smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C/CN(C)C1CC[NH+](C)CC1 ZINC000002498779 1118575383 /nfs/dbraw/zinc/57/53/83/1118575383.db2.gz DQIZIMZIURDCST-CXUHLZMHSA-N 1 3 264.457 3.705 50 0 CHAAHO CC[C@H]1C=CCN1Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000952868187 1132015972 /nfs/dbraw/zinc/01/59/72/1132015972.db2.gz CVVZPOPUYKYPKB-HNNXBMFYSA-N 1 3 290.476 3.884 50 0 CHAAHO CSc1ccccc1CN1CCC([C@H](C)[NH+](C)C)CC1 ZINC000077454736 177270286 /nfs/dbraw/zinc/27/02/86/177270286.db2.gz FOUOTAMVTVCEIH-AWEZNQCLSA-N 1 3 292.492 3.571 50 0 CHAAHO CC(C)[C@H](NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000035016052 566841767 /nfs/dbraw/zinc/84/17/67/566841767.db2.gz KZZMDQKXUATUBB-SFHVURJKSA-N 1 3 274.452 3.846 50 0 CHAAHO CCCC[NH+](CCCC)[C@@H]1CCCCN2CCCN=C12 ZINC000002389286 567845928 /nfs/dbraw/zinc/84/59/28/567845928.db2.gz MGKYTFDYDXZTEM-MRXNPFEDSA-N 1 3 279.472 3.545 50 0 CHAAHO C[C@H](c1ccc(-c2cc(N)ccn2)cc1)[NH+]1CCCCC1 ZINC000096180396 567910230 /nfs/dbraw/zinc/91/02/30/567910230.db2.gz VRESRDYBBFEJMU-CQSZACIVSA-N 1 3 281.403 3.878 50 0 CHAAHO CCN(CC)CCC[NH2+]C1C[C@@H](C(C)C)O[C@H](C(C)C)C1 ZINC000524734828 1126792723 /nfs/dbraw/zinc/79/27/23/1126792723.db2.gz BPDWPZDLLOSKQI-ROUUACIJSA-N 1 3 298.515 3.536 50 0 CHAAHO C1CCC(N2CCC([NH+]3CCCCCC3)CC2)CC1 ZINC000004703447 170002130 /nfs/dbraw/zinc/00/21/30/170002130.db2.gz BSGAUFJEHNSTJX-UHFFFAOYSA-N 1 3 264.457 3.660 50 0 CHAAHO C1CCC([NH+]2CCC(N3CCCCCC3)CC2)CC1 ZINC000004703447 170002131 /nfs/dbraw/zinc/00/21/31/170002131.db2.gz BSGAUFJEHNSTJX-UHFFFAOYSA-N 1 3 264.457 3.660 50 0 CHAAHO CC1CCN(C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000004723262 170006061 /nfs/dbraw/zinc/00/60/61/170006061.db2.gz IVIGFDJXCVSDLP-AEFFLSMTSA-N 1 3 278.484 3.761 50 0 CHAAHO CC1CC[NH+](C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000004723262 170006063 /nfs/dbraw/zinc/00/60/63/170006063.db2.gz IVIGFDJXCVSDLP-AEFFLSMTSA-N 1 3 278.484 3.761 50 0 CHAAHO CC1CC[NH+](C2CCN(C3CCCCC3)CC2)CC1 ZINC000004745818 170010393 /nfs/dbraw/zinc/01/03/93/170010393.db2.gz LIVDPNYSDMDMOH-UHFFFAOYSA-N 1 3 264.457 3.515 50 0 CHAAHO CC1CCN(C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000004745818 170010395 /nfs/dbraw/zinc/01/03/95/170010395.db2.gz LIVDPNYSDMDMOH-UHFFFAOYSA-N 1 3 264.457 3.515 50 0 CHAAHO c1ccc([C@@H]2[N@H+](C3CCNCC3)CC23CCCCC3)cc1 ZINC000169676556 567939448 /nfs/dbraw/zinc/93/94/48/567939448.db2.gz ALVPVVPYHDKTBR-SFHVURJKSA-N 1 3 284.447 3.746 50 0 CHAAHO c1ccc([C@@H]2[N@@H+](C3CCNCC3)CC23CCCCC3)cc1 ZINC000169676556 567939450 /nfs/dbraw/zinc/93/94/50/567939450.db2.gz ALVPVVPYHDKTBR-SFHVURJKSA-N 1 3 284.447 3.746 50 0 CHAAHO c1ccc([C@H]2[N@H+](C3CCNCC3)CC23CCCCC3)cc1 ZINC000169676557 567939458 /nfs/dbraw/zinc/93/94/58/567939458.db2.gz ALVPVVPYHDKTBR-GOSISDBHSA-N 1 3 284.447 3.746 50 0 CHAAHO c1ccc([C@H]2[N@@H+](C3CCNCC3)CC23CCCCC3)cc1 ZINC000169676557 567939459 /nfs/dbraw/zinc/93/94/59/567939459.db2.gz ALVPVVPYHDKTBR-GOSISDBHSA-N 1 3 284.447 3.746 50 0 CHAAHO