NH+]2CCCCC2)cnn1C ZINC000903947781 1242661581 /nfs/dbraw/zinc/66/15/81/1242661581.db2.gz HQJHQJHTYZJNOL-SFHVURJKSA-N 2 3 335.540 2.044 10 0 EEAEHP Cc1c(C[C@@H](CN)C[N@@H+](C)CCCC[NH+]2CCCCC2)cnn1C ZINC000903947781 1242661592 /nfs/dbraw/zinc/66/15/92/1242661592.db2.gz HQJHQJHTYZJNOL-SFHVURJKSA-N 2 3 335.540 2.044 10 0 EEAEHP C[C@@H]1C[C@H]([NH+](C)C/C=C\C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000255007067 160396597 /nfs/dbraw/zinc/39/65/97/160396597.db2.gz YWCCHDKGYIHCRF-YNZZLBOPSA-N 2 3 336.568 2.372 10 0 EEAEHP C[C@@H]1C[C@H]([NH+](C)C/C=C\C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000255007067 160396599 /nfs/dbraw/zinc/39/65/99/160396599.db2.gz YWCCHDKGYIHCRF-YNZZLBOPSA-N 2 3 336.568 2.372 10 0 EEAEHP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\C[NH+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000255007067 160396600 /nfs/dbraw/zinc/39/66/00/160396600.db2.gz YWCCHDKGYIHCRF-YNZZLBOPSA-N 2 3 336.568 2.372 10 0 EEAEHP C[C@@H]1C[C@H]([N@H+](C)C/C=C\C[NH+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000255007067 160396602 /nfs/dbraw/zinc/39/66/02/160396602.db2.gz YWCCHDKGYIHCRF-YNZZLBOPSA-N 2 3 336.568 2.372 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629538455 469574694 /nfs/dbraw/zinc/57/46/94/469574694.db2.gz MZUGUJPWHPCWEJ-XUVXKRRUSA-N 2 3 331.504 2.385 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629538455 469574696 /nfs/dbraw/zinc/57/46/96/469574696.db2.gz MZUGUJPWHPCWEJ-XUVXKRRUSA-N 2 3 331.504 2.385 10 0 EEAEHP CN1CCC(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000166719254 539544523 /nfs/dbraw/zinc/54/45/23/539544523.db2.gz YHVNSDKFYXQYKR-RBUKOAKNSA-N 2 3 334.552 2.153 10 0 EEAEHP CN1CCC(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000166719254 539544527 /nfs/dbraw/zinc/54/45/27/539544527.db2.gz YHVNSDKFYXQYKR-RBUKOAKNSA-N 2 3 334.552 2.153 10 0 EEAEHP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262030713 463929706 /nfs/dbraw/zinc/92/97/06/463929706.db2.gz NZPWEEPRFSCMTB-FQEVSTJZSA-N 2 3 336.568 2.114 10 0 EEAEHP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716679664 796406036 /nfs/dbraw/zinc/40/60/36/796406036.db2.gz FLLMARVIFPGOSC-ZCNNSNEGSA-N 2 3 343.515 2.086 10 0 EEAEHP CC(C)N1CCN(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000191446760 152255621 /nfs/dbraw/zinc/25/56/21/152255621.db2.gz QAFPCIBEHRATCS-UHFFFAOYSA-N 2 3 336.568 2.210 10 0 EEAEHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665234005 471975808 /nfs/dbraw/zinc/97/58/08/471975808.db2.gz VNGUJJFRBBKVLJ-HNNXBMFYSA-N 2 3 346.519 2.390 10 0 EEAEHP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CCN2)cc1 ZINC000415056279 467477698 /nfs/dbraw/zinc/47/76/98/467477698.db2.gz PRFQPDCMUZMZDS-MAHYXTOZSA-N 2 3 342.531 2.286 10 0 EEAEHP C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000397596917 485674254 /nfs/dbraw/zinc/67/42/54/485674254.db2.gz QJJRGEKKLFPSOQ-SFHVURJKSA-N 2 3 345.531 2.333 10 0 EEAEHP C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000124783257 490644245 /nfs/dbraw/zinc/64/42/45/490644245.db2.gz QOHXSQXQVHEFQE-SFHVURJKSA-N 