smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1C[C@@H](C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)c(C)c1 ZINC000019570959 204657516 /nfs/dbraw/zinc/65/75/16/204657516.db2.gz MKEVKPDYDIBKFO-QGZVFWFLSA-N 2 2 397.523 3.199 40 0 GGABLP Cc1nn(C)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000036752060 205021095 /nfs/dbraw/zinc/02/10/95/205021095.db2.gz PVDRURWCKWAFKE-KRWDZBQOSA-N 2 2 394.523 3.197 40 0 GGABLP Cc1nn(C)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000036752060 205021098 /nfs/dbraw/zinc/02/10/98/205021098.db2.gz PVDRURWCKWAFKE-KRWDZBQOSA-N 2 2 394.523 3.197 40 0 GGABLP Cn1c2ccc(C[N@@H+]3CCC[C@@H](Cc4[nH]c5ccccc5[nH+]4)C3)cc2n(C)c1=O ZINC000036752835 205022052 /nfs/dbraw/zinc/02/20/52/205022052.db2.gz UNWWRFOPJGATTD-INIZCTEOSA-N 2 2 389.503 3.208 40 0 GGABLP Cn1c2ccc(C[N@H+]3CCC[C@@H](Cc4[nH]c5ccccc5[nH+]4)C3)cc2n(C)c1=O ZINC000036752835 205022054 /nfs/dbraw/zinc/02/20/54/205022054.db2.gz UNWWRFOPJGATTD-INIZCTEOSA-N 2 2 389.503 3.208 40 0 GGABLP CN(C)c1ncc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000057810609 205160359 /nfs/dbraw/zinc/16/03/59/205160359.db2.gz HMJJRMYGTWGOOX-UHFFFAOYSA-N 2 2 382.556 3.249 40 0 GGABLP CN(C)c1ncc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000057810609 205160364 /nfs/dbraw/zinc/16/03/64/205160364.db2.gz HMJJRMYGTWGOOX-UHFFFAOYSA-N 2 2 382.556 3.249 40 0 GGABLP Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc[nH+]1 ZINC000072356498 205333085 /nfs/dbraw/zinc/33/30/85/205333085.db2.gz RKMIJEOSEMNRLY-LJQANCHMSA-N 2 2 377.492 3.450 40 0 GGABLP Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc[nH+]1 ZINC000072356498 205333090 /nfs/dbraw/zinc/33/30/90/205333090.db2.gz RKMIJEOSEMNRLY-LJQANCHMSA-N 2 2 377.492 3.450 40 0 GGABLP Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)s1 ZINC000096056127 205519730 /nfs/dbraw/zinc/51/97/30/205519730.db2.gz YWFPLZZEPXPLRV-AVRDEDQJSA-N 2 2 398.576 3.258 40 0 GGABLP Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)s1 ZINC000096056127 205519736 /nfs/dbraw/zinc/51/97/36/205519736.db2.gz YWFPLZZEPXPLRV-AVRDEDQJSA-N 2 2 398.576 3.258 40 0 GGABLP FC(F)(F)c1cccc(N2CC[NH+](C3CC[NH+](C4CCOCC4)CC3)CC2)c1 ZINC000239612059 206125235 /nfs/dbraw/zinc/12/52/35/206125235.db2.gz FITRJZIJWUBFFE-UHFFFAOYSA-N 2 2 397.485 3.471 40 0 GGABLP Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(C(=O)C[NH+]4CCCCC4)C3)cn2)n1C ZINC000257283707 206173761 /nfs/dbraw/zinc/17/37/61/206173761.db2.gz OZLNCNROGQZDHP-HXUWFJFHSA-N 2 2 395.551 3.058 40 0 GGABLP Cc1ccccc1C[N@@H+](C)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(Cl)c2)[C@@H]1O ZINC000257302257 206175577 /nfs/dbraw/zinc/17/55/77/206175577.db2.gz SCDRDNUTVMIEJH-ZRNYENFQSA-N 2 2 378.875 3.127 40 0 GGABLP Cc1ccccc1C[N@H+](C)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(Cl)c2)[C@@H]1O ZINC000257302257 206175580 /nfs/dbraw/zinc/17/55/80/206175580.db2.gz SCDRDNUTVMIEJH-ZRNYENFQSA-N 2 2 378.875 3.127 40 0 GGABLP CNc1[nH+]c(C2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)c2sccn12 ZINC000257303056 206176280 /nfs/dbraw/zinc/17/62/80/206176280.db2.gz SFPRCIKDVDKVGT-UHFFFAOYSA-N 2 2 389.569 3.194 40 0 GGABLP Cc1ccccc1C[N@@H+](C)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000257256313 206167684 /nfs/dbraw/zinc/16/76/84/206167684.db2.gz KKXWDPYXWZYTBC-ZRNYENFQSA-N 2 2 394.437 3.354 40 0 GGABLP Cc1ccccc1C[N@H+](C)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000257256313 206167686 /nfs/dbraw/zinc/16/76/86/206167686.db2.gz KKXWDPYXWZYTBC-ZRNYENFQSA-N 2 2 394.437 3.354 40 0 GGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306143810 206206474 /nfs/dbraw/zinc/20/64/74/206206474.db2.gz YNHLGPJMOVEZLT-RBUKOAKNSA-N 2 2 390.487 3.267 40 0 GGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306143810 206206477 /nfs/dbraw/zinc/20/64/77/206206477.db2.gz YNHLGPJMOVEZLT-RBUKOAKNSA-N 2 2 390.487 3.267 40 0 GGABLP CCn1cc(C[N@@H+]2CC[C@]3(Cc4[nH+]cc(-c5ccccc5OC)n4C3)C2)cn1 ZINC000306126650 206197844 /nfs/dbraw/zinc/19/78/44/206197844.db2.gz FAXYSLUZHCGVJY-QFIPXVFZSA-N 2 2 377.492 3.224 40 0 GGABLP CCn1cc(C[N@H+]2CC[C@]3(Cc4[nH+]cc(-c5ccccc5OC)n4C3)C2)cn1 ZINC000306126650 206197846 /nfs/dbraw/zinc/19/78/46/206197846.db2.gz FAXYSLUZHCGVJY-QFIPXVFZSA-N 2 2 377.492 3.224 40 0 GGABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2cccnc2OC)Cc2ccccc21 ZINC000306135004 206202824 /nfs/dbraw/zinc/20/28/24/206202824.db2.gz OEHSNLZNMLNYMD-FQEVSTJZSA-N 2 2 378.476 3.081 40 0 GGABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2cccnc2OC)Cc2ccccc21 ZINC000306135004 206202828 /nfs/dbraw/zinc/20/28/28/206202828.db2.gz OEHSNLZNMLNYMD-FQEVSTJZSA-N 2 2 378.476 3.081 40 0 GGABLP Cc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[C@H]([NH+]4CCOCC4)C[C@H]23)no1 ZINC000306134127 206202941 /nfs/dbraw/zinc/20/29/41/206202941.db2.gz NEAZVQYXKWMKJJ-VABKMULXSA-N 2 2 381.520 3.380 40 0 GGABLP Cc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[C@H]([NH+]4CCOCC4)C[C@H]23)no1 ZINC000306134127 206202945 /nfs/dbraw/zinc/20/29/45/206202945.db2.gz NEAZVQYXKWMKJJ-VABKMULXSA-N 2 2 381.520 3.380 40 0 GGABLP Brc1ccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228932518 565925422 /nfs/dbraw/zinc/92/54/22/565925422.db2.gz WYOJNVXXJVNSIN-UHFFFAOYSA-N 2 2 387.285 3.125 40 0 GGABLP CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1C ZINC000019719752 570210825 /nfs/dbraw/zinc/21/08/25/570210825.db2.gz CEWVPUSGXLWUEX-QGZVFWFLSA-N 2 2 394.523 3.289 40 0 GGABLP CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1C ZINC000019719752 570210830 /nfs/dbraw/zinc/21/08/30/570210830.db2.gz CEWVPUSGXLWUEX-QGZVFWFLSA-N 2 2 394.523 3.289 40 0 GGABLP CC[C@H](C[NH+]1CCCCC1)n1c[nH+]cc1-c1cc2c(cc1C)n(C)c(=O)n2C