smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H](CCC[NH3+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422884651 476826746 /nfs/dbraw/zinc/82/67/46/476826746.db2.gz SJEBYRSTCOBCCA-XLIONFOSSA-N 2 3 333.520 2.762 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422884651 476826750 /nfs/dbraw/zinc/82/67/50/476826750.db2.gz SJEBYRSTCOBCCA-XLIONFOSSA-N 2 3 333.520 2.762 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422962268 476868274 /nfs/dbraw/zinc/86/82/74/476868274.db2.gz CKBRXKRISIUBCN-HXUWFJFHSA-N 2 3 333.520 2.762 10 0 EFAEHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786997 546924131 /nfs/dbraw/zinc/92/41/31/546924131.db2.gz ZBXHMMXZOMQCKW-FQEVSTJZSA-N 2 3 345.531 2.839 10 0 EFAEHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786997 546924135 /nfs/dbraw/zinc/92/41/35/546924135.db2.gz ZBXHMMXZOMQCKW-FQEVSTJZSA-N 2 3 345.531 2.839 10 0 EFAEHP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925713368 1296869953 /nfs/dbraw/zinc/86/99/53/1296869953.db2.gz VHWSGCHESCYRQZ-HSALFYBXSA-N 2 3 342.531 2.660 10 0 EFAEHP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567731272 1416262022 /nfs/dbraw/zinc/26/20/22/1416262022.db2.gz LBPVIRCTTPGEHI-GOSISDBHSA-N 2 3 335.536 2.833 10 0 EFAEHP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567731272 1416262027 /nfs/dbraw/zinc/26/20/27/1416262027.db2.gz LBPVIRCTTPGEHI-GOSISDBHSA-N 2 3 335.536 2.833 10 0 EFAEHP CCN1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000069160333 1101684567 /nfs/dbraw/zinc/68/45/67/1101684567.db2.gz ALRJKWLGZWENPG-FQEVSTJZSA-N 2 3 345.531 2.983 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422884652 476827152 /nfs/dbraw/zinc/82/71/52/476827152.db2.gz SJEBYRSTCOBCCA-YLJYHZDGSA-N 2 3 333.520 2.762 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422884652 476827155 /nfs/dbraw/zinc/82/71/55/476827155.db2.gz SJEBYRSTCOBCCA-YLJYHZDGSA-N 2 3 333.520 2.762 10 0 EFAEHP CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCN2CC[NH2+]CC2)CC1 ZINC000423175736 476954006 /nfs/dbraw/zinc/95/40/06/476954006.db2.gz AYWPDWFCMZSVDC-UHFFFAOYSA-N 2 3 338.584 2.551 10 0 EFAEHP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)[C@H]1CC[NH2+]C1 ZINC000665277162 481764390 /nfs/dbraw/zinc/76/43/90/481764390.db2.gz VLNOBSPJRNTROH-IHPCNDPISA-N 2 3 327.516 2.876 10 0 EFAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000925713367 1296871639 /nfs/dbraw/zinc/87/16/39/1296871639.db2.gz VHWSGCHESCYRQZ-AABGKKOBSA-N 2 3 342.531 2.660 10 0 EFAEHP c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)C[C@@H]3C2)cc1 ZINC000705897540 1102029194 /nfs/dbraw/zinc/02/91/94/1102029194.db2.gz VXNQBQGARVSAED-ZRZAMGCNSA-N 2 3 347.506 2.896 10 0 EFAEHP c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)C[C@@H]3C2)cc1 ZINC000705897540 1102029205 /nfs/dbraw/zinc/02/92/05/1102029205.db2.gz VXNQBQGARVSAED-ZRZAMGCNSA-N 2 3 347.506 2.896 10 0 EFAEHP c1ccc(CN2C[C@H]3C[NH+](Cc4ccc5c(c4)C[NH2+]CC5)C[C@@H]3C2)cc1 ZINC000705969193 1102136634 /nfs/dbraw/zinc/13/66/34/1102136634.db2.gz VXNQBQGARVSAED-GOTSBHOMSA-N 2 3 347.506 2.896 10 0 EFAEHP CC[NH+]1CCC(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422778426 279257279 /nfs/dbraw/zinc/25/72/79/279257279.db2.gz DPGCXOQRLHCUOA-TZIWHRDSSA-N 2 3 343.515 2.954 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000415009161 312076831 /nfs/dbraw/zinc/07/68/31/312076831.db2.gz DSHKIHBMIJMZRB-SFHVURJKSA-N 2 3 332.536 2.826 10 0 EFAEHP CCC[NH+]1CCC(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422745722 476756703 /nfs/dbraw/zinc/75/67/03/476756703.db2.gz VQKBBWLUIZUXKA-PZJWPPBQSA-N 2 3 343.515 2.954 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422884650 476826850 /nfs/dbraw/zinc/82/68/50/476826850.db2.gz SJEBYRSTCOBCCA-PXNSSMCTSA-N 2 3 333.520 2.762 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422884650 476826853 /nfs/dbraw/zinc/82/68/53/476826853.db2.gz SJEBYRSTCOBCCA-PXNSSMCTSA-N 2 3 333.520 2.762 10 0 EFAEHP CN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1(C)C ZINC000623487960 480307076 /nfs/dbraw/zinc/30/70/76/480307076.db2.gz BITHMXRVPDHMTH-VQTJNVASSA-N 2 3 345.531 2.606 10 0 EFAEHP CN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1(C)C ZINC000623487960 480307079 /nfs/dbraw/zinc/30/70/79/480307079.db2.gz BITHMXRVPDHMTH-VQTJNVASSA-N 2 3 345.531 2.606 10 0 EFAEHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635005616 480682964 /nfs/dbraw/zinc/68/29/64/480682964.db2.gz VTMGBTFCAHPQNF-IFMALSPDSA-N 2 3 349.478 2.678 10 0 EFAEHP C[NH+](C)CCOc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000678139174 548851696 /nfs/dbraw/zinc/85/16/96/548851696.db2.gz NLELOQPDBLWCLG-UHFFFAOYSA-N 2 3 345.531 2.935 10 0 EFAEHP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000903444068 1312690598 /nfs/dbraw/zinc/69/05/98/1312690598.db2.gz OWPJHCSQDUTDOW-GIVPXCGWSA-N 2 3 327.516 2.830 10 0 EFAEHP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000903444068 1312690601 /nfs/dbraw/zinc/69/06/01/1312690601.db2.gz OWPJHCSQDUTDOW-GIVPXCGWSA-N 2 3 327.516 2.830 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000088703217 472381233 /nfs/dbraw/zinc/38/12/33/472381233.db2.gz GDKCKKXZABWMMO-UHFFFAOYSA-N 2 3 344.547 2.650 10 0 EFAEHP CCC[NH+]1CCC(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422745719 476756304 /nfs/dbraw/zinc/75/63/04/476756304.db2.gz VQKBBWLUIZUXKA-CTNGQTDRSA-N 2 3 343.515 2.954 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422875637 476823690 /nfs/dbraw/zinc/82/36/90/476823690.db2.gz FKVAVMFAXMMIGT-FXAWDEMLSA-N 2 3 333.520 2.905 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422875637 476823695 /nfs/dbraw/zinc/82/36/95/476823695.db2.gz FKVAVMFAXMMIGT-FXAWDEMLSA-N 2 3 333.520 2.905 10 0 EFAEHP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)[C@H]1CC[NH2+]C1 ZINC000665277164 481764776 /nfs/dbraw/zinc/76/47/76/481764776.db2.gz VLNOBSPJRNTROH-YSIASYRMSA-N 2 3 327.516 2.876 10 0 EFAEHP Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903920302 1313418716 /nfs/dbraw/zinc/41/87/16/1313418716.db2.gz SEMXUJNMUZGIJE-JSVWBZIQSA-N 2 3 331.479 2.639 10 0 EFAEHP CCCCN1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000067505465 1102558221 /nfs/dbraw/zinc/55/82/21/1102558221.db2.gz FXJGKRBVAGWAKS-UHFFFAOYSA-N 2 3 333.520 2.981 10 0 EFAEHP CC[NH+]1CCC(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422778423 279257301 /nfs/dbraw/zinc/25/73/01/279257301.db2.gz DPGCXOQRLHCUOA-PZJWPPBQSA-N 2 3 343.515 2.954 10 0 EFAEHP CN(c1ccccc1C[NH2+]CCCC[NH+](C)C)C1CCN(C)CC1 ZINC000268376481 474947890 /nfs/dbraw/zinc/94/78/90/474947890.db2.gz SYLVJEZLXSHLQY-UHFFFAOYSA-N 2 3 332.536 2.648 10 0 EFAEHP C[C@@]1(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]C1 ZINC000261925812 475116295 /nfs/dbraw/zinc/11/62/95/475116295.db2.gz CDVAJFUGNMYLHW-HXUWFJFHSA-N 2 3 327.516 2.974 10 0 EFAEHP C[C@@]1(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]C1 ZINC000261925812 475116305 /nfs/dbraw/zinc/11/63/05/475116305.db2.gz CDVAJFUGNMYLHW-HXUWFJFHSA-N 2 3 327.516 2.974 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422884649 476827876 /nfs/dbraw/zinc/82/78/76/476827876.db2.gz SJEBYRSTCOBCCA-FXAWDEMLSA-N 2 3 333.520 2.762 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422884649 476827886 /nfs/dbraw/zinc/82/78/86/476827886.db2.gz SJEBYRSTCOBCCA-FXAWDEMLSA-N 2 3 333.520 2.762 10 0 EFAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000643480323 481486381 /nfs/dbraw/zinc/48/63/81/481486381.db2.gz VVRQIEUFFPQLDR-PLACYPQZSA-N 2 3 345.531 2.631 10 0 EFAEHP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)[C@@H]1CC[NH2+]C1 ZINC000665277161 481764159 /nfs/dbraw/zinc/76/41/59/481764159.db2.gz VLNOBSPJRNTROH-DFQSSKMNSA-N 2 3 327.516 2.876 10 0 EFAEHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786998 546923786 /nfs/dbraw/zinc/92/37/86/546923786.db2.gz ZBXHMMXZOMQCKW-HXUWFJFHSA-N 2 3 345.531 2.839 10 0 EFAEHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786998 546923793 /nfs/dbraw/zinc/92/37/93/546923793.db2.gz ZBXHMMXZOMQCKW-HXUWFJFHSA-N 2 3 345.531 2.839 10 0 EFAEHP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000310560153 717865887 /nfs/dbraw/zinc/86/58/87/717865887.db2.gz ZZCCHCDWYBPGHD-PWRODBHTSA-N 2 3 327.516 2.828 10 0 EFAEHP CCN1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000069160332 1101684459 /nfs/dbraw/zinc/68/44/59/1101684459.db2.gz ALRJKWLGZWENPG-HXUWFJFHSA-N 2 3 345.531 2.983 10 0 EFAEHP CC[NH+]1CCC(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422778421 276358487 /nfs/dbraw/zinc/35/84/87/276358487.db2.gz DPGCXOQRLHCUOA-FPOVZHCZSA-N 2 3 343.515 2.954 10 0 EFAEHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000572474044 319672934 /nfs/dbraw/zinc/67/29/34/319672934.db2.gz HXYPLGZORIZLDJ-FFZOFVMBSA-N 2 3 331.504 2.514 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422835263 476801193 /nfs/dbraw/zinc/80/11/93/476801193.db2.gz YJWVMJRAKTZLBN-HXUWFJFHSA-N 2 3 333.520 2.906 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422875639 476824118 /nfs/dbraw/zinc/82/41/18/476824118.db2.gz FKVAVMFAXMMIGT-XLIONFOSSA-N 2 3 333.520 2.905 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422875639 476824127 /nfs/dbraw/zinc/82/41/27/476824127.db2.gz FKVAVMFAXMMIGT-XLIONFOSSA-N 2 3 333.520 2.905 10 0 EFAEHP CC(C)[N@H+](C)CC1CCN(C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000590818998 478353681 /nfs/dbraw/zinc/35/36/81/478353681.db2.gz QHKVFDJXHGQDIE-NRFANRHFSA-N 2 3 347.547 2.532 10 0 EFAEHP CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000590818998 478353693 /nfs/dbraw/zinc/35/36/93/478353693.db2.gz QHKVFDJXHGQDIE-NRFANRHFSA-N 2 3 347.547 2.532 10 0 EFAEHP CC(C)[NH+](C)CC1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000590818998 478353696 /nfs/dbraw/zinc/35/36/96/478353696.db2.gz QHKVFDJXHGQDIE-NRFANRHFSA-N 2 3 347.547 2.532 10 0 EFAEHP CC(C)[NH+](C)CC1CCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000590818998 478353706 /nfs/dbraw/zinc/35/37/06/478353706.db2.gz QHKVFDJXHGQDIE-NRFANRHFSA-N 2 3 347.547 2.532 10 0 EFAEHP CN1CC[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1(C)C ZINC000623399820 480265237 /nfs/dbraw/zinc/26/52/37/480265237.db2.gz AQQWXTABEJRZJD-SFHVURJKSA-N 2 3 333.520 2.980 10 0 EFAEHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635005629 480683564 /nfs/dbraw/zinc/68/35/64/480683564.db2.gz VTMGBTFCAHPQNF-UNMCSNQZSA-N 2 3 349.478 2.678 10 0 EFAEHP CC[N@H+](CCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1)CC(C)C ZINC000662279256 481686747 /nfs/dbraw/zinc/68/67/47/481686747.db2.gz IEGFAXSFTSOSCU-LJQANCHMSA-N 2 3 337.552 2.587 10 0 EFAEHP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1)CC(C)C