2 3 336.568 2.257 10 0 EEAEHP CC(C)C[C@H](N)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000414740292 313073978 /nfs/dbraw/zinc/07/39/78/313073978.db2.gz JVDSRGXHNWCHCB-IBGZPJMESA-N 2 3 338.584 2.488 10 0 EEAEHP CC(C)C[C@H](N)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000414740292 313073983 /nfs/dbraw/zinc/07/39/83/313073983.db2.gz JVDSRGXHNWCHCB-IBGZPJMESA-N 2 3 338.584 2.488 10 0 EEAEHP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000925634958 1206138162 /nfs/dbraw/zinc/13/81/62/1206138162.db2.gz NMPGZEHNICYODH-QRVBRYPASA-N 2 3 331.504 2.249 10 0 EEAEHP CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000925634958 1206138163 /nfs/dbraw/zinc/13/81/63/1206138163.db2.gz NMPGZEHNICYODH-QRVBRYPASA-N 2 3 331.504 2.249 10 0 EEAEHP CCCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415036080 467472080 /nfs/dbraw/zinc/47/20/80/467472080.db2.gz LHBSQMUXBZRHRW-MJGOQNOKSA-N 2 3 330.520 2.436 10 0 EEAEHP CC1(C)C[C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925634960 1206138244 /nfs/dbraw/zinc/13/82/44/1206138244.db2.gz NMPGZEHNICYODH-QYZOEREBSA-N 2 3 331.504 2.249 10 0 EEAEHP CC1(C)C[C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925634960 1206138245 /nfs/dbraw/zinc/13/82/45/1206138245.db2.gz NMPGZEHNICYODH-QYZOEREBSA-N 2 3 331.504 2.249 10 0 EEAEHP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000629529864 469572600 /nfs/dbraw/zinc/57/26/00/469572600.db2.gz OSVRALAQJBKITF-HSALFYBXSA-N 2 3 331.504 2.113 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629529864 469572606 /nfs/dbraw/zinc/57/26/06/469572606.db2.gz OSVRALAQJBKITF-HSALFYBXSA-N 2 3 331.504 2.113 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000629529864 469572610 /nfs/dbraw/zinc/57/26/10/469572610.db2.gz OSVRALAQJBKITF-HSALFYBXSA-N 2 3 331.504 2.113 10 0 EEAEHP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662261703 472048084 /nfs/dbraw/zinc/04/80/84/472048084.db2.gz MVTGPSCTDSSZMU-FQEVSTJZSA-N 2 3 343.515 2.351 10 0 EEAEHP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662261703 472048087 /nfs/dbraw/zinc/04/80/87/472048087.db2.gz MVTGPSCTDSSZMU-FQEVSTJZSA-N 2 3 343.515 2.351 10 0 EEAEHP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@@H]1CCCNC1 ZINC000261948589 682559976 /nfs/dbraw/zinc/55/99/76/682559976.db2.gz NPBAAPAIAJSCEN-CTNGQTDRSA-N 2 3 345.531 2.363 10 0 EEAEHP C[N@@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@@H]1CCCNC1 ZINC000261948589 682559978 /nfs/dbraw/zinc/55/99/78/682559978.db2.gz NPBAAPAIAJSCEN-CTNGQTDRSA-N 2 3 345.531 2.363 10 0 EEAEHP N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509278 789695228 /nfs/dbraw/zinc/69/52/28/789695228.db2.gz ZRZCDPCHEMUYPC-JBACZVJFSA-N 2 3 345.531 2.019 10 0 EEAEHP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924970841 1206056684 /nfs/dbraw/zinc/05/66/84/1206056684.db2.gz QVPAWDDXKSEGPO-PMSBKCLSSA-N 2 3 343.515 2.073 10 0 EEAEHP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924970841 1206056686 /nfs/dbraw/zinc/05/66/86/1206056686.db2.gz QVPAWDDXKSEGPO-PMSBKCLSSA-N 2 3 343.515 2.073 10 0 EEAEHP