ZINC000019719968 570210966 /nfs/dbraw/zinc/21/09/66/570210966.db2.gz BANCKLDSSQZKFZ-QGZVFWFLSA-N 2 2 381.524 3.486 40 0 GGABLP Cc1[nH+]c(-c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)c3ccccn23)cn1C(C)C ZINC000096154951 570216608 /nfs/dbraw/zinc/21/66/08/570216608.db2.gz KZPNPKQDVXTPIF-KRWDZBQOSA-N 2 2 379.508 3.468 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1F ZINC000022075778 570321537 /nfs/dbraw/zinc/32/15/37/570321537.db2.gz WWEJLOXRGAUJBC-AWEZNQCLSA-N 2 2 396.890 3.127 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022075757 570321552 /nfs/dbraw/zinc/32/15/52/570321552.db2.gz XMUNLXRJGNIONX-CQSZACIVSA-N 2 2 396.890 3.127 40 0 GGABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000022075363 570321607 /nfs/dbraw/zinc/32/16/07/570321607.db2.gz DITFPCOAHQVJEX-INIZCTEOSA-N 2 2 392.927 3.378 40 0 GGABLP O=C(C[NH2+]CCCCC[NH2+]CC(=O)OC1CCCCC1)OC1CCCCC1 ZINC000004722522 570397917 /nfs/dbraw/zinc/39/79/17/570397917.db2.gz KMEYNXPYOUPKMX-UHFFFAOYSA-N 2 2 382.545 3.088 40 0 GGABLP COc1ccc2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000004132799 570617746 /nfs/dbraw/zinc/61/77/46/570617746.db2.gz MRIKJSDRLBDZRI-UHFFFAOYSA-N 2 2 377.488 3.291 40 0 GGABLP FC(F)(F)c1ccccc1CNc1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000228935181 570951889 /nfs/dbraw/zinc/95/18/89/570951889.db2.gz RMASGOGGBDWEOL-UHFFFAOYSA-N 2 2 376.386 3.382 40 0 GGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccnc(N3CCCC3)n2)o1 ZINC000019216480 570961851 /nfs/dbraw/zinc/96/18/51/570961851.db2.gz XSVIHFFSORJPMV-UHFFFAOYSA-N 2 2 380.496 3.267 40 0 GGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccnc(N3CCCC3)n2)o1 ZINC000019216480 570961852 /nfs/dbraw/zinc/96/18/52/570961852.db2.gz XSVIHFFSORJPMV-UHFFFAOYSA-N 2 2 380.496 3.267 40 0 GGABLP CCOc1ccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)cc1Cn1cc[nH+]c1 ZINC000019533669 570999712 /nfs/dbraw/zinc/99/97/12/570999712.db2.gz PLGGUOCZRLHCDZ-QHCPKHFHSA-N 2 2 377.488 3.424 40 0 GGABLP CCOc1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)cc1Cn1cc[nH+]c1 ZINC000019533669 570999715 /nfs/dbraw/zinc/99/97/15/570999715.db2.gz PLGGUOCZRLHCDZ-QHCPKHFHSA-N 2 2 377.488 3.424 40 0 GGABLP COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1OC ZINC000019590345 571018054 /nfs/dbraw/zinc/01/80/54/571018054.db2.gz LGQBURRUOHSEJJ-LJQANCHMSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1OC ZINC000019590345 571018058 /nfs/dbraw/zinc/01/80/58/571018058.db2.gz LGQBURRUOHSEJJ-LJQANCHMSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1OC ZINC000019590345 571018059 /nfs/dbraw/zinc/01/80/59/571018059.db2.gz LGQBURRUOHSEJJ-LJQANCHMSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1OC ZINC000019590345 571018062 /nfs/dbraw/zinc/01/80/62/571018062.db2.gz LGQBURRUOHSEJJ-LJQANCHMSA-N 2 2 382.508 3.209 40 0 GGABLP Cc1ccc2[nH]c(C3CC[NH+](Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)[nH+]c2c1 ZINC000019657903 571024511 /nfs/dbraw/zinc/02/45/11/571024511.db2.gz OVRFJPQGXIMPPW-UHFFFAOYSA-N 2 2 389.503 3.441 40 0 GGABLP Cc1cc(N2CC[NH+](Cc3cnc(C(C)C)nc3)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019697956 571030497 /nfs/dbraw/zinc/03/04/97/571030497.db2.gz DJKUXBOUQUDPOY-FQEVSTJZSA-N 3 2 380.540 3.050 40 0 GGABLP CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(C[N@H+](C)Cc2cccc3ncccc23)n1 ZINC000019710021 571034046 /nfs/dbraw/zinc/03/40/46/571034046.db2.gz ABXACLNNHLWILI-QGZVFWFLSA-N 2 2 390.535 3.190 40 0 GGABLP CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(C[N@@H+](C)Cc2cccc3ncccc23)n1 ZINC000019710021 571034047 /nfs/dbraw/zinc/03/40/47/571034047.db2.gz ABXACLNNHLWILI-QGZVFWFLSA-N 2 2 390.535 3.190 40 0 GGABLP CCn1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)c(C)n1 ZINC000019715569 571037499 /nfs/dbraw/zinc/03/74/99/571037499.db2.gz RNIYKICLCANQOH-HNNXBMFYSA-N 2 2 398.486 3.120 40 0 GGABLP CCn1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)c(C)n1 ZINC000019715569 571037501 /nfs/dbraw/zinc/03/75/01/571037501.db2.gz RNIYKICLCANQOH-HNNXBMFYSA-N 2 2 398.486 3.120 40 0 GGABLP CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccoc1)CCC2 ZINC000096056075 571097995 /nfs/dbraw/zinc/09/79/95/571097995.db2.gz PRIQHHPIWVCDFD-REWPJTCUSA-N 2 2 397.519 3.260 40 0 GGABLP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccoc1)CCC2 ZINC000096056075 571097997 /nfs/dbraw/zinc/09/79/97/571097997.db2.gz PRIQHHPIWVCDFD-REWPJTCUSA-N 2 2 397.519 3.260 40 0 GGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2 ZINC000096056075 571097999 /nfs/dbraw/zinc/09/79/99/571097999.db2.gz PRIQHHPIWVCDFD-REWPJTCUSA-N 2 2 397.519 3.260 40 0 GGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096056075 571098001 /nfs/dbraw/zinc/09/80/01/571098001.db2.gz PRIQHHPIWVCDFD-REWPJTCUSA-N 2 2 397.519 3.260 40 0 GGABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096056038 571098095 /nfs/dbraw/zinc/09/80/95/571098095.db2.gz ZJEHKNVNNHJRDB-UWJYYQICSA-N 2 2 385.533 3.425 40 0 GGABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096056038 571098096 /nfs/dbraw/zinc/09/80/96/571098096.db2.gz ZJEHKNVNNHJRDB-UWJYYQICSA-N 2 2 385.533 3.425 40 0 GGABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056128 571098537 /nfs/dbraw/zinc/09/85/37/571098537.db2.gz QUODAOVJMBUNGX-CVDCTZTESA-N 2 2 396.510 3.028 40 0 GGABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056128 571098538 /nfs/dbraw/zinc/09/85/38/571098538.db2.gz QUODAOVJMBUNGX-CVDCTZTESA-N 2 2 396.510 3.028 40 0 GGABLP COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000004237281 291128334 /nfs/dbraw/zinc/12/83/34/291128334.db2.gz QMPWJDMMXRJKFY-PKOBYXMFSA-N 2 2 393.531 3.037 40 0 