ZINC000662279256 481686753 /nfs/dbraw/zinc/68/67/53/481686753.db2.gz IEGFAXSFTSOSCU-LJQANCHMSA-N 2 3 337.552 2.587 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414980393 312070509 /nfs/dbraw/zinc/07/05/09/312070509.db2.gz WNKVXHXLKWDIJH-HXUWFJFHSA-N 2 3 344.547 2.840 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422739810 476755192 /nfs/dbraw/zinc/75/51/92/476755192.db2.gz LXAOCPKWSZDCIC-HXUWFJFHSA-N 2 3 333.520 2.762 10 0 EFAEHP CC[NH+](CC)CC1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000590125093 479607931 /nfs/dbraw/zinc/60/79/31/479607931.db2.gz DLLSIULWJNOLLS-OAQYLSRUSA-N 2 3 347.547 2.533 10 0 EFAEHP CC[NH+](CC)CC1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000590125093 479607933 /nfs/dbraw/zinc/60/79/33/479607933.db2.gz DLLSIULWJNOLLS-OAQYLSRUSA-N 2 3 347.547 2.533 10 0 EFAEHP CN1CC[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1(C)C ZINC000623399819 480265176 /nfs/dbraw/zinc/26/51/76/480265176.db2.gz AQQWXTABEJRZJD-GOSISDBHSA-N 2 3 333.520 2.980 10 0 EFAEHP C[NH2+]Cc1ccccc1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000650718732 481287766 /nfs/dbraw/zinc/28/77/66/481287766.db2.gz VJKRAXHUJSBKIE-UHFFFAOYSA-N 2 3 327.472 2.636 10 0 EFAEHP CSC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC[NH+](C)CC1 ZINC000925669093 720849368 /nfs/dbraw/zinc/84/93/68/720849368.db2.gz OTJVEJCMZDQEBU-SJORKVTESA-N 2 3 325.566 2.572 10 0 EFAEHP CC[NH+]1CCC(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422778416 279257265 /nfs/dbraw/zinc/25/72/65/279257265.db2.gz DPGCXOQRLHCUOA-CTNGQTDRSA-N 2 3 343.515 2.954 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422706455 476737738 /nfs/dbraw/zinc/73/77/38/476737738.db2.gz FCNYAIXWXIPHCF-HXUWFJFHSA-N 2 3 333.520 2.906 10 0 EFAEHP C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@]1(C)C[NH3+] ZINC000666983165 481237922 /nfs/dbraw/zinc/23/79/22/481237922.db2.gz QHNJKASAMIRAEU-YLJYHZDGSA-N 2 3 331.504 2.578 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000415009160 312076796 /nfs/dbraw/zinc/07/67/96/312076796.db2.gz DSHKIHBMIJMZRB-GOSISDBHSA-N 2 3 332.536 2.826 10 0 EFAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000310403473 474824930 /nfs/dbraw/zinc/82/49/30/474824930.db2.gz NRWVAMOWOAYISK-PMACEKPBSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@H](CCC[NH3+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310403473 474824936 /nfs/dbraw/zinc/82/49/36/474824936.db2.gz NRWVAMOWOAYISK-PMACEKPBSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@H](CCC[NH3+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310403473 474824943 /nfs/dbraw/zinc/82/49/43/474824943.db2.gz NRWVAMOWOAYISK-PMACEKPBSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422790340 476775707 /nfs/dbraw/zinc/77/57/07/476775707.db2.gz XPZHJNFSZNINGX-HXUWFJFHSA-N 2 3 333.520 2.906 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422875640 476823169 /nfs/dbraw/zinc/82/31/69/476823169.db2.gz FKVAVMFAXMMIGT-YLJYHZDGSA-N 2 3 333.520 2.905 10 0 EFAEHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422875640 476823177 /nfs/dbraw/zinc/82/31/77/476823177.db2.gz FKVAVMFAXMMIGT-YLJYHZDGSA-N 2 3 333.520 2.905 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422962267 476869253 /nfs/dbraw/zinc/86/92/53/476869253.db2.gz CKBRXKRISIUBCN-FQEVSTJZSA-N 2 3 333.520 2.762 10 0 EFAEHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000572474045 478842930 /nfs/dbraw/zinc/84/29/30/478842930.db2.gz HXYPLGZORIZLDJ-PWIZWCRZSA-N 2 3 331.504 2.514 10 0 