c1ccc([C@H]2C[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CCN2)cc1 ZINC000415056276 467477301 /nfs/dbraw/zinc/47/73/01/467477301.db2.gz PRFQPDCMUZMZDS-GOLJUSPKSA-N 2 3 342.531 2.286 10 0 EEAEHP CN(c1ccccc1C[NH2+]CCC1(C[NH3+])CC1)C1CCN(C)CC1 ZINC000650713367 470948995 /nfs/dbraw/zinc/94/89/95/470948995.db2.gz QLXWWOHJGXUCOD-UHFFFAOYSA-N 2 3 330.520 2.436 10 0 EEAEHP COc1ccc2c(c1)nccc2N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012101 1198454178 /nfs/dbraw/zinc/45/41/78/1198454178.db2.gz QEDLXDDUJPYTKX-HZPDHXFCSA-N 2 3 342.487 2.419 10 0 EEAEHP CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415036081 467472096 /nfs/dbraw/zinc/47/20/96/467472096.db2.gz LHBSQMUXBZRHRW-PKOBYXMFSA-N 2 3 330.520 2.436 10 0 EEAEHP COCC[N@H+](C[C@@H](CN)c1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000866672726 1201576578 /nfs/dbraw/zinc/57/65/78/1201576578.db2.gz MKZNCCJXUAQJFU-LJQANCHMSA-N 2 3 349.519 2.028 10 0 EEAEHP COCC[N@@H+](C[C@@H](CN)c1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000866672726 1201576580 /nfs/dbraw/zinc/57/65/80/1201576580.db2.gz MKZNCCJXUAQJFU-LJQANCHMSA-N 2 3 349.519 2.028 10 0 EEAEHP C[C@@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000925808201 1206155930 /nfs/dbraw/zinc/15/59/30/1206155930.db2.gz AWRULADTOPSSIP-XLIONFOSSA-N 2 3 330.520 2.052 10 0 EEAEHP C[C@@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000925808201 1206155932 /nfs/dbraw/zinc/15/59/32/1206155932.db2.gz AWRULADTOPSSIP-XLIONFOSSA-N 2 3 330.520 2.052 10 0 EEAEHP COC[C@H](CCC[NH3+])[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000422822041 240244820 /nfs/dbraw/zinc/24/48/20/240244820.db2.gz ADSZWTGRDPQLPX-INIZCTEOSA-N 2 3 325.522 2.304 10 0 EEAEHP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000629529866 469573224 /nfs/dbraw/zinc/57/32/24/469573224.db2.gz OSVRALAQJBKITF-VAMGGRTRSA-N 2 3 331.504 2.113 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629529866 469573226 /nfs/dbraw/zinc/57/32/26/469573226.db2.gz OSVRALAQJBKITF-VAMGGRTRSA-N 2 3 331.504 2.113 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000629529866 469573228 /nfs/dbraw/zinc/57/32/28/469573228.db2.gz OSVRALAQJBKITF-VAMGGRTRSA-N 2 3 331.504 2.113 10 0 EEAEHP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@@H]1CCCNC1 ZINC000261948596 682559954 /nfs/dbraw/zinc/55/99/54/682559954.db2.gz NPBAAPAIAJSCEN-TZIWHRDSSA-N 2 3 345.531 2.363 10 0 EEAEHP C[N@@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@@H]1CCCNC1 ZINC000261948596 682559957 /nfs/dbraw/zinc/55/99/57/682559957.db2.gz NPBAAPAIAJSCEN-TZIWHRDSSA-N 2 3 345.531 2.363 10 0 EEAEHP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCOCC[NH+](C)C)CC1 ZINC000453219302 467468365 /nfs/dbraw/zinc/46/83/65/467468365.db2.gz LXNYACKRZPDBNZ-SFHVURJKSA-N 2 3 333.520 2.250 10 0 EEAEHP C[C@H]1C[C@H](NCCN2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000925808199 1206156118 /nfs/dbraw/zinc/15/61/18/1206156118.db2.gz AWRULADTOPSSIP-FXAWDEMLSA-N 2 3 330.520 2.052 10 0 EEAEHP C[C@H]1C[C@H](NCCN2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000925808199 1206156119 /nfs/dbraw/zinc/15/61/19/1206156119.db2.gz AWRULADTOPSSIP-FXAWDEMLSA-N 2 3 330.520 2.052 10 0 EEAEHP C[C@@H](CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000357725082 153308080 /nfs/dbraw/zinc/30/80/80/153308080.db2.gz BZHHUEDGAMLQMW-USYVTKNRSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@@H](CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000357725082 153308084 /nfs/dbraw/zinc/30/80/84/153308084.db2.gz BZHHUEDGAMLQMW-USYVTKNRSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@@H](CN(C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000357725082 153308088 /nfs/dbraw/zinc/30/80/88/153308088.db2.gz BZHHUEDGAMLQMW-USYVTKNRSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@@H](CN(C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000357725082 153308091 /nfs/dbraw/zinc/30/80/91/153308091.db2.gz BZHHUEDGAMLQMW-USYVTKNRSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@H](CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357725082 153308096 /nfs/dbraw/zinc/30/80/96/153308096.db2.gz BZHHUEDGAMLQMW-USYVTKNRSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@H](CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357725082 153308099 /nfs/dbraw/zinc/30/80/99/153308099.db2.gz BZHHUEDGAMLQMW-USYVTKNRSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@H](CN(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357725082 153308104 /nfs/dbraw/zinc/30/81/04/153308104.db2.gz BZHHUEDGAMLQMW-USYVTKNRSA-N 2 3 338.584 2.452 10 0 EEAEHP C[C@H](CN(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357725082 153308108 /nfs/dbraw/zinc/30/81/08/153308108.db2.gz BZHHUEDGAMLQMW-USYVTKNRSA-N 2 3 338.584 2.452 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629538454 469574028 /nfs/dbraw/zinc/57/40/28/469574028.db2.gz MZUGUJPWHPCWEJ-VAMGGRTRSA-N 2 3 331.504 2.385 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629538454 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2.028 10 0 EEAEHP COCC[N@@H+](C[C@H](CN)c1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000866672724 1201576513 /nfs/dbraw/zinc/57/65/13/1201576513.db2.gz MKZNCCJXUAQJFU-IBGZPJMESA-N 2 3 349.519 2.028 10 0 EEAEHP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1)CC1CC1 ZINC000662278886 472053410 /nfs/dbraw/zinc/05/34/10/472053410.db2.gz NIHUSCRFDSNHFC-IBGZPJMESA-N 2 3 335.536 2.341 10 0 EEAEHP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1)CC1CC1 ZINC000662278886 472053413 /nfs/dbraw/zinc/05/34/13/472053413.db2.gz NIHUSCRFDSNHFC-IBGZPJMESA-N 2 3 335.536 2.341 10 0 EEAEHP CC1(C)C[C@@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C[C@@H]([NH3+])C1 ZINC000925712962 1206145682 /nfs/dbraw/zinc/14/56/82/1206145682.db2.gz RLWAUAWZMVEUHK-QYZOEREBSA-N 2 3 331.504 2.249 10 0 EEAEHP CC1(C)C[C@@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[C@@H]([NH3+])C1 ZINC000925712962 1206145683 /nfs/dbraw/zinc/14/56/83/1206145683.db2.gz RLWAUAWZMVEUHK-QYZOEREBSA-N 2 3 331.504 2.249 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629530896 469573036 /nfs/dbraw/zinc/57/30/36/469573036.db2.gz UNNBIYNSKLRYAS-VAMGGRTRSA-N 2 