biogenic,in-vitro GGABLP COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000004237281 291128338 /nfs/dbraw/zinc/12/83/38/291128338.db2.gz QMPWJDMMXRJKFY-PKOBYXMFSA-N 2 2 393.531 3.037 40 0 biogenic,in-vitro GGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306143811 209107450 /nfs/dbraw/zinc/10/74/50/209107450.db2.gz YNHLGPJMOVEZLT-RTBURBONSA-N 2 2 390.487 3.267 40 0 GGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306143811 209107452 /nfs/dbraw/zinc/10/74/52/209107452.db2.gz YNHLGPJMOVEZLT-RTBURBONSA-N 2 2 390.487 3.267 40 0 GGABLP Cc1ccc(C2(C[NH+]3CCN(CC(C)(C)C[NH+]4CCOCC4)CC3)CC2)cc1 ZINC000019208403 207105743 /nfs/dbraw/zinc/10/57/43/207105743.db2.gz WPYSELMUCGDYGT-UHFFFAOYSA-N 2 2 385.596 3.003 40 0 GGABLP COCc1ccc(OC)c(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019588996 207142747 /nfs/dbraw/zinc/14/27/47/207142747.db2.gz VUNCFCVRROSGDO-NRFANRHFSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019588996 207142750 /nfs/dbraw/zinc/14/27/50/207142750.db2.gz VUNCFCVRROSGDO-NRFANRHFSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019588996 207142752 /nfs/dbraw/zinc/14/27/52/207142752.db2.gz VUNCFCVRROSGDO-NRFANRHFSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019588996 207142755 /nfs/dbraw/zinc/14/27/55/207142755.db2.gz VUNCFCVRROSGDO-NRFANRHFSA-N 2 2 396.535 3.347 40 0 GGABLP COc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590321 207142808 /nfs/dbraw/zinc/14/28/08/207142808.db2.gz XNUZLTTXRNMQHY-FQEVSTJZSA-N 2 2 382.508 3.209 40 0 GGABLP COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590321 207142811 /nfs/dbraw/zinc/14/28/11/207142811.db2.gz XNUZLTTXRNMQHY-FQEVSTJZSA-N 2 2 382.508 3.209 40 0 GGABLP COc1ccc(OC)c(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590321 207142814 /nfs/dbraw/zinc/14/28/14/207142814.db2.gz XNUZLTTXRNMQHY-FQEVSTJZSA-N 2 2 382.508 3.209 40 0 GGABLP COc1ccc(OC)c(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590321 207142817 /nfs/dbraw/zinc/14/28/17/207142817.db2.gz XNUZLTTXRNMQHY-FQEVSTJZSA-N 2 2 382.508 3.209 40 0 GGABLP COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705511 207150488 /nfs/dbraw/zinc/15/04/88/207150488.db2.gz WVDWEYUAWWLTFP-FQEVSTJZSA-N 2 2 389.503 3.394 40 0 GGABLP COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705511 207150490 /nfs/dbraw/zinc/15/04/90/207150490.db2.gz WVDWEYUAWWLTFP-FQEVSTJZSA-N 2 2 389.503 3.394 40 0 GGABLP O=C(C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019716007 207153509 /nfs/dbraw/zinc/15/35/09/207153509.db2.gz NJWULSRNOGNCJW-HNNXBMFYSA-N 2 2 399.495 3.496 40 0 GGABLP O=C(C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019716007 207153514 /nfs/dbraw/zinc/15/35/14/207153514.db2.gz NJWULSRNOGNCJW-HNNXBMFYSA-N 2 2 399.495 3.496 40 0 GGABLP CCn1cc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)c(C)n1 ZINC000019715570 207153680 /nfs/dbraw/zinc/15/36/80/207153680.db2.gz RNIYKICLCANQOH-OAHLLOKOSA-N 2 2 398.486 3.120 40 0 GGABLP CCn1cc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)c(C)n1 ZINC000019715570 207153684 /nfs/dbraw/zinc/15/36/84/207153684.db2.gz RNIYKICLCANQOH-OAHLLOKOSA-N 2 2 398.486 3.120 40 0 GGABLP Cc1cc2c(cc1-c1c[nH+]cn1C[C@@H](C)[NH+]1CCC(C)CC1)n(C)c(=O)n2C ZINC000019719939 207155909 /nfs/dbraw/zinc/15/59/09/207155909.db2.gz BJTYGYNZLQIOOI-QGZVFWFLSA-N 2 2 381.524 3.169 40 0 GGABLP CCn1cc(-c2cc(NC[C@@H](c3ccccc3Cl)[NH+](C)C)nc(N)[nH+]2)cn1 ZINC000019718022 207156279 /nfs/dbraw/zinc/15/62/79/207156279.db2.gz DSXIKZVMBRLMMQ-KRWDZBQOSA-N 2 2 385.903 3.310 40 0 GGABLP O=C(CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)NCc1[nH]cc[nH+]1 ZINC000019748861 207159301 /nfs/dbraw/zinc/15/93/01/207159301.db2.gz NSOYZSWBDNZMSW-UHFFFAOYSA-N 2 2 380.414 3.347 40 0 GGABLP CC[NH+](CC)CC(C[NH+](CC)CC)N(C)CC(=O)Nc1c(C)cccc1C ZINC000022581230 207257259 /nfs/dbraw/zinc/25/72/59/207257259.db2.gz UFTBPXLLHANBFZ-UHFFFAOYSA-N 2 2 376.589 3.226 40 0 GGABLP CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2 ZINC000096056031 208258581 /nfs/dbraw/zinc/25/85/81/208258581.db2.gz PIWHXJBDLHAFRC-UGKGYDQZSA-N 2 2 386.492 3.458 40 0 GGABLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2 ZINC000096056031 208258586 /nfs/dbraw/zinc/25/85/86/208258586.db2.gz PIWHXJBDLHAFRC-UGKGYDQZSA-N 2 2 386.492 3.458 40 0 GGABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccc(C)o1)CCC2 ZINC000096056031 208258592 /nfs/dbraw/zinc/25/85/92/208258592.db2.gz PIWHXJBDLHAFRC-UGKGYDQZSA-N 2 2 386.492 3.458 40 0 GGABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccc(C)o1)CCC2 ZINC000096056031 208258604 /nfs/dbraw/zinc/25/86/04/208258604.db2.gz PIWHXJBDLHAFRC-UGKGYDQZSA-N 2 2 386.492 3.458 40 0 GGABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccccc21 ZINC000306135729 209103812 /nfs/dbraw/zinc/10/38/12/209103812.db2.gz OZBYLBIVFLOAAV-FQEVSTJZSA-N 2 2 391.471 3.406 40 0 GGABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccccc21 ZINC000306135729 209103809 /nfs/dbraw/zinc/10/38/09/209103809.db2.gz OZBYLBIVFLOAAV-FQEVSTJZSA-N 2 2 391.471 3.406 40 0 GGABLP CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)cn1 ZINC000257254020 209062564 /nfs/dbraw/zinc/06/25/64/209062564.db2.gz KBGKSEYWFMAGNK-AVRDEDQJSA-N 2 2 381.524 3.309 40 0 GGABLP CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)cn1 ZINC000257254020 209062569 /nfs/dbraw/zinc/06/25/69/209062569.db2.gz KBGKSEYWFMAGNK-AVRDEDQJSA-N 2 2 381.524 3.309 40 0 GGABLP c1cn(-c2nc(-c3ccccc3)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)c[nH+]1 ZINC000059833525 136155814 /nfs/dbraw/zinc/15/58/14/136155814.db2.gz DDUKPCDXWZKXIU-UHFFFAOYSA-N 2 2 397.486 3.047 40 0 GGABLP Cn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+]1Cc1cccs1 