EFAEHP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)[C@@H]1CC[NH2+]C1 ZINC000665277163 481764826 /nfs/dbraw/zinc/76/48/26/481764826.db2.gz VLNOBSPJRNTROH-SXLOBPIMSA-N 2 3 327.516 2.876 10 0 EFAEHP CCC[NH+]1CCC(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422745723 278802788 /nfs/dbraw/zinc/80/27/88/278802788.db2.gz VQKBBWLUIZUXKA-TZIWHRDSSA-N 2 3 343.515 2.954 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414980392 312070418 /nfs/dbraw/zinc/07/04/18/312070418.db2.gz WNKVXHXLKWDIJH-FQEVSTJZSA-N 2 3 344.547 2.840 10 0 EFAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000310403474 474825550 /nfs/dbraw/zinc/82/55/50/474825550.db2.gz NRWVAMOWOAYISK-UXHICEINSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@H](CCC[NH3+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310403474 474825555 /nfs/dbraw/zinc/82/55/55/474825555.db2.gz NRWVAMOWOAYISK-UXHICEINSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@H](CCC[NH3+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310403474 474825561 /nfs/dbraw/zinc/82/55/61/474825561.db2.gz NRWVAMOWOAYISK-UXHICEINSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422706452 476737755 /nfs/dbraw/zinc/73/77/55/476737755.db2.gz FCNYAIXWXIPHCF-FQEVSTJZSA-N 2 3 333.520 2.906 10 0 EFAEHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@@H]3C2)cc1 ZINC000400995231 476894997 /nfs/dbraw/zinc/89/49/97/476894997.db2.gz KEKGZSRALRIXIV-LYSZKAAZSA-N 2 3 339.527 2.875 10 0 EFAEHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000572474046 478843726 /nfs/dbraw/zinc/84/37/26/478843726.db2.gz HXYPLGZORIZLDJ-VDGAXYAQSA-N 2 3 331.504 2.514 10 0 EFAEHP CC[NH+](CC)CC1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000590125092 479607509 /nfs/dbraw/zinc/60/75/09/479607509.db2.gz DLLSIULWJNOLLS-NRFANRHFSA-N 2 3 347.547 2.533 10 0 EFAEHP CC[NH+](CC)CC1CCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000590125092 479607515 /nfs/dbraw/zinc/60/75/15/479607515.db2.gz DLLSIULWJNOLLS-NRFANRHFSA-N 2 3 347.547 2.533 10 0 EFAEHP C[C@H]([NH3+])c1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000666755398 481081010 /nfs/dbraw/zinc/08/10/10/481081010.db2.gz WAHNZMKSYJZJBA-INIZCTEOSA-N 2 3 327.472 2.937 10 0 EFAEHP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000310560151 720583560 /nfs/dbraw/zinc/58/35/60/720583560.db2.gz ZZCCHCDWYBPGHD-PCCBWWKXSA-N 2 3 327.516 2.828 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000580453419 324169017 /nfs/dbraw/zinc/16/90/17/324169017.db2.gz YDVRSHOSBQTEDA-UHFFFAOYSA-N 2 3 344.547 2.779 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422875638 476823123 /nfs/dbraw/zinc/82/31/23/476823123.db2.gz FKVAVMFAXMMIGT-PXNSSMCTSA-N 2 3 333.520 2.905 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422875638 476823127 /nfs/dbraw/zinc/82/31/27/476823127.db2.gz FKVAVMFAXMMIGT-PXNSSMCTSA-N 2 3 333.520 2.905 10 0 EFAEHP C[C@@H]([NH3+])c1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000666755399 481080533 /nfs/dbraw/zinc/08/05/33/481080533.db2.gz WAHNZMKSYJZJBA-MRXNPFEDSA-N 2 3 327.472 2.937 10 0 EFAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000643480325 481485391 /nfs/dbraw/zinc/48/53/91/481485391.db2.gz VVRQIEUFFPQLDR-XSDIEEQYSA-N 2 3 345.531 2.631 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655826997 546602576 /nfs/dbraw/zinc/60/25/76/546602576.db2.gz LPHIYYDWFZJCMK-PUZFROQSSA-N 2 3 344.547 2.648 10 0 EFAEHP COCCN(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886502936 1294994681 /nfs/dbraw/zinc/99/46/81/1294994681.db2.gz USCWWQYOSDZDGV-HBMCJLEFSA-N 