3 331.504 2.255 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629530896 469573039 /nfs/dbraw/zinc/57/30/39/469573039.db2.gz UNNBIYNSKLRYAS-VAMGGRTRSA-N 2 3 331.504 2.255 10 0 EEAEHP Cc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000656211775 471635270 /nfs/dbraw/zinc/63/52/70/471635270.db2.gz KKVZLEPKAKIOPA-HMQPTBHHSA-N 2 3 346.523 2.289 10 0 EEAEHP C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000397596914 485673682 /nfs/dbraw/zinc/67/36/82/485673682.db2.gz QJJRGEKKLFPSOQ-GOSISDBHSA-N 2 3 345.531 2.333 10 0 EEAEHP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000423097906 240363200 /nfs/dbraw/zinc/36/32/00/240363200.db2.gz BRAXGQDUBOUCJF-KRWDZBQOSA-N 2 3 335.492 2.003 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629530897 469572975 /nfs/dbraw/zinc/57/29/75/469572975.db2.gz UNNBIYNSKLRYAS-XUVXKRRUSA-N 2 3 331.504 2.255 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629530897 469572979 /nfs/dbraw/zinc/57/29/79/469572979.db2.gz UNNBIYNSKLRYAS-XUVXKRRUSA-N 2 3 331.504 2.255 10 0 EEAEHP CC(C)C[C@@H](N)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000414740295 313073912 /nfs/dbraw/zinc/07/39/12/313073912.db2.gz JVDSRGXHNWCHCB-LJQANCHMSA-N 2 3 338.584 2.488 10 0 EEAEHP CC(C)C[C@@H](N)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000414740295 313073913 /nfs/dbraw/zinc/07/39/13/313073913.db2.gz JVDSRGXHNWCHCB-LJQANCHMSA-N 2 3 338.584 2.488 10 0 EEAEHP C[C@@H]1C[C@H]([NH+](C)C/C=C/C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000123077524 463315691 /nfs/dbraw/zinc/31/56/91/463315691.db2.gz YWCCHDKGYIHCRF-CCUKAZOQSA-N 2 3 336.568 2.372 10 0 EEAEHP C[C@@H]1C[C@H]([NH+](C)C/C=C/C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000123077524 463315698 /nfs/dbraw/zinc/31/56/98/463315698.db2.gz YWCCHDKGYIHCRF-CCUKAZOQSA-N 2 3 336.568 2.372 10 0 EEAEHP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000423097908 536597078 /nfs/dbraw/zinc/59/70/78/536597078.db2.gz BRAXGQDUBOUCJF-QGZVFWFLSA-N 2 3 335.492 2.003 10 0 EEAEHP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CCN2)cc1 ZINC000415056277 467477328 /nfs/dbraw/zinc/47/73/28/467477328.db2.gz PRFQPDCMUZMZDS-KOQKOIQBSA-N 2 3 342.531 2.286 10 0 EEAEHP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925219091 1206084484 /nfs/dbraw/zinc/08/44/84/1206084484.db2.gz BOLDWNRLWHHLCP-PMSBKCLSSA-N 2 3 343.515 2.073 10 0 EEAEHP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925219091 1206084486 /nfs/dbraw/zinc/08/44/86/1206084486.db2.gz BOLDWNRLWHHLCP-PMSBKCLSSA-N 2 3 343.515 2.073 10 0 EEAEHP Cc1c(C[C@H](CN)C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cnn1C ZINC000903924910 1242518636 /nfs/dbraw/zinc/51/86/36/1242518636.db2.gz JZXMYHRQPSCSSP-LJQANCHMSA-N 2 3 349.567 2.194 10 0 EEAEHP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@H]1CCCNC1 ZINC000261948592 682559748 /nfs/dbraw/zinc/55/97/48/682559748.db2.gz NPBAAPAIAJSCEN-FPOVZHCZSA-N 2 3 345.531 2.363 10 0 EEAEHP C[N@@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@H]1CCCNC1 ZINC000261948592 682559751 /nfs/dbraw/zinc/55/97/51/682559751.db2.gz