ZINC000005001555 564210293 /nfs/dbraw/zinc/21/02/93/564210293.db2.gz LDASGURLOORQQU-INIZCTEOSA-N 2 2 377.583 3.402 40 0 GGABLP Cn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+]1Cc1cccs1 ZINC000005001555 564210294 /nfs/dbraw/zinc/21/02/94/564210294.db2.gz LDASGURLOORQQU-INIZCTEOSA-N 2 2 377.583 3.402 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1cccs1 ZINC000022107605 564314118 /nfs/dbraw/zinc/31/41/18/564314118.db2.gz XLYQWLLCGPISLH-CYBMUJFWSA-N 2 2 384.929 3.049 40 0 GGABLP COc1cccc(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCCC2)c1 ZINC000585262378 570230064 /nfs/dbraw/zinc/23/00/64/570230064.db2.gz DLVBSWAQQNAQEX-LWSSLDFYSA-N 2 2 396.531 3.220 40 0 GGABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccccc1Cl ZINC000022075375 570321592 /nfs/dbraw/zinc/32/15/92/570321592.db2.gz LXMPNAGKRPKNMP-MRXNPFEDSA-N 2 2 392.927 3.378 40 0 GGABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccccc1Cl ZINC000022075377 570321623 /nfs/dbraw/zinc/32/16/23/570321623.db2.gz LXMPNAGKRPKNMP-INIZCTEOSA-N 2 2 392.927 3.378 40 0 GGABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000022075633 570321789 /nfs/dbraw/zinc/32/17/89/570321789.db2.gz USEPYQGZXKYHMS-MRXNPFEDSA-N 2 2 392.927 3.378 40 0 GGABLP O=C(NCCCn1cc[nH+]c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584816 570591400 /nfs/dbraw/zinc/59/14/00/570591400.db2.gz HVZKVNSLWOGDMS-UHFFFAOYSA-N 2 2 378.879 3.094 40 0 GGABLP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@H+](Cc2ccc(F)c(F)c2)CC=CC3)CC1 ZINC000012183459 570619915 /nfs/dbraw/zinc/61/99/15/570619915.db2.gz GOFXZLIQHBWHBC-IFMALSPDSA-N 2 2 389.490 3.040 40 0 GGABLP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@@H+](Cc2ccc(F)c(F)c2)CC=CC3)CC1 ZINC000012183459 570619919 /nfs/dbraw/zinc/61/99/19/570619919.db2.gz GOFXZLIQHBWHBC-IFMALSPDSA-N 2 2 389.490 3.040 40 0 GGABLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000022025104 570777599 /nfs/dbraw/zinc/77/75/99/570777599.db2.gz AGMYPTNWJXRIAL-SFHVURJKSA-N 2 2 393.531 3.124 40 0 GGABLP COc1ccccc1/C=C/C[NH+]1CCN(c2cc(C)[nH+]c([C@H]3CC[NH2+]C3)c2)CC1 ZINC000019739039 1399337084 /nfs/dbraw/zinc/33/70/84/1399337084.db2.gz CFDAEAXBXYZQMY-XYASWCNUSA-N 3 2 392.547 3.311 40 0 GGABLP CCOCc1cc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)ccc1OC ZINC000019531175 210258826 /nfs/dbraw/zinc/25/88/26/210258826.db2.gz AWAGDLDHXNOUCF-FQEVSTJZSA-N 2 2 382.508 3.005 40 0 GGABLP CCOCc1cc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)ccc1OC ZINC000019531175 210258829 /nfs/dbraw/zinc/25/88/29/210258829.db2.gz AWAGDLDHXNOUCF-FQEVSTJZSA-N 2 2 382.508 3.005 40 0 GGABLP CCOCc1cc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)ccc1OC ZINC000019531177 210257761 /nfs/dbraw/zinc/25/77/61/210257761.db2.gz AWAGDLDHXNOUCF-HXUWFJFHSA-N 2 2 382.508 3.005 40 0 GGABLP CCOCc1cc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)ccc1OC ZINC000019531177 210257764 /nfs/dbraw/zinc/25/77/64/210257764.db2.gz AWAGDLDHXNOUCF-HXUWFJFHSA-N 2 2 382.508 3.005 40 0 GGABLP COc1ccc(CC[C@@H](C)[N@@H+]2C[C@@H](c3cn(C)c4cnccc34)[C@H]([NH3+])C2)cc1 ZINC000019455770 210251536 /nfs/dbraw/zinc/25/15/36/210251536.db2.gz QQEKXFZDMYYJRD-URZJWIJPSA-N 2 2 378.520 3.330 40 0 GGABLP COc1ccc(CC[C@@H](C)[N@H+]2C[C@@H](c3cn(C)c4cnccc34)[C@H]([NH3+])C2)cc1 ZINC000019455770 210251535 /nfs/dbraw/zinc/25/15/35/210251535.db2.gz QQEKXFZDMYYJRD-URZJWIJPSA-N 2 2 378.520 3.330 40 0 GGABLP COc1ccc(CC[C@H](C)[N@H+]2C[C@@H](c3cn(C)c4cnccc34)[C@H]([NH3+])C2)cc1 ZINC000019455772 210250102 /nfs/dbraw/zinc/25/01/02/210250102.db2.gz QQEKXFZDMYYJRD-WQTXXOFMSA-N 2 2 378.520 3.330 40 0 GGABLP COc1ccc(CC[C@H](C)[N@@H+]2C[C@@H](c3cn(C)c4cnccc34)[C@H]([NH3+])C2)cc1 ZINC000019455772 210250107 /nfs/dbraw/zinc/25/01/07/210250107.db2.gz QQEKXFZDMYYJRD-WQTXXOFMSA-N 2 2 378.520 3.330 40 0 GGABLP COCCc1ncc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461053 210249942 /nfs/dbraw/zinc/24/99/42/210249942.db2.gz ZEZSGTWITQFEGW-UHFFFAOYSA-N 2 2 397.567 3.372 40 0 GGABLP COCCc1ncc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461053 210249947 /nfs/dbraw/zinc/24/99/47/210249947.db2.gz ZEZSGTWITQFEGW-UHFFFAOYSA-N 2 2 397.567 3.372 40 0 GGABLP COc1ccc2c(c1)C[NH+](CC(C)(C)C[NH+](C)C)C[C@@]1(CCC[N@H+](C)CC1)O2 ZINC000019084989 210225865 /nfs/dbraw/zinc/22/58/65/210225865.db2.gz BKUJQPJOTLHQOT-QHCPKHFHSA-N 3 2 389.584 3.332 40 0 GGABLP COc1ccc2c(c1)C[NH+](CC(C)(C)C[NH+](C)C)C[C@@]1(CCC[N@@H+](C)CC1)O2 ZINC000019084989 210225866 /nfs/dbraw/zinc/22/58/66/210225866.db2.gz BKUJQPJOTLHQOT-QHCPKHFHSA-N 3 2 389.584 3.332 40 0 GGABLP COc1ccc2c(c1)C[N@@H+](CC(C)(C)C[NH+](C)C)C[C@@]1(CCC[NH+](C)CC1)O2 ZINC000019084989 210225870 /nfs/dbraw/zinc/22/58/70/210225870.db2.gz BKUJQPJOTLHQOT-QHCPKHFHSA-N 3 2 389.584 3.332 40 0 GGABLP COc1ccc2c(c1)C[N@H+](CC(C)(C)C[NH+](C)C)C[C@@]1(CCC[NH+](C)CC1)O2 ZINC000019084989 210225871 /nfs/dbraw/zinc/22/58/71/210225871.db2.gz BKUJQPJOTLHQOT-QHCPKHFHSA-N 3 2 389.584 3.332 40 0 GGABLP CN(C)P1(N(C)C)=NP(N(C)C)(N(C)C)=[NH+]P(N(C)C)(N(C)C)=[NH+]1 ZINC000004794949 209526378 /nfs/dbraw/zinc/52/63/78/209526378.db2.gz QHWPLUOEZFAMJC-UHFFFAOYSA-N 2 2 399.405 3.208 40 0 GGABLP CC[NH+](CC)CCN1c2ccccc2[N@@H+](CC(=O)c2ccc(OC)cc2)C1=N ZINC000032600303 209191823 /nfs/dbraw/zinc/19/18/23/209191823.db2.gz NKBJJTOKVOASSW-UHFFFAOYSA-N 2 2 380.492 3.156 40 0 GGABLP CC[NH+](CC)CCN1c2ccccc2[N@H+](CC(=O)c2ccc(OC)cc2)C1=N ZINC000032600303 209191829 /nfs/dbraw/zinc/19/18/29/209191829.db2.gz NKBJJTOKVOASSW-UHFFFAOYSA-N 2 2 380.492 3.156 40 0 GGABLP C[N@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000257239563 212009543 /nfs/dbraw/zinc/00/95/43/212009543.db2.gz HPWLCMCMUZTBDI-ZRNYENFQSA-N 2 2 394.437 