2 3 345.531 2.597 10 0 EFAEHP COCCN(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886502936 1294994700 /nfs/dbraw/zinc/99/47/00/1294994700.db2.gz USCWWQYOSDZDGV-HBMCJLEFSA-N 2 3 345.531 2.597 10 0 EFAEHP CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903977515 1313525950 /nfs/dbraw/zinc/52/59/50/1313525950.db2.gz RMDUSHWNRSOHSF-RTBURBONSA-N 2 3 344.547 2.635 10 0 EFAEHP CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903977515 1313525951 /nfs/dbraw/zinc/52/59/51/1313525951.db2.gz RMDUSHWNRSOHSF-RTBURBONSA-N 2 3 344.547 2.635 10 0 EFAEHP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000310560155 717865803 /nfs/dbraw/zinc/86/58/03/717865803.db2.gz ZZCCHCDWYBPGHD-QHAWAJNXSA-N 2 3 327.516 2.828 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH2+]CCCC[NH+](C)C)CC1 ZINC000343886460 476128961 /nfs/dbraw/zinc/12/89/61/476128961.db2.gz CCUANOBOAIXOSV-UHFFFAOYSA-N 2 3 332.536 2.650 10 0 EFAEHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635005628 480683858 /nfs/dbraw/zinc/68/38/58/480683858.db2.gz VTMGBTFCAHPQNF-RBBKRZOGSA-N 2 3 349.478 2.678 10 0 EFAEHP c1ccc(CN2CC[C@H]3C[N@@H+](C[C@@H]4CCCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000903783989 1313208753 /nfs/dbraw/zinc/20/87/53/1313208753.db2.gz IQELWGBXIVJYLP-QHAWAJNXSA-N 2 3 327.516 2.830 10 0 EFAEHP c1ccc(CN2CC[C@H]3C[N@H+](C[C@@H]4CCCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000903783989 1313208756 /nfs/dbraw/zinc/20/87/56/1313208756.db2.gz IQELWGBXIVJYLP-QHAWAJNXSA-N 2 3 327.516 2.830 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422739809 476754166 /nfs/dbraw/zinc/75/41/66/476754166.db2.gz LXAOCPKWSZDCIC-FQEVSTJZSA-N 2 3 333.520 2.762 10 0 EFAEHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422984437 476878313 /nfs/dbraw/zinc/87/83/13/476878313.db2.gz AXLOYKBBQPXTHE-HNNXBMFYSA-N 2 3 339.487 2.811 10 0 EFAEHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422984438 476878350 /nfs/dbraw/zinc/87/83/50/476878350.db2.gz AXLOYKBBQPXTHE-OAHLLOKOSA-N 2 3 339.487 2.811 10 0 EFAEHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@@H]3C2)cc1 ZINC000400995225 476894821 /nfs/dbraw/zinc/89/48/21/476894821.db2.gz KEKGZSRALRIXIV-FTMCFMMZSA-N 2 3 339.527 2.875 10 0 EFAEHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@H]3C2)cc1 ZINC000400995230 476895356 /nfs/dbraw/zinc/89/53/56/476895356.db2.gz KEKGZSRALRIXIV-HQZKGGBDSA-N 2 3 339.527 2.875 10 0 EFAEHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@H]3C2)cc1 ZINC000400995227 476895746 /nfs/dbraw/zinc/89/57/46/476895746.db2.gz KEKGZSRALRIXIV-HJEMKOJISA-N 2 3 339.527 2.875 10 0 EFAEHP CN1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1(C)C ZINC000623487959 480307722 /nfs/dbraw/zinc/30/77/22/480307722.db2.gz BITHMXRVPDHMTH-UXHICEINSA-N 2 3 345.531 2.606 10 0 EFAEHP CN1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1(C)C ZINC000623487959 480307728 /nfs/dbraw/zinc/30/77/28/480307728.db2.gz BITHMXRVPDHMTH-UXHICEINSA-N 2 3 345.531 2.606 10 0 EFAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000643480322 481486309 /nfs/dbraw/zinc/48/63/09/481486309.db2.gz VVRQIEUFFPQLDR-IVAOSVALSA-N 2 3 345.531 2.631 10 0 EFAEHP CN(c1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCN(C)CC1 ZINC000655825992 546601447 /nfs/dbraw/zinc/60/14/47/546601447.db2.gz BAOMZOSEKUVUOE-MSEWRSJXSA-N 2 3 344.547 2.647 10 0 EFAEHP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000903444069 1312690107 /nfs/dbraw/zinc/69/01/07/1312690107.db2.gz OWPJHCSQDUTDOW-HLAWJBBLSA-N 2 3 327.516 2.830 10 0 