C1C[C@H]2C[C@@H]1[C@@H](N1CCC([NH+]3CCCCCC3)CC1)C2 ZINC000004703446 170001677 /nfs/dbraw/zinc/00/16/77/170001677.db2.gz XCZBNZIWHQGJOM-JZXOWHBKSA-N 1 3 276.468 3.515 50 0 CHAAHO C1C[C@H]2C[C@@H]1[C@@H]([NH+]1CCC(N3CCCCCC3)CC1)C2 ZINC000004703446 170001679 /nfs/dbraw/zinc/00/16/79/170001679.db2.gz XCZBNZIWHQGJOM-JZXOWHBKSA-N 1 3 276.468 3.515 50 0 CHAAHO C[C@@H]1CCC[C@H]([NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000004904174 170039132 /nfs/dbraw/zinc/03/91/32/170039132.db2.gz JXZJRVLMSAQATR-WBVHZDCISA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@@H]1CCC[C@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000004904174 170039134 /nfs/dbraw/zinc/03/91/34/170039134.db2.gz JXZJRVLMSAQATR-WBVHZDCISA-N 1 3 264.457 3.515 50 0 CHAAHO CC1CCN(C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000004723259 170005407 /nfs/dbraw/zinc/00/54/07/170005407.db2.gz IVIGFDJXCVSDLP-FUHWJXTLSA-N 1 3 278.484 3.761 50 0 CHAAHO CC1CC[NH+](C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000004723259 170005410 /nfs/dbraw/zinc/00/54/10/170005410.db2.gz IVIGFDJXCVSDLP-FUHWJXTLSA-N 1 3 278.484 3.761 50 0 CHAAHO CC(C)CC[NH+](CCC(C)C)C[C@@H]1CCCCCN1 ZINC000039706271 174171427 /nfs/dbraw/zinc/17/14/27/174171427.db2.gz FHUGWLMGVKKUOL-KRWDZBQOSA-N 1 3 268.489 3.913 50 0 CHAAHO CN1CCC[C@@H]1CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000000213977 1129736248 /nfs/dbraw/zinc/73/62/48/1129736248.db2.gz WNLHYHOITGLYJS-CTWPCTMYSA-N 1 3 286.463 3.787 50 0 CHAAHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCCC1 ZINC000248401618 566870298 /nfs/dbraw/zinc/87/02/98/566870298.db2.gz MAJADYABSVVSSL-ZOBUZTSGSA-N 1 3 278.484 3.808 50 0 CHAAHO C[NH+](C)CC(C)(C)CNCc1cccc2ccccc21 ZINC000019905666 567931692 /nfs/dbraw/zinc/93/16/92/567931692.db2.gz IKUDXOQFNGDQJT-UHFFFAOYSA-N 1 3 270.420 3.517 50 0 CHAAHO CC(C)Oc1ccc([C@H](NCCC[NH+](C)C)C(C)C)cc1 ZINC000012391219 570315752 /nfs/dbraw/zinc/31/57/52/570315752.db2.gz GAJWPYHCHMVONZ-GOSISDBHSA-N 1 3 292.467 3.712 50 0 CHAAHO CCC[C@H]1C=CC[N@@H+]1Cc1cc(CN2CCCC2)cs1 ZINC000822804568 1121971562 /nfs/dbraw/zinc/97/15/62/1121971562.db2.gz FGVXSAJJZRRSDP-INIZCTEOSA-N 1 3 290.476 3.884 50 0 CHAAHO CCC[C@H]1C=CC[N@H+]1Cc1cc(CN2CCCC2)cs1 ZINC000822804568 1121971569 /nfs/dbraw/zinc/97/15/69/1121971569.db2.gz FGVXSAJJZRRSDP-INIZCTEOSA-N 1 3 290.476 3.884 50 0 CHAAHO c1csc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000006600478 170217782 /nfs/dbraw/zinc/21/77/82/170217782.db2.gz YYKKOYCTVRVFSR-UHFFFAOYSA-N 1 3 286.444 3.502 50 0 CHAAHO C[C@H](CCc1ccco1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000095419376 567131425 /nfs/dbraw/zinc/13/14/25/567131425.db2.gz HRFRTUBDRSAARM-OAHLLOKOSA-N 1 3 290.451 3.597 50 0 CHAAHO C[C@H](CCc1ccco1)NC1CC[NH+](C2CCCC2)CC1 ZINC000095419376 567131432 /nfs/dbraw/zinc/13/14/32/567131432.db2.gz HRFRTUBDRSAARM-OAHLLOKOSA-N 1 3 290.451 3.597 50 0 CHAAHO C[C@@H](CN1CCCC1)C[N@H+](C)C1CC(c2ccccc2)C1 ZINC000032534926 570338493 /nfs/dbraw/zinc/33/84/93/570338493.db2.gz QKNKYZKIEPSIMN-IPJUCJBFSA-N 