3.088 40 0 GGABLP C[N@@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000257239563 212009544 /nfs/dbraw/zinc/00/95/44/212009544.db2.gz HPWLCMCMUZTBDI-ZRNYENFQSA-N 2 2 394.437 3.088 40 0 GGABLP Fc1ccc(-c2cnc3n2CC[NH2+]C32CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000096263397 211326313 /nfs/dbraw/zinc/32/63/13/211326313.db2.gz JNLVFERAWZRSNM-UHFFFAOYSA-N 2 2 377.467 3.179 40 0 GGABLP Cc1[nH+]c(-c2cc(C(=O)N3CCC[N@H+](C)CC3)c3ccccn23)cn1C(C)C ZINC000096154947 211311510 /nfs/dbraw/zinc/31/15/10/211311510.db2.gz BIWRFFLKMZEQET-UHFFFAOYSA-N 2 2 379.508 3.470 40 0 GGABLP Cc1[nH+]c(-c2cc(C(=O)N3CCC[N@@H+](C)CC3)c3ccccn23)cn1C(C)C ZINC000096154947 211311513 /nfs/dbraw/zinc/31/15/13/211311513.db2.gz BIWRFFLKMZEQET-UHFFFAOYSA-N 2 2 379.508 3.470 40 0 GGABLP Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374836 211105352 /nfs/dbraw/zinc/10/53/52/211105352.db2.gz XZSJIILBRSGIMN-SFHVURJKSA-N 2 2 394.523 3.116 40 0 GGABLP Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374836 211105360 /nfs/dbraw/zinc/10/53/60/211105360.db2.gz XZSJIILBRSGIMN-SFHVURJKSA-N 2 2 394.523 3.116 40 0 GGABLP c1ccc2[nH]c(C[NH+]3CCC4(CC3)Nc3ccccc3C3=[NH+]CCCN34)nc2c1 ZINC000072342672 211093732 /nfs/dbraw/zinc/09/37/32/211093732.db2.gz QKCHNPJIZLNNLE-UHFFFAOYSA-N 2 2 386.503 3.433 40 0 GGABLP CNc1ncccc1C[NH+]1CCC(Cc2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758923 210293495 /nfs/dbraw/zinc/29/34/95/210293495.db2.gz WRXXAFLKYKWRBT-UHFFFAOYSA-N 2 2 380.540 3.277 40 0 GGABLP CCN(CC)C(=O)C[NH+]1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758871 210292628 /nfs/dbraw/zinc/29/26/28/210292628.db2.gz JATMJKKOUIUOFW-UHFFFAOYSA-N 2 2 387.572 3.262 40 0 GGABLP CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1C ZINC000019719751 210289181 /nfs/dbraw/zinc/28/91/81/210289181.db2.gz CEWVPUSGXLWUEX-KRWDZBQOSA-N 2 2 394.523 3.289 40 0 GGABLP CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1C ZINC000019719751 210289182 /nfs/dbraw/zinc/28/91/82/210289182.db2.gz CEWVPUSGXLWUEX-KRWDZBQOSA-N 2 2 394.523 3.289 40 0 GGABLP CCn1cc(-c2cc(NC[C@H](c3ccc(F)cc3)[NH+]3CCCC3)nc(N)[nH+]2)cn1 ZINC000019718044 210289112 /nfs/dbraw/zinc/28/91/12/210289112.db2.gz ASAHZCFEYDPLJQ-LJQANCHMSA-N 2 2 395.486 3.330 40 0 GGABLP Cc1cc(N2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019697961 210282440 /nfs/dbraw/zinc/28/24/40/210282440.db2.gz TULXPBHUEDAKNK-LJQANCHMSA-N 3 2 382.556 3.157 40 0 GGABLP CC(=O)N1CCC[C@H]1c1cc(N2CC[NH+](Cc3cnc(C)s3)CC2)cc(C)[nH+]1 ZINC000019697975 210282527 /nfs/dbraw/zinc/28/25/27/210282527.db2.gz JDGNKZPXYHCHEI-NRFANRHFSA-N 2 2 399.564 3.161 40 0 GGABLP Cc1cc(N2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019697960 210282412 /nfs/dbraw/zinc/28/24/12/210282412.db2.gz TULXPBHUEDAKNK-IBGZPJMESA-N 3 2 382.556 3.157 40 0 GGABLP COCc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590319 210273478 /nfs/dbraw/zinc/27/34/78/210273478.db2.gz DBWLLXGQBPQNDK-NRFANRHFSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590319 210273482 /nfs/dbraw/zinc/27/34/82/210273482.db2.gz DBWLLXGQBPQNDK-NRFANRHFSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590319 210273487 /nfs/dbraw/zinc/27/34/87/210273487.db2.gz DBWLLXGQBPQNDK-NRFANRHFSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590319 210273490 /nfs/dbraw/zinc/27/34/90/210273490.db2.gz DBWLLXGQBPQNDK-NRFANRHFSA-N 2 2 396.535 3.347 40 0 GGABLP COc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1OC ZINC000019590347 210273388 /nfs/dbraw/zinc/27/33/88/210273388.db2.gz LGQBURRUOHSEJJ-IBGZPJMESA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1OC ZINC000019590347 210273390 /nfs/dbraw/zinc/27/33/90/210273390.db2.gz LGQBURRUOHSEJJ-IBGZPJMESA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1OC ZINC000019590347 210273393 /nfs/dbraw/zinc/27/33/93/210273393.db2.gz LGQBURRUOHSEJJ-IBGZPJMESA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1OC ZINC000019590347 210273396 /nfs/dbraw/zinc/27/33/96/210273396.db2.gz LGQBURRUOHSEJJ-IBGZPJMESA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)cc(OC)c1 ZINC000019590316 210272585 /nfs/dbraw/zinc/27/25/85/210272585.db2.gz ZCKQYRLANNGTEY-OAQYLSRUSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)cc(OC)c1 ZINC000019590316 210272590 /nfs/dbraw/zinc/27/25/90/210272590.db2.gz ZCKQYRLANNGTEY-OAQYLSRUSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc(OC)c1 ZINC000019590316 210272593 /nfs/dbraw/zinc/27/25/93/210272593.db2.gz ZCKQYRLANNGTEY-OAQYLSRUSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc(OC)c1 ZINC000019590316 210272599 /nfs/dbraw/zinc/27/25/99/210272599.db2.gz ZCKQYRLANNGTEY-OAQYLSRUSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)cc(OC)c1 ZINC000019590317 210272661 /nfs/dbraw/zinc/27/26/61/210272661.db2.gz ZCKQYRLANNGTEY-NRFANRHFSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)cc(OC)c1 ZINC000019590317 210272665 /nfs/dbraw/zinc/27/26/65/210272665.db2.gz ZCKQYRLANNGTEY-NRFANRHFSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc(OC)c1 ZINC000019590317 210272669 /nfs/dbraw/zinc/27/26/69/210272669.db2.gz ZCKQYRLANNGTEY-NRFANRHFSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc(OC)c1 ZINC000019590317 210272674 /nfs/dbraw/zinc/27/26/74/210272674.db2.gz ZCKQYRLANNGTEY-NRFANRHFSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc(OC)c1 ZINC000019588992 210271658 /nfs/dbraw/zinc/27/16/58/210271658.db2.gz JGJOHQHJYKGJRZ-NRFANRHFSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc(OC)c1 ZINC000019588992 210271659 /nfs/dbraw/zinc/27/16/59/210271659.db2.gz JGJOHQHJYKGJRZ-NRFANRHFSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc(OC)c1 ZINC000019588992 210271661 /nfs/dbraw/zinc/27/16/61/210271661.db2.gz