EFAEHP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000903444069 1312690111 /nfs/dbraw/zinc/69/01/11/1312690111.db2.gz OWPJHCSQDUTDOW-HLAWJBBLSA-N 2 3 327.516 2.830 10 0 EFAEHP NCCC[NH2+]CCCCCCC[NH2+]CCCNCc1ccccc1 ZINC000027652528 472188642 /nfs/dbraw/zinc/18/86/42/472188642.db2.gz XOIQPSMIHNNVPI-UHFFFAOYSA-N 2 3 334.552 2.645 10 0 EFAEHP C[NH+]1CCC(O)(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449161265 477463309 /nfs/dbraw/zinc/46/33/09/477463309.db2.gz FCGPMUQUDLEVAZ-UHFFFAOYSA-N 2 3 339.568 2.712 10 0 EFAEHP CN1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1(C)C ZINC000623487961 480307421 /nfs/dbraw/zinc/30/74/21/480307421.db2.gz BITHMXRVPDHMTH-WOJBJXKFSA-N 2 3 345.531 2.606 10 0 EFAEHP CN1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1(C)C ZINC000623487961 480307427 /nfs/dbraw/zinc/30/74/27/480307427.db2.gz BITHMXRVPDHMTH-WOJBJXKFSA-N 2 3 345.531 2.606 10 0 EFAEHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635005625 480683359 /nfs/dbraw/zinc/68/33/59/480683359.db2.gz VTMGBTFCAHPQNF-IRLDBZIGSA-N 2 3 349.478 2.678 10 0 EFAEHP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1)CC(C)C ZINC000662279254 481686643 /nfs/dbraw/zinc/68/66/43/481686643.db2.gz IEGFAXSFTSOSCU-IBGZPJMESA-N 2 3 337.552 2.587 10 0 EFAEHP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1)CC(C)C ZINC000662279254 481686650 /nfs/dbraw/zinc/68/66/50/481686650.db2.gz IEGFAXSFTSOSCU-IBGZPJMESA-N 2 3 337.552 2.587 10 0 EFAEHP COCCN(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886502935 1294994064 /nfs/dbraw/zinc/99/40/64/1294994064.db2.gz USCWWQYOSDZDGV-ACRUOGEOSA-N 2 3 345.531 2.597 10 0 EFAEHP COCCN(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886502935 1294994077 /nfs/dbraw/zinc/99/40/77/1294994077.db2.gz USCWWQYOSDZDGV-ACRUOGEOSA-N 2 3 345.531 2.597 10 0 EFAEHP c1ccc(CN2CC[C@H]3C[N@@H+](C[C@H]4CCCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000903783988 1313208369 /nfs/dbraw/zinc/20/83/69/1313208369.db2.gz IQELWGBXIVJYLP-PCCBWWKXSA-N 2 3 327.516 2.830 10 0 EFAEHP c1ccc(CN2CC[C@H]3C[N@H+](C[C@H]4CCCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000903783988 1313208372 /nfs/dbraw/zinc/20/83/72/1313208372.db2.gz IQELWGBXIVJYLP-PCCBWWKXSA-N 2 3 327.516 2.830 10 0 EFAEHP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000310560148 717866159 /nfs/dbraw/zinc/86/61/59/717866159.db2.gz ZZCCHCDWYBPGHD-NJDAHSKKSA-N 2 3 327.516 2.828 10 0 EFAEHP CCC[NH+]1CCC(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422745720 276257596 /nfs/dbraw/zinc/25/75/96/276257596.db2.gz VQKBBWLUIZUXKA-FPOVZHCZSA-N 2 3 343.515 2.954 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414912693 312061375 /nfs/dbraw/zinc/06/13/75/312061375.db2.gz VQWFBNVSCHDFDB-UHFFFAOYSA-N 2 3 344.547 2.698 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422790338 476776283 /nfs/dbraw/zinc/77/62/83/476776283.db2.gz XPZHJNFSZNINGX-FQEVSTJZSA-N 2 3 333.520 2.906 10 0 EFAEHP CC(C)[N@H+](C)CC1CCN(C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000590818999 478353867 /nfs/dbraw/zinc/35/38/67/478353867.db2.gz QHKVFDJXHGQDIE-OAQYLSRUSA-N 2 3 347.547 2.532 10 0 EFAEHP CC(C)[N@@H+](C)CC1CCN(C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000590818999 478353876 /nfs/dbraw/zinc/35/38/76/478353876.db2.gz QHKVFDJXHGQDIE-OAQYLSRUSA-N 2 3 347.547 2.532 10 0 EFAEHP CC(C)[NH+](C)CC1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000590818999 478353888 /nfs/dbraw/zinc/35/38/88/478353888.db2.gz QHKVFDJXHGQDIE-OAQYLSRUSA-N 2 3 347.547 2.532 10 0 EFAEHP