1 3 286.463 3.596 50 0 CHAAHO C[C@@H](CN1CCCC1)C[N@@H+](C)C1CC(c2ccccc2)C1 ZINC000032534926 570338495 /nfs/dbraw/zinc/33/84/95/570338495.db2.gz QKNKYZKIEPSIMN-IPJUCJBFSA-N 1 3 286.463 3.596 50 0 CHAAHO C[C@H](CN(C)C1CC(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000032534926 570338496 /nfs/dbraw/zinc/33/84/96/570338496.db2.gz QKNKYZKIEPSIMN-IPJUCJBFSA-N 1 3 286.463 3.596 50 0 CHAAHO CCC[C@@H]1C=CC[N@@H+]1Cc1cc(CN2CCCC2)cs1 ZINC000822804586 1121972271 /nfs/dbraw/zinc/97/22/71/1121972271.db2.gz FGVXSAJJZRRSDP-MRXNPFEDSA-N 1 3 290.476 3.884 50 0 CHAAHO CCC[C@@H]1C=CC[N@H+]1Cc1cc(CN2CCCC2)cs1 ZINC000822804586 1121972277 /nfs/dbraw/zinc/97/22/77/1121972277.db2.gz FGVXSAJJZRRSDP-MRXNPFEDSA-N 1 3 290.476 3.884 50 0 CHAAHO CCC[NH+]1CCC(N[C@@H]2CCCc3ccccc32)CC1 ZINC000000279828 528204679 /nfs/dbraw/zinc/20/46/79/528204679.db2.gz SCPUJCPRKAHUIL-GOSISDBHSA-N 1 3 272.436 3.528 50 0 CHAAHO Cc1ccc(-c2cccc(CN3CCC[C@@H]([NH3+])CC3)c2)o1 ZINC000097522450 567910682 /nfs/dbraw/zinc/91/06/82/567910682.db2.gz MKWUVUJVNFAADU-QGZVFWFLSA-N 1 3 284.403 3.568 50 0 CHAAHO CCN(CC)CCC[NH2+]C1C[C@H](C(C)C)O[C@@H](C(C)C)C1 ZINC000524734827 1126792761 /nfs/dbraw/zinc/79/27/61/1126792761.db2.gz BPDWPZDLLOSKQI-QZTJIDSGSA-N 1 3 298.515 3.536 50 0 CHAAHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCN1CCCC1 ZINC000225532590 567953918 /nfs/dbraw/zinc/95/39/18/567953918.db2.gz XJBRBMAPYZBIQP-DOTOQJQBSA-N 1 3 272.436 3.619 50 0 CHAAHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000004904178 170039171 /nfs/dbraw/zinc/03/91/71/170039171.db2.gz JXZJRVLMSAQATR-NVXWUHKLSA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@@H]1CCC[C@@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000004904178 170039172 /nfs/dbraw/zinc/03/91/72/170039172.db2.gz JXZJRVLMSAQATR-NVXWUHKLSA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@H]1CCC[N@@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000004703488 170002037 /nfs/dbraw/zinc/00/20/37/170002037.db2.gz HDWPVODJKJVUIP-HNNXBMFYSA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@H]1CCC[N@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000004703488 170002039 /nfs/dbraw/zinc/00/20/39/170002039.db2.gz HDWPVODJKJVUIP-HNNXBMFYSA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@H]1CCCN(C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000004703488 170002040 /nfs/dbraw/zinc/00/20/40/170002040.db2.gz HDWPVODJKJVUIP-HNNXBMFYSA-N 1 3 264.457 3.515 50 0 CHAAHO CC[N@H+](C)C[C@@H]1CCN(CCCC2CCCCC2)C1 ZINC000225639051 567954487 /nfs/dbraw/zinc/95/44/87/567954487.db2.gz JGLSBAVMNQIFKS-KRWDZBQOSA-N 1 3 266.473 3.621 50 0 CHAAHO CC[N@@H+](C)C[C@@H]1CCN(CCCC2CCCCC2)C1 ZINC000225639051 567954488 /nfs/dbraw/zinc/95/44/88/567954488.db2.gz JGLSBAVMNQIFKS-KRWDZBQOSA-N 1 3 266.473 3.621 50 0 CHAAHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCCC1 ZINC000170072911 567005741 /nfs/dbraw/zinc/00/57/41/567005741.db2.gz MAJADYABSVVSSL-YQQAZPJKSA-N 1 3 278.484 3.808 50 0 CHAAHO