JGJOHQHJYKGJRZ-NRFANRHFSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc(OC)c1 ZINC000019588992 210271662 /nfs/dbraw/zinc/27/16/62/210271662.db2.gz JGJOHQHJYKGJRZ-NRFANRHFSA-N 2 2 382.508 3.209 40 0 GGABLP COCc1ccc(OC)c(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019588998 210271712 /nfs/dbraw/zinc/27/17/12/210271712.db2.gz VUNCFCVRROSGDO-OAQYLSRUSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019588998 210271714 /nfs/dbraw/zinc/27/17/14/210271714.db2.gz VUNCFCVRROSGDO-OAQYLSRUSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019588998 210271715 /nfs/dbraw/zinc/27/17/15/210271715.db2.gz VUNCFCVRROSGDO-OAQYLSRUSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019588998 210271717 /nfs/dbraw/zinc/27/17/17/210271717.db2.gz VUNCFCVRROSGDO-OAQYLSRUSA-N 2 2 396.535 3.347 40 0 GGABLP COc1ccc(C[N@@H+]2Cc3ccccc3OC[C@@H]2Cn2cc[nH+]c2)c(OC)c1 ZINC000012128381 221155649 /nfs/dbraw/zinc/15/56/49/221155649.db2.gz WPTRDUGGWGCQKS-IBGZPJMESA-N 2 2 379.460 3.364 40 0 GGABLP COc1ccc(C[N@H+]2Cc3ccccc3OC[C@@H]2Cn2cc[nH+]c2)c(OC)c1 ZINC000012128381 221155651 /nfs/dbraw/zinc/15/56/51/221155651.db2.gz WPTRDUGGWGCQKS-IBGZPJMESA-N 2 2 379.460 3.364 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1cccs1 ZINC000022107609 564314210 /nfs/dbraw/zinc/31/42/10/564314210.db2.gz XLYQWLLCGPISLH-ZDUSSCGKSA-N 2 2 384.929 3.049 40 0 GGABLP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccccc1F ZINC000022075705 570305211 /nfs/dbraw/zinc/30/52/11/570305211.db2.gz PFHLSROCQOLNEF-UHFFFAOYSA-N 2 2 396.890 3.128 40 0 GGABLP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022075678 570305317 /nfs/dbraw/zinc/30/53/17/570305317.db2.gz RXFBZXZLNCFGHA-UHFFFAOYSA-N 2 2 396.890 3.128 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(F)cc1Cl ZINC000022074834 570321208 /nfs/dbraw/zinc/32/12/08/570321208.db2.gz QHQWADSSUGXKTR-CQSZACIVSA-N 2 2 396.890 3.127 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1F ZINC000022075776 570321561 /nfs/dbraw/zinc/32/15/61/570321561.db2.gz WWEJLOXRGAUJBC-CQSZACIVSA-N 2 2 396.890 3.127 40 0 GGABLP CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CC[NH+]3CCCC3)cc21 ZINC000022916071 570335254 /nfs/dbraw/zinc/33/52/54/570335254.db2.gz VBTJWGMPMINBPR-UHFFFAOYSA-N 2 2 393.535 3.197 40 0 GGABLP O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000224758216 570529390 /nfs/dbraw/zinc/52/93/90/570529390.db2.gz HYDBWRXRRUWRNY-UHFFFAOYSA-N 2 2 393.531 3.045 40 0 GGABLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038831654 570584698 /nfs/dbraw/zinc/58/46/98/570584698.db2.gz NRSPIVLRNQTNAA-UHFFFAOYSA-N 2 2 393.531 3.045 40 0 GGABLP CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCC[NH+](CC)CC)C1 ZINC000004911911 570648332 /nfs/dbraw/zinc/64/83/32/570648332.db2.gz INAXTGJNOCJVBA-SFHVURJKSA-N 2 2 385.556 3.121 40 0 GGABLP CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCC[NH+](CC)CC)C1 ZINC000004911916 570648485 /nfs/dbraw/zinc/64/84/85/570648485.db2.gz INAXTGJNOCJVBA-GOSISDBHSA-N 2 2 385.556 3.121 40 0 GGABLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000025697057 570951291 /nfs/dbraw/zinc/95/12/91/570951291.db2.gz FFZRVYORVYQARI-QGZVFWFLSA-N 2 2 378.476 3.420 40 0 GGABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000067870740 291129658 /nfs/dbraw/zinc/12/96/58/291129658.db2.gz MVDNTCKVTXVYBA-JENIJYKNSA-N 2 2 395.469 3.241 40 0 biogenic,in-vitro GGABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000067870740 291129659 /nfs/dbraw/zinc/12/96/59/291129659.db2.gz MVDNTCKVTXVYBA-JENIJYKNSA-N 2 2 395.469 3.241 40 0 biogenic,in-vitro GGABLP CCOc1c(Br)cc(Br)cc1C[NH2+]CCC[NH2+]C ZINC000008253308 221032982 /nfs/dbraw/zinc/03/29/82/221032982.db2.gz TYGDBPDOEUQVLQ-UHFFFAOYSA-N 2 2 380.124 3.309 40 0 GGABLP Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc[nH+]1 ZINC000072356497 222239920 /nfs/dbraw/zinc/23/99/20/222239920.db2.gz RKMIJEOSEMNRLY-IBGZPJMESA-N 2 2 377.492 3.450 40 0 GGABLP Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc[nH+]1 ZINC000072356497 222239924 /nfs/dbraw/zinc/23/99/24/222239924.db2.gz RKMIJEOSEMNRLY-IBGZPJMESA-N 2 2 377.492 3.450 40 0 GGABLP Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374835 222241812 /nfs/dbraw/zinc/24/18/12/222241812.db2.gz XZSJIILBRSGIMN-GOSISDBHSA-N 2 2 394.523 3.116 40 0 GGABLP Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374835 222241817 /nfs/dbraw/zinc/24/18/17/222241817.db2.gz XZSJIILBRSGIMN-GOSISDBHSA-N 2 2 394.523 3.116 40 0 GGABLP CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096056073 222377138 /nfs/dbraw/zinc/37/71/38/222377138.db2.gz OOYSZPJYHZFBAV-CVDCTZTESA-N 2 2 397.519 3.260 40 0 GGABLP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096056073 222377142 /nfs/dbraw/zinc/37/71/42/222377142.db2.gz OOYSZPJYHZFBAV-CVDCTZTESA-N 2 2 397.519 3.260 40 0 GGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccco1)CCC2 ZINC000096056073 222377143 /nfs/dbraw/zinc/37/71/43/222377143.db2.gz OOYSZPJYHZFBAV-CVDCTZTESA-N 2 2 397.519 3.260 40 0 GGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096056073 222377146 /nfs/dbraw/zinc/37/71/46/222377146.db2.gz OOYSZPJYHZFBAV-CVDCTZTESA-N 2 2 397.519 3.260 40 0 GGABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)CC1 ZINC000049155488 560083902 /nfs/dbraw/zinc/08/39/02/560083902.db2.gz SECPMXVBZDZHIQ-FQEVSTJZSA-N 2 2 390.491 3.425 40 0 biogenic,in-vitro GGABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)CC1 ZINC000049155488 560083903 /nfs/dbraw/zinc/08/39/03/560083903.db2.gz SECPMXVBZDZHIQ-FQEVSTJZSA-N 2 2 390.491 3.425 40 0 biogenic,in-vitro GGABLP C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c(O)c(C[NH+]3CCSCC3)coc1=O)C2 ZINC000101363127 