CC(C)[NH+](C)CC1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000590818999 478353897 /nfs/dbraw/zinc/35/38/97/478353897.db2.gz QHKVFDJXHGQDIE-OAQYLSRUSA-N 2 3 347.547 2.532 10 0 EFAEHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000572474043 478843643 /nfs/dbraw/zinc/84/36/43/478843643.db2.gz HXYPLGZORIZLDJ-DBVUQKKJSA-N 2 3 331.504 2.514 10 0 EFAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000643480324 481486023 /nfs/dbraw/zinc/48/60/23/481486023.db2.gz VVRQIEUFFPQLDR-UWHLTILDSA-N 2 3 345.531 2.631 10 0 EFAEHP CCc1ccc2nccc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c2c1 ZINC000866011201 1303487904 /nfs/dbraw/zinc/48/79/04/1303487904.db2.gz WCDCMWRJXNKGPQ-QZTJIDSGSA-N 2 3 340.515 2.973 10 0 EFAEHP c1ccc(CN2C[C@@H]3C[NH+](Cc4ccc5c(c4)C[NH2+]CC5)C[C@H]3C2)cc1 ZINC000705969192 1102137362 /nfs/dbraw/zinc/13/73/62/1102137362.db2.gz VXNQBQGARVSAED-DHIUTWEWSA-N 2 3 347.506 2.896 10 0 EFAEHP C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@]1(C)C[NH3+] ZINC000415056120 312085132 /nfs/dbraw/zinc/08/51/32/312085132.db2.gz QADRYFLMMMQGPM-DYESRHJHSA-N 2 3 344.547 2.634 10 0 EFAEHP COC[C@H](CCC[NH3+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422835262 476801477 /nfs/dbraw/zinc/80/14/77/476801477.db2.gz YJWVMJRAKTZLBN-FQEVSTJZSA-N 2 3 333.520 2.906 10 0 EFAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000310403476 474824487 /nfs/dbraw/zinc/82/44/87/474824487.db2.gz NRWVAMOWOAYISK-WOJBJXKFSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@@H](CCC[NH3+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310403476 474824502 /nfs/dbraw/zinc/82/45/02/474824502.db2.gz NRWVAMOWOAYISK-WOJBJXKFSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@@H](CCC[NH3+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310403476 474824510 /nfs/dbraw/zinc/82/45/10/474824510.db2.gz NRWVAMOWOAYISK-WOJBJXKFSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000310403475 474826162 /nfs/dbraw/zinc/82/61/62/474826162.db2.gz NRWVAMOWOAYISK-VQTJNVASSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@@H](CCC[NH3+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310403475 474826170 /nfs/dbraw/zinc/82/61/70/474826170.db2.gz NRWVAMOWOAYISK-VQTJNVASSA-N 2 3 333.520 2.632 10 0 EFAEHP COC[C@@H](CCC[NH3+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310403475 474826176 /nfs/dbraw/zinc/82/61/76/474826176.db2.gz NRWVAMOWOAYISK-VQTJNVASSA-N 2 3 333.520 2.632 10 0 EFAEHP C[C@]1(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]C1 ZINC000261925804 475115838 /nfs/dbraw/zinc/11/58/38/475115838.db2.gz CDVAJFUGNMYLHW-FQEVSTJZSA-N 2 3 327.516 2.974 10 0 EFAEHP C[C@]1(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]C1 ZINC000261925804 475115843 /nfs/dbraw/zinc/11/58/43/475115843.db2.gz CDVAJFUGNMYLHW-FQEVSTJZSA-N 2 3 327.516 2.974 10 0 EFAEHP CN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1(C)C ZINC000623487958 480307648 /nfs/dbraw/zinc/30/76/48/480307648.db2.gz BITHMXRVPDHMTH-PMACEKPBSA-N 2 3 345.531 2.606 10 0 EFAEHP CN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1(C)C ZINC000623487958 480307653 /nfs/dbraw/zinc/30/76/53/480307653.db2.gz BITHMXRVPDHMTH-PMACEKPBSA-N 2 3 345.531 2.606 10 0 EFAEHP CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903974456 1313521537 /nfs/dbraw/zinc/52/15/37/1313521537.db2.gz NPRHDMRTVPPXTB-RTBURBONSA-N 2 3 344.547 2.554 10 0 EFAEHP CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000924865362 720366450 /nfs/dbraw/zinc/36/64/50/720366450.db2.gz GNBYXUOUNXYMEB-JJTKIYQPSA-N 2 3 333.545 2.890 10 0 EFAEHP