C[C@@H](CCc1ccco1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000095419375 567132339 /nfs/dbraw/zinc/13/23/39/567132339.db2.gz HRFRTUBDRSAARM-HNNXBMFYSA-N 1 3 290.451 3.597 50 0 CHAAHO C[C@@H](CCc1ccco1)NC1CC[NH+](C2CCCC2)CC1 ZINC000095419375 567132341 /nfs/dbraw/zinc/13/23/41/567132341.db2.gz HRFRTUBDRSAARM-HNNXBMFYSA-N 1 3 290.451 3.597 50 0 CHAAHO C[C@@H]1CCCCN1CCC[NH2+]C1CCCCCC1 ZINC000019912903 567879648 /nfs/dbraw/zinc/87/96/48/567879648.db2.gz OERFHJMDYSIMQY-OAHLLOKOSA-N 1 3 252.446 3.563 50 0 CHAAHO Cc1cc(C)c(CNCc2ccccc2C[NH+](C)C)cc1C ZINC000061557587 567928148 /nfs/dbraw/zinc/92/81/48/567928148.db2.gz HTVADTIBOYSFMT-UHFFFAOYSA-N 1 3 296.458 3.963 50 0 CHAAHO CCN(C)C[C@@H]1CC[N@H+](CCCC2CCCCC2)C1 ZINC000225639051 567954485 /nfs/dbraw/zinc/95/44/85/567954485.db2.gz JGLSBAVMNQIFKS-KRWDZBQOSA-N 1 3 266.473 3.621 50 0 CHAAHO CCN(C)C[C@@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000225639051 567954486 /nfs/dbraw/zinc/95/44/86/567954486.db2.gz JGLSBAVMNQIFKS-KRWDZBQOSA-N 1 3 266.473 3.621 50 0 CHAAHO CCN(CC)CCC[NH2+][C@H]1C[C@H](C(C)C)O[C@H](C(C)C)C1 ZINC000524734826 1126793123 /nfs/dbraw/zinc/79/31/23/1126793123.db2.gz BPDWPZDLLOSKQI-BCDXTJNWSA-N 1 3 298.515 3.536 50 0 CHAAHO CC[C@H]1C=CC[N@@H+]1Cc1cc(CN2CCCCC2)cs1 ZINC000952872939 1132014799 /nfs/dbraw/zinc/01/47/99/1132014799.db2.gz SABTUYIVMAORFX-INIZCTEOSA-N 1 3 290.476 3.884 50 0 CHAAHO CC[C@H]1C=CC[N@H+]1Cc1cc(CN2CCCCC2)cs1 ZINC000952872939 1132014807 /nfs/dbraw/zinc/01/48/07/1132014807.db2.gz SABTUYIVMAORFX-INIZCTEOSA-N 1 3 290.476 3.884 50 0 CHAAHO Cc1cc(N2CC[NH+](C3CCCC3)CC2)c2ccccc2n1 ZINC000089583042 135060199 /nfs/dbraw/zinc/06/01/99/135060199.db2.gz ATKUQASVEOCMPX-UHFFFAOYSA-N 1 3 295.430 3.608 50 0 CHAAHO C/C(=C/c1ccccc1)C[NH2+]CCCNc1ccncc1 ZINC000075107977 566936323 /nfs/dbraw/zinc/93/63/23/566936323.db2.gz DZWDXICCOLYGKB-PEZBUJJGSA-N 1 3 281.403 3.577 50 0 CHAAHO CC(C)[NH+]1CCC(CN2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000216175764 567947527 /nfs/dbraw/zinc/94/75/27/567947527.db2.gz RQJGGGTYABOIBA-GOSISDBHSA-N 1 3 290.426 3.693 50 0 CHAAHO C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000248401617 566870268 /nfs/dbraw/zinc/87/02/68/566870268.db2.gz MAJADYABSVVSSL-UXLLHSPISA-N 1 3 278.484 3.808 50 0 CHAAHO CC1CCC(N2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000004745820 170010585 /nfs/dbraw/zinc/01/05/85/170010585.db2.gz ROFKVSGLSRGFIO-UHFFFAOYSA-N 1 3 278.484 3.761 50 0 CHAAHO CC1CCC([NH+]2CCC(N3CCC(C)CC3)CC2)CC1 ZINC000004745820 170010587 /nfs/dbraw/zinc/01/05/87/170010587.db2.gz ROFKVSGLSRGFIO-UHFFFAOYSA-N 1 3 278.484 3.761 50 0 CHAAHO C[NH+](C)Cc1ccc([C@@H]2CCCN2Cc2ccoc2)cc1 ZINC000065421094 567899134 /nfs/dbraw/zinc/89/91/34/567899134.db2.gz WFZHJHGULPCYFL-SFHVURJKSA-N 1 3 284.403 3.678 50 0 CHAAHO CC1(C)CC([NH2+]C2C3CC4CC(C3)CC2C4)CC(C)(C)N1 ZINC000003683721 169907817 /nfs/dbraw/zinc/90/78/17/169907817.db2.gz XNKNRVLDHOFSNJ-UHFFFAOYSA-N 1 3 290.495 3.710 50 0 CHAAHO C[C@@H]1CCC[N@@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000004703487 