570249709 /nfs/dbraw/zinc/24/97/09/570249709.db2.gz JXBIULDEWRYAKA-KKSFZXQISA-N 2 2 392.565 3.295 40 0 GGABLP C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c(O)c(C[NH+]3CCSCC3)coc1=O)C2 ZINC000101363127 570249711 /nfs/dbraw/zinc/24/97/11/570249711.db2.gz JXBIULDEWRYAKA-KKSFZXQISA-N 2 2 392.565 3.295 40 0 GGABLP COc1ccc2[nH]c(=O)c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000004132798 570617857 /nfs/dbraw/zinc/61/78/57/570617857.db2.gz BBQDUFHVGYDWPS-UHFFFAOYSA-N 2 2 377.488 3.291 40 0 GGABLP C[NH+](C)CCC[NH2+]Cc1cc2c([nH]c1=O)n(-c1ccc(F)cc1)nc2C(C)(C)C ZINC000057810351 570703848 /nfs/dbraw/zinc/70/38/48/570703848.db2.gz BLTGWJMPDSWEEO-UHFFFAOYSA-N 2 2 399.514 3.192 40 0 GGABLP C[NH+](C)CCC[NH2+]Cc1cc2c([nH]c1=O)n(-c1ccccc1)nc2C(C)(C)C ZINC000057810326 570703927 /nfs/dbraw/zinc/70/39/27/570703927.db2.gz XHEUZNJVFAVWJX-UHFFFAOYSA-N 2 2 381.524 3.053 40 0 GGABLP COCCNC(=O)C[N@@H+]1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257275968 570774396 /nfs/dbraw/zinc/77/43/96/570774396.db2.gz NRUIWICYTCBMAU-IBGZPJMESA-N 2 2 396.535 3.384 40 0 GGABLP COCCNC(=O)C[N@H+]1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257275968 570774398 /nfs/dbraw/zinc/77/43/98/570774398.db2.gz NRUIWICYTCBMAU-IBGZPJMESA-N 2 2 396.535 3.384 40 0 GGABLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000022025103 570777863 /nfs/dbraw/zinc/77/78/63/570777863.db2.gz AGMYPTNWJXRIAL-GOSISDBHSA-N 2 2 393.531 3.124 40 0 GGABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccccc21 ZINC000306135730 570942185 /nfs/dbraw/zinc/94/21/85/570942185.db2.gz OZBYLBIVFLOAAV-HXUWFJFHSA-N 2 2 391.471 3.406 40 0 GGABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccccc21 ZINC000306135730 570942186 /nfs/dbraw/zinc/94/21/86/570942186.db2.gz OZBYLBIVFLOAAV-HXUWFJFHSA-N 2 2 391.471 3.406 40 0 GGABLP CN(C)c1ncc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461055 570988760 /nfs/dbraw/zinc/98/87/60/570988760.db2.gz DNIITFQKSZYICO-UHFFFAOYSA-N 2 2 382.556 3.249 40 0 GGABLP CN(C)c1ncc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461055 570988762 /nfs/dbraw/zinc/98/87/62/570988762.db2.gz DNIITFQKSZYICO-UHFFFAOYSA-N 2 2 382.556 3.249 40 0 GGABLP COCCOc1cccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019589026 571016261 /nfs/dbraw/zinc/01/62/61/571016261.db2.gz XKASXVXWMYEZFT-JOCHJYFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019589026 571016263 /nfs/dbraw/zinc/01/62/63/571016263.db2.gz XKASXVXWMYEZFT-JOCHJYFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019589026 571016264 /nfs/dbraw/zinc/01/62/64/571016264.db2.gz XKASXVXWMYEZFT-JOCHJYFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019589026 571016266 /nfs/dbraw/zinc/01/62/66/571016266.db2.gz XKASXVXWMYEZFT-JOCHJYFZSA-N 2 2 396.535 3.217 40 0 GGABLP COc1cc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc(OC)c1 ZINC000019588994 571016486 /nfs/dbraw/zinc/01/64/86/571016486.db2.gz JGJOHQHJYKGJRZ-OAQYLSRUSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc(OC)c1 ZINC000019588994 571016491 /nfs/dbraw/zinc/01/64/91/571016491.db2.gz JGJOHQHJYKGJRZ-OAQYLSRUSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc(OC)c1 ZINC000019588994 571016493 /nfs/dbraw/zinc/01/64/93/571016493.db2.gz JGJOHQHJYKGJRZ-OAQYLSRUSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc(OC)c1 ZINC000019588994 571016497 /nfs/dbraw/zinc/01/64/97/571016497.db2.gz JGJOHQHJYKGJRZ-OAQYLSRUSA-N 2 2 382.508 3.209 40 0 GGABLP COCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590340 571016883 /nfs/dbraw/zinc/01/68/83/571016883.db2.gz UOSPEUMGZRWXES-JOCHJYFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590340 571016885 /nfs/dbraw/zinc/01/68/85/571016885.db2.gz UOSPEUMGZRWXES-JOCHJYFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590340 571016886 /nfs/dbraw/zinc/01/68/86/571016886.db2.gz UOSPEUMGZRWXES-JOCHJYFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590340 571016888 /nfs/dbraw/zinc/01/68/88/571016888.db2.gz UOSPEUMGZRWXES-JOCHJYFZSA-N 2 2 396.535 3.217 40 0 GGABLP Cc1cc(N2CC[NH+](Cc3cnc(C(C)C)nc3)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019697957 571030385 /nfs/dbraw/zinc/03/03/85/571030385.db2.gz DJKUXBOUQUDPOY-HXUWFJFHSA-N 3 2 380.540 3.050 40 0 GGABLP CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(C[N@H+](C)Cc2cccc3ncccc23)n1 ZINC000019710022 571033960 /nfs/dbraw/zinc/03/39/60/571033960.db2.gz ABXACLNNHLWILI-KRWDZBQOSA-N 2 2 390.535 3.190 40 0 GGABLP CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(C[N@@H+](C)Cc2cccc3ncccc23)n1 ZINC000019710022 571033962 /nfs/dbraw/zinc/03/39/62/571033962.db2.gz ABXACLNNHLWILI-KRWDZBQOSA-N 2 2 390.535 3.190 40 0 GGABLP CCn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)nc(N)[nH+]2)cn1 ZINC000019718045 571041309 /nfs/dbraw/zinc/04/13/09/571041309.db2.gz ASAHZCFEYDPLJQ-IBGZPJMESA-N 2 2 395.486 3.330 40 0 GGABLP CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000226076142 1433368313 /nfs/dbraw/zinc/36/83/13/1433368313.db2.gz ZPNBZNXYIFYHMC-YPAWHYETSA-N 2 2 383.923 3.381 40 0 GGABLP CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000226076142 1433368315 /nfs/dbraw/zinc/36/83/15/1433368315.db2.gz ZPNBZNXYIFYHMC-YPAWHYETSA-N 2 2 383.923 3.381 40 0 GGABLP Cc1cc(N2CC[NH+](C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC2)nc(C(C)C)[nH+]1 ZINC000012330408 204399516 /nfs/dbraw/zinc/39/95/16/204399516.db2.gz NOMFZMPLSWOCNL-HXUWFJFHSA-N 2 2 397.498 3.384 40 0 GGABLP Cn1c2ccc(C[N@H+](CCCn3cc[nH+]c3)C[C@@H]3CC=CCC3)cc2n(C)c1=O ZINC000036740237 205022409 /nfs/dbraw/zinc/02/24/09/205022409.db2.gz XSGQSVVNAKDIKY-LJQANCHMSA-N 2 2 393.535 3.322 40 0 GGABLP Cn1c2ccc(C[N@@H+](CCCn3cc[nH+]c3)C[C@@H]3CC=CCC3)cc2n(C)c1=O