NPBAAPAIAJSCEN-FPOVZHCZSA-N 2 3 345.531 2.363 10 0 EEAEHP Cc1c(C[C@H](CN)C[N@H+](C)CCCC[NH+]2CCCCC2)cnn1C ZINC000903947780 1242660750 /nfs/dbraw/zinc/66/07/50/1242660750.db2.gz HQJHQJHTYZJNOL-GOSISDBHSA-N 2 3 335.540 2.044 10 0 EEAEHP Cc1c(C[C@H](CN)C[N@@H+](C)CCCC[NH+]2CCCCC2)cnn1C ZINC000903947780 1242660758 /nfs/dbraw/zinc/66/07/58/1242660758.db2.gz HQJHQJHTYZJNOL-GOSISDBHSA-N 2 3 335.540 2.044 10 0 EEAEHP c1cc2c(cc1CN1CCC(OCC[NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000580455856 324068065 /nfs/dbraw/zinc/06/80/65/324068065.db2.gz SKJVLEMBPVPJKT-UHFFFAOYSA-N 2 3 343.515 2.409 10 0 EEAEHP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000629538093 469573972 /nfs/dbraw/zinc/57/39/72/469573972.db2.gz MBNUVRWSLWDRDO-XUVXKRRUSA-N 2 3 331.504 2.242 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629538093 469573975 /nfs/dbraw/zinc/57/39/75/469573975.db2.gz MBNUVRWSLWDRDO-XUVXKRRUSA-N 2 3 331.504 2.242 10 0 EEAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000629538093 469573981 /nfs/dbraw/zinc/57/39/81/469573981.db2.gz MBNUVRWSLWDRDO-XUVXKRRUSA-N 2 3 331.504 2.242 10 0 EEAEHP CC(C)CC[NH+]1CCC(CNCc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903924918 1242518400 /nfs/dbraw/zinc/51/84/00/1242518400.db2.gz KKIDHAATTIYFQR-SFHVURJKSA-N 2 3 348.539 2.050 10 0 EEAEHP [NH3+]CCCCCCN(CCCCCC[NH3+])[C@H]1CSCCC1=O ZINC000013799499 462903951 /nfs/dbraw/zinc/90/39/51/462903951.db2.gz HIUWIBPKSJERJX-INIZCTEOSA-N 2 3 329.554 2.401 10 0 EEAEHP CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953865 471602121 /nfs/dbraw/zinc/60/21/21/471602121.db2.gz JQTBJXIQROSOQH-HXUWFJFHSA-N 2 3 342.531 2.450 10 0 EEAEHP CN1CCC(CN[C@@H]2CC[NH2+]C23CCCC3)([NH+]2CCCCC2)CC1 ZINC000925513791 1206121520 /nfs/dbraw/zinc/12/15/20/1206121520.db2.gz LWIPURYBTQTVRO-GOSISDBHSA-N 2 3 334.552 2.201 10 0 EEAEHP c1ccc(CN2CCC([NH2+]CCCCC[NH+]3CCNCC3)CC2)cc1 ZINC000925849230 1206160470 /nfs/dbraw/zinc/16/04/70/1206160470.db2.gz NFBKQFZXEIHWID-UHFFFAOYSA-N 2 3 344.547 2.316 10 0 EEAEHP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000629529865 469572743 /nfs/dbraw/zinc/57/27/43/469572743.db2.gz OSVRALAQJBKITF-SLFFLAALSA-N 2 3 331.504 2.113 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629529865 469572746 /nfs/dbraw/zinc/57/27/46/469572746.db2.gz OSVRALAQJBKITF-SLFFLAALSA-N 2 3 331.504 2.113 10 0 EEAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000629529865 469572752 /nfs/dbraw/zinc/57/27/52/469572752.db2.gz OSVRALAQJBKITF-SLFFLAALSA-N 2 3 331.504 2.113 10 0 EEAEHP CC(C)CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000903938063 1242589220 /nfs/dbraw/zinc/58/92/20/1242589220.db2.gz YXCFFWVPPVTDCZ-SFHVURJKSA-N 2 3 348.539 2.002 10 0 EEAEHP C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000658142286 485571959 /nfs/dbraw/zinc/57/19/59/485571959.db2.gz VRKOGPYXOFYGMJ-JXFKEZNVSA-N 2 3 331.504 2.073 10 0 EEAEHP Cc1c(C[C@H](CN)C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cnn1C ZINC000903986940 1242882437 /nfs/dbraw/zinc/88/24/37/1242882437.db2.gz UJOIHQMMOIFJSY-QHGAOEGBSA-N 2 3 347.551 2.233 10 0 EEAEHP