170001879 /nfs/dbraw/zinc/00/18/79/170001879.db2.gz HDWPVODJKJVUIP-OAHLLOKOSA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@@H]1CCC[N@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000004703487 170001881 /nfs/dbraw/zinc/00/18/81/170001881.db2.gz HDWPVODJKJVUIP-OAHLLOKOSA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@@H]1CCCN(C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000004703487 170001882 /nfs/dbraw/zinc/00/18/82/170001882.db2.gz HDWPVODJKJVUIP-OAHLLOKOSA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@H]1CCC[C@H]([NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000004904176 170039299 /nfs/dbraw/zinc/03/92/99/170039299.db2.gz JXZJRVLMSAQATR-RDJZCZTQSA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@H]1CCC[C@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000004904176 170039301 /nfs/dbraw/zinc/03/93/01/170039301.db2.gz JXZJRVLMSAQATR-RDJZCZTQSA-N 1 3 264.457 3.515 50 0 CHAAHO CC1CCC(N2CCC([NH+]3CCCCCC3)CC2)CC1 ZINC000000859212 567835072 /nfs/dbraw/zinc/83/50/72/567835072.db2.gz JJSWRZZYHICZDP-UHFFFAOYSA-N 1 3 278.484 3.906 50 0 CHAAHO CC1CCC([NH+]2CCC(N3CCCCCC3)CC2)CC1 ZINC000000859212 567835073 /nfs/dbraw/zinc/83/50/73/567835073.db2.gz JJSWRZZYHICZDP-UHFFFAOYSA-N 1 3 278.484 3.906 50 0 CHAAHO C[C@H]1CCCCN1CCC[NH2+]C1CCCCCC1 ZINC000019912905 567879605 /nfs/dbraw/zinc/87/96/05/567879605.db2.gz OERFHJMDYSIMQY-HNNXBMFYSA-N 1 3 252.446 3.563 50 0 CHAAHO CC(C)Oc1ccc([C@@H](NCCC[NH+](C)C)C(C)C)cc1 ZINC000012391218 570315681 /nfs/dbraw/zinc/31/56/81/570315681.db2.gz GAJWPYHCHMVONZ-SFHVURJKSA-N 1 3 292.467 3.712 50 0 CHAAHO Cc1[nH]c2c(cccc2C[N@H+]2CCC[C@H](N(C)C)CC2)c1C ZINC000072140036 176322937 /nfs/dbraw/zinc/32/29/37/176322937.db2.gz JZGRNHWVSLILAM-KRWDZBQOSA-N 1 3 299.462 3.701 50 0 CHAAHO Cc1[nH]c2c(cccc2C[N@@H+]2CCC[C@H](N(C)C)CC2)c1C ZINC000072140036 176322939 /nfs/dbraw/zinc/32/29/39/176322939.db2.gz JZGRNHWVSLILAM-KRWDZBQOSA-N 1 3 299.462 3.701 50 0 CHAAHO CCCC[NH+](CCCC)[C@H]1CCCCN2CCCN=C12 ZINC000004978230 170047985 /nfs/dbraw/zinc/04/79/85/170047985.db2.gz MGKYTFDYDXZTEM-INIZCTEOSA-N 1 3 279.472 3.545 50 0 CHAAHO C/C(=C\c1ccccc1)C[NH2+]CCCNc1ccncc1 ZINC000096055685 185076014 /nfs/dbraw/zinc/07/60/14/185076014.db2.gz DZWDXICCOLYGKB-JQIJEIRASA-N 1 3 281.403 3.577 50 0 CHAAHO CC(C)[NH+]1CCC(CN2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000216175815 567947645 /nfs/dbraw/zinc/94/76/45/567947645.db2.gz RQJGGGTYABOIBA-SFHVURJKSA-N 1 3 290.426 3.693 50 0 CHAAHO C[C@H](CN1CCCC1)C[N@H+](C)C1CC(c2ccccc2)C1 ZINC000032534927 570338537 /nfs/dbraw/zinc/33/85/37/570338537.db2.gz QKNKYZKIEPSIMN-IVMQYODDSA-N 1 3 286.463 3.596 50 0 CHAAHO C[C@H](CN1CCCC1)C[N@@H+](C)C1CC(c2ccccc2)C1 ZINC000032534927 570338539 /nfs/dbraw/zinc/33/85/39/570338539.db2.gz QKNKYZKIEPSIMN-IVMQYODDSA-N 1 3 286.463 3.596 50 0 CHAAHO C[C@@H](CN(C)C1CC(c2ccccc2)C1)C[NH+]1CCCC1 ZINC000032534927 570338541 /nfs/dbraw/zinc/33/85/41/570338541.db2.gz QKNKYZKIEPSIMN-IVMQYODDSA-N 1 3 286.463 3.596 50 0 CHAAHO CC(C)CC[NH+](CCC(C)C)C[C@H]1CCCCCN1 ZINC000039706272 174171411 /nfs/dbraw/zinc/17/14/11/174171411.db2.gz FHUGWLMGVKKUOL-QGZVFWFLSA-N 1 3 268.489 3.913 50 0 CHAAHO Cc1ccc(-c2cccc(CN3CCC[C@H]([NH3+])CC3)c2)o1 ZINC000097522447 567910517 /nfs/dbraw/zinc/91/05/17/567910517.db2.gz MKWUVUJVNFAADU-KRWDZBQOSA-N 1 3 284.403 3.568 50 0 CHAAHO C1C[C@H]2C[C@@H]1[C@H](N1CCC([NH+]3CCCCCC3)CC1)C2 ZINC000004703445 170001766 /nfs/dbraw/zinc/00/17/66/170001766.db2.gz XCZBNZIWHQGJOM-LZLYRXPVSA-N 1 3 276.468 3.515 50 0 CHAAHO C1C[C@H]2C[C@@H]1[C@H]([NH+]1CCC(N3CCCCCC3)CC1)C2 ZINC000004703445 170001769 /nfs/dbraw/zinc/00/17/69/170001769.db2.gz XCZBNZIWHQGJOM-LZLYRXPVSA-N 1 3 276.468 3.515 50 0 CHAAHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000095419686 567894671 /nfs/dbraw/zinc/89/46/71/567894671.db2.gz XCPIITXBSYIGHD-CQSZACIVSA-N 1 3 286.394 3.738 50 0 CHAAHO C[C@@H](c1ccc(-c2cc(N)ccn2)cc1)[NH+]1CCCCC1 ZINC000096180395 567910019 /nfs/dbraw/zinc/91/00/19/567910019.db2.gz VRESRDYBBFEJMU-AWEZNQCLSA-N 1 3 281.403 3.878 50 0 CHAAHO CCC[NH+]1CCC(N[C@H]2CCCc3ccccc32)CC1 ZINC000000279827 528206369 /nfs/dbraw/zinc/20/63/69/528206369.db2.gz SCPUJCPRKAHUIL-SFHVURJKSA-N 1 3 272.436 3.528 50 0 CHAAHO CCC[NH+]1CCC(Nc2cc(C)nc3ccccc32)CC1 ZINC000089959038 567032088 /nfs/dbraw/zinc/03/20/88/567032088.db2.gz PSIVRIXVKXICFS-UHFFFAOYSA-N 1 3 283.419 3.830 50 0 CHAAHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000095419685 567894717 /nfs/dbraw/zinc/89/47/17/567894717.db2.gz XCPIITXBSYIGHD-AWEZNQCLSA-N 1 3 286.394 3.738 50 0 CHAAHO C/C(=C\c1ccccc1)CNC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000952960006 1132017203 /nfs/dbraw/zinc/01/72/03/1132017203.db2.gz MBAMFAQJEOBGCF-KSRMRMEDSA-N 1 3 298.474 3.944 50 0 CHAAHO C/C(=C\c1ccccc1)CNC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000952960006 1132017211 /nfs/dbraw/zinc/01/72/11/1132017211.db2.gz MBAMFAQJEOBGCF-KSRMRMEDSA-N 1 3 298.474 3.944 50 0 CHAAHO CCCC[NH+]1CCC(N[C@@H](C)CSCC(C)C)CC1 ZINC000095967519 185047158 /nfs/dbraw/zinc/04/71/58/185047158.db2.gz LWFPVPWGUVVVFX-HNNXBMFYSA-N 1 3 286.529 3.618 50 0 CHAAHO C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000170072915 567006096 /nfs/dbraw/zinc/00/60/96/567006096.db2.gz MAJADYABSVVSSL-ZMSDIMECSA-N 1 3 278.484 3.808 50 0 CHAAHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCN1CCCC1 ZINC000225532560 567953950 /nfs/dbraw/zinc/95/39/50/567953950.db2.gz XJBRBMAPYZBIQP-NVXWUHKLSA-N 1 3 272.436 3.619 50 0 CHAAHO CCCC[NH+]1CCC(N[C@H](C)CSCC(C)C)CC1 ZINC000095967520 185047061 /nfs/dbraw/zinc/04/70/61/185047061.db2.gz LWFPVPWGUVVVFX-OAHLLOKOSA-N 1 3 286.529 3.618 50 0 CHAAHO CC1CCN(C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000004723261 170005867 /nfs/dbraw/zinc/00/58/67/170005867.db2.gz IVIGFDJXCVSDLP-SJLPKXTDSA-N 1 3 278.484 3.761 50 0 CHAAHO CC1CC[NH+](C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000004723261 170005869 /nfs/dbraw/zinc/00/58/69/170005869.db2.gz IVIGFDJXCVSDLP-SJLPKXTDSA-N 1 3 278.484 3.761 50 0 CHAAHO CCC(CNCc1ccccc1)C[NH2+]Cc1ccccc1 ZINC000096319133 567910105 /nfs/dbraw/zinc/91/01/05/567910105.db2.gz LBPUDTOJZROMLF-UHFFFAOYSA-N 1 3 282.431 3.592 50 0 CHAAHO CC[C@@H]1C=CC[N@@H+]1Cc1cc(CN2CCCCC2)cs1 ZINC000952872940 1132015831 /nfs/dbraw/zinc/01/58/31/1132015831.db2.gz SABTUYIVMAORFX-MRXNPFEDSA-N 1 3 290.476 3.884 50 0 CHAAHO CC[C@@H]1C=CC[N@H+]1Cc1cc(CN2CCCCC2)cs1 ZINC000952872940 1132015837 /nfs/dbraw/zinc/01/58/37/1132015837.db2.gz SABTUYIVMAORFX-MRXNPFEDSA-N 1 3 290.476 3.884 50 0 CHAAHO CC(C)[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000035016055 566842455 /nfs/dbraw/zinc/84/24/55/566842455.db2.gz KZZMDQKXUATUBB-GOSISDBHSA-N 1 3 274.452 3.846 50 0 CHAAHO CN1CCC[C@H]1CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000000213411 567822661 /nfs/dbraw/zinc/82/26/61/567822661.db2.gz HZUKJJUBLVWOMG-GPANFISMSA-N 1 3 266.473 3.665 50 0 CHAAHO CC1CCN(C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000002735991 567849045 /nfs/dbraw/zinc/84/90/45/567849045.db2.gz PPMFODHHCLIEID-UHFFFAOYSA-N 1 3 278.484 3.906 50 0 CHAAHO CC1CC[NH+](C2CCN(C3CCCCCC3)CC2)CC1 ZINC000002735991 567849047 /nfs/dbraw/zinc/84/90/47/567849047.db2.gz PPMFODHHCLIEID-UHFFFAOYSA-N 1 3 278.484 3.906 50 0 CHAAHO CC[C@@H]1C=CCN1Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000952868188 1132016026 /nfs/dbraw/zinc/01/60/26/1132016026.db2.gz CVVZPOPUYKYPKB-OAHLLOKOSA-N 1 3 290.476 3.884 50 0 CHAAHO CC1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC000004745790 170010484 /nfs/dbraw/zinc/01/04/84/170010484.db2.gz NMGLLWUAOMJJLG-UHFFFAOYSA-N 1 3 264.457 3.515 50 0 CHAAHO CC1CCC(N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000004745790 170010486 /nfs/dbraw/zinc/01/04/86/170010486.db2.gz NMGLLWUAOMJJLG-UHFFFAOYSA-N 1 3 264.457 3.515 50 0 CHAAHO CN1CCC[C@@H]1CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000000213408 567822558 /nfs/dbraw/zinc/82/25/58/567822558.db2.gz HZUKJJUBLVWOMG-UYSNPLJNSA-N 1 3 266.473 3.665 50 0 CHAAHO C1CCN(C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000000276958 567823593 /nfs/dbraw/zinc/82/35/93/567823593.db2.gz IKDMLYPTBPIWHX-UHFFFAOYSA-N 1 3 264.457 3.660 50 0 CHAAHO C1CC[NH+](C2CCN(C3CCCCCC3)CC2)CC1 ZINC000000276958 567823594 /nfs/dbraw/zinc/82/35/94/567823594.db2.gz IKDMLYPTBPIWHX-UHFFFAOYSA-N 1 3 264.457 3.660 50 0 CHAAHO Cc1cc(NCCC[NH+]2CCCCC2)c2ccccc2n1 ZINC000089583187 566985200 /nfs/dbraw/zinc/98/52/00/566985200.db2.gz NCMKNTLGCPBCPD-UHFFFAOYSA-N 1 3 283.419 3.831 50 0 CHAAHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCN1CCCC1 ZINC000225532502 567954019 /nfs/dbraw/zinc/95/40/19/567954019.db2.gz XJBRBMAPYZBIQP-WBVHZDCISA-N 1 3 272.436 3.619 50 0 CHAAHO Cc1[nH]c2c(cccc2C[N@H+]2CCC[C@@H](N(C)C)CC2)c1C ZINC000072140037 176322743 /nfs/dbraw/zinc/32/27/43/176322743.db2.gz JZGRNHWVSLILAM-QGZVFWFLSA-N 1 3 299.462 3.701 50 0 CHAAHO Cc1[nH]c2c(cccc2C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1C ZINC000072140037 176322745 /nfs/dbraw/zinc/32/27/45/176322745.db2.gz JZGRNHWVSLILAM-QGZVFWFLSA-N 1 3 299.462 3.701 50 0 CHAAHO CC[NH+](CC)CCCNc1c2c(nc3ccccc31)CCC2 ZINC000004040288 567854898 /nfs/dbraw/zinc/85/48/98/567854898.db2.gz VDVPBZNQTQOKSK-UHFFFAOYSA-N 1 3 297.446 3.867 50 0 CHAAHO C[NH+](C)Cc1ccc([C@H]2CCCN2Cc2ccoc2)cc1 ZINC000065421097 567899195 /nfs/dbraw/zinc/89/91/95/567899195.db2.gz WFZHJHGULPCYFL-GOSISDBHSA-N 1 3 284.403 3.678 50 0 CHAAHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCN1CCCC1 ZINC000225532532 567954073 /nfs/dbraw/zinc/95/40/73/567954073.db2.gz XJBRBMAPYZBIQP-RDJZCZTQSA-N 1 3 272.436 3.619 50 0 CHAAHO CN(Cc1ccc(-c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000001227302 1129797949 /nfs/dbraw/zinc/79/79/49/1129797949.db2.gz DEZKCTSNAPXMHA-UHFFFAOYSA-N 1 3 294.442 3.880 50 0 CHAAHO C[N@H+](Cc1ccccc1)C1CCN(C2CCCC2)CC1 ZINC000004703470 170002077 /nfs/dbraw/zinc/00/20/77/170002077.db2.gz AOLQCNPPAUFXDZ-UHFFFAOYSA-N 1 3 272.436 3.525 50 0 CHAAHO C[N@@H+](Cc1ccccc1)C1CCN(C2CCCC2)CC1 ZINC000004703470 170002080 /nfs/dbraw/zinc/00/20/80/170002080.db2.gz AOLQCNPPAUFXDZ-UHFFFAOYSA-N 1 3 272.436 3.525 50 0 CHAAHO CC1CCN(C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000004723260 170006245 /nfs/dbraw/zinc/00/62/45/170006245.db2.gz IVIGFDJXCVSDLP-WMZOPIPTSA-N 1 3 278.484 3.761 50 0 CHAAHO CC1CC[NH+](C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000004723260 170006246 /nfs/dbraw/zinc/00/62/46/170006246.db2.gz IVIGFDJXCVSDLP-WMZOPIPTSA-N 1 3 278.484 3.761 50 0 CHAAHO C[C@H]1CCC[C@@H]([NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000004904180 170039000 /nfs/dbraw/zinc/03/90/00/170039000.db2.gz JXZJRVLMSAQATR-DOTOQJQBSA-N 1 3 264.457 3.515 50 0 CHAAHO C[C@H]1CCC[C@@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000004904180 170039002 /nfs/dbraw/zinc/03/90/02/170039002.db2.gz JXZJRVLMSAQATR-DOTOQJQBSA-N 1 3 264.457 3.515 50 0 CHAAHO CSc1ccccc1CN1CCC([C@@H](C)[NH+](C)C)CC1 ZINC000077454738 177270717 /nfs/dbraw/zinc/27/07/17/177270717.db2.gz FOUOTAMVTVCEIH-CQSZACIVSA-N 1 3 292.492 3.571 50 0 CHAAHO CCN(C)C[C@H]1CC[N@H+](CCCC2CCCCC2)C1 ZINC000225639082 567954360 /nfs/dbraw/zinc/95/43/60/567954360.db2.gz JGLSBAVMNQIFKS-QGZVFWFLSA-N 1 3 266.473 3.621 50 0 CHAAHO CCN(C)C[C@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000225639082 567954363 /nfs/dbraw/zinc/95/43/63/567954363.db2.gz JGLSBAVMNQIFKS-QGZVFWFLSA-N 1 3 266.473 3.621 50 0 CHAAHO CC[N@H+](C)C[C@H]1CCN(CCCC2CCCCC2)C1 ZINC000225639082 567954365 /nfs/dbraw/zinc/95/43/65/567954365.db2.gz JGLSBAVMNQIFKS-QGZVFWFLSA-N 1 3 266.473 3.621 50 0 CHAAHO CC[N@@H+](C)C[C@H]1CCN(CCCC2CCCCC2)C1 ZINC000225639082 567954367 /nfs/dbraw/zinc/95/43/67/567954367.db2.gz JGLSBAVMNQIFKS-QGZVFWFLSA-N 1 3 266.473 3.621 50 0 CHAAHO CN1CCC[C@H]1CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000000213965 1129736451 /nfs/dbraw/zinc/73/64/51/1129736451.db2.gz WNLHYHOITGLYJS-ACBHZAAOSA-N 1 3 286.463 3.787 50 0 CHAAHO Cc1cc(C)c(C[NH2+]CCCNc2ccncc2)c(C)c1 ZINC000075108035 566936497 /nfs/dbraw/zinc/93/64/97/566936497.db2.gz LSEVVMSWGDHJLO-UHFFFAOYSA-N 1 3 283.419 3.599 50 0 CHAAHO