ZINC000036740237 205022414 /nfs/dbraw/zinc/02/24/14/205022414.db2.gz XSGQSVVNAKDIKY-LJQANCHMSA-N 2 2 393.535 3.322 40 0 GGABLP Cc1ccc(-n2cc(C[NH+]3CCC(Cc4cc(N)nc(C)[nH+]4)CC3)cn2)cc1 ZINC000072352110 205332334 /nfs/dbraw/zinc/33/23/34/205332334.db2.gz ONOVYSNGARPUQK-UHFFFAOYSA-N 2 2 376.508 3.316 40 0 GGABLP c1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)cc(OC2CCCC2)c1 ZINC000072372128 205335252 /nfs/dbraw/zinc/33/52/52/205335252.db2.gz PWYWSNSOYPQDEA-GOSISDBHSA-N 2 2 381.524 3.082 40 0 GGABLP c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)cc(OC2CCCC2)c1 ZINC000072372128 205335255 /nfs/dbraw/zinc/33/52/55/205335255.db2.gz PWYWSNSOYPQDEA-GOSISDBHSA-N 2 2 381.524 3.082 40 0 GGABLP C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc(C[N@H+]3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151528 206039298 /nfs/dbraw/zinc/03/92/98/206039298.db2.gz FVESPSCPWAUTHL-WTGUMLROSA-N 2 2 384.572 3.347 40 0 GGABLP C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151528 206039302 /nfs/dbraw/zinc/03/93/02/206039302.db2.gz FVESPSCPWAUTHL-WTGUMLROSA-N 2 2 384.572 3.347 40 0 GGABLP C[C@@H]1C[C@H](C)C[NH+](Cc2nnc(C[N@H+]3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151567 206039566 /nfs/dbraw/zinc/03/95/66/206039566.db2.gz FVESPSCPWAUTHL-FGYAAKKASA-N 2 2 384.572 3.347 40 0 GGABLP C[C@@H]1C[C@H](C)C[NH+](Cc2nnc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151567 206039570 /nfs/dbraw/zinc/03/95/70/206039570.db2.gz FVESPSCPWAUTHL-FGYAAKKASA-N 2 2 384.572 3.347 40 0 GGABLP Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(C(=O)C[NH+]4CCCCC4)C3)cn2)n1C ZINC000257283706 206173552 /nfs/dbraw/zinc/17/35/52/206173552.db2.gz OZLNCNROGQZDHP-FQEVSTJZSA-N 2 2 395.551 3.058 40 0 GGABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@H+](Cc3cccnc3OC)C1)C2 ZINC000306132239 206201558 /nfs/dbraw/zinc/20/15/58/206201558.db2.gz LCPHKAVFOCOFBR-HSZRJFAPSA-N 2 2 390.487 3.411 40 0 GGABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@@H+](Cc3cccnc3OC)C1)C2 ZINC000306132239 206201562 /nfs/dbraw/zinc/20/15/62/206201562.db2.gz LCPHKAVFOCOFBR-HSZRJFAPSA-N 2 2 390.487 3.411 40 0 GGABLP O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004926339 136194357 /nfs/dbraw/zinc/19/43/57/136194357.db2.gz ISHBIIRPGVVPAC-UHFFFAOYSA-N 2 2 392.547 3.433 40 0 GGABLP Cc1cc2c(cc1-c1c[nH+]cn1C[C@H](C)[NH+]1CCC(C)CC1)n(C)c(=O)n2C ZINC000019719938 570210802 /nfs/dbraw/zinc/21/08/02/570210802.db2.gz BJTYGYNZLQIOOI-KRWDZBQOSA-N 2 2 381.524 3.169 40 0 GGABLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000048332928 570237140 /nfs/dbraw/zinc/23/71/40/570237140.db2.gz NBVHEYSLFBXYID-FQEVSTJZSA-N 2 2 382.895 3.411 40 0 GGABLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000048332928 570237145 /nfs/dbraw/zinc/23/71/45/570237145.db2.gz NBVHEYSLFBXYID-FQEVSTJZSA-N 2 2 382.895 3.411 40 0 GGABLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000048332927 570237188 /nfs/dbraw/zinc/23/71/88/570237188.db2.gz NBVHEYSLFBXYID-HXUWFJFHSA-N 2 2 382.895 3.411 40 0 GGABLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000048332927 570237189 /nfs/dbraw/zinc/23/71/89/570237189.db2.gz NBVHEYSLFBXYID-HXUWFJFHSA-N 2 2 382.895 3.411 40 0 GGABLP Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000585272895 570241320 /nfs/dbraw/zinc/24/13/20/570241320.db2.gz NIFKXEOXZXCPEP-QHCPKHFHSA-N 2 2 398.547 3.007 40 0 GGABLP Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000585272895 570241322 /nfs/dbraw/zinc/24/13/22/570241322.db2.gz NIFKXEOXZXCPEP-QHCPKHFHSA-N 2 2 398.547 3.007 40 0 GGABLP Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000585272890 570241624 /nfs/dbraw/zinc/24/16/24/570241624.db2.gz NIFKXEOXZXCPEP-HSZRJFAPSA-N 2 2 398.547 3.007 40 0 GGABLP Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000585272890 570241630 /nfs/dbraw/zinc/24/16/30/570241630.db2.gz NIFKXEOXZXCPEP-HSZRJFAPSA-N 2 2 398.547 3.007 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccccc1Cl ZINC000022075740 570305327 /nfs/dbraw/zinc/30/53/27/570305327.db2.gz AXRVAZZLUOGFIJ-UHFFFAOYSA-N 2 2 399.318 3.253 40 0 GGABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000022075361 570321741 /nfs/dbraw/zinc/32/17/41/570321741.db2.gz DITFPCOAHQVJEX-MRXNPFEDSA-N 2 2 392.927 3.378 40 0 GGABLP Cc1nc2cc([C@@H]3CC[N@H+](CC(C)(C)C[NH+]4CCCCC4)C3)[nH]n2c(=O)c1C ZINC000012745627 570708360 /nfs/dbraw/zinc/70/83/60/570708360.db2.gz ODJHUILWONQHSY-GOSISDBHSA-N 2 2 385.556 3.353 40 0 GGABLP Cc1nc2cc([C@@H]3CC[N@@H+](CC(C)(C)C[NH+]4CCCCC4)C3)[nH]n2c(=O)c1C ZINC000012745627 570708366 /nfs/dbraw/zinc/70/83/66/570708366.db2.gz ODJHUILWONQHSY-GOSISDBHSA-N 2 2 385.556 3.353 40 0 GGABLP CNc1cc(C[N@H+](C)Cc2cc3c(cc2OC)CCCC3)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759962 570887644 /nfs/dbraw/zinc/88/76/44/570887644.db2.gz CVHCLHKZOKMWND-HXUWFJFHSA-N 2 2 395.551 3.462 40 0 GGABLP CNc1cc(C[N@@H+](C)Cc2cc3c(cc2OC)CCCC3)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759962 570887646 /nfs/dbraw/zinc/88/76/46/570887646.db2.gz CVHCLHKZOKMWND-HXUWFJFHSA-N 2 2 395.551 3.462 40 0 GGABLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000025697060 570951361 /nfs/dbraw/zinc/95/13/61/570951361.db2.gz FFZRVYORVYQARI-KRWDZBQOSA-N 2 2 378.476 3.420 40 0 GGABLP COc1ccc2c(c1)C[NH+](CC(C)(C)C[NH+](C)C)C[C@]1(CCC[N@H+](C)CC1)O2 ZINC000019084987 570956658 /nfs/dbraw/zinc/95/66/58/570956658.db2.gz BKUJQPJOTLHQOT-HSZRJFAPSA-N 3 2 389.584 3.332 40 0 GGABLP COc1ccc2c(c1)C[NH+](CC(C)(C)C[NH+](C)C)C[C@]1(CCC[N@@H+](C)CC1)O2 ZINC000019084987 570956661 /nfs/dbraw/zinc/95/66/61/570956661.db2.gz BKUJQPJOTLHQOT-HSZRJFAPSA-N 3 2 389.584 3.332 40 0 GGABLP COc1ccc2c(c1)C[N@@H+](CC(C)(C)C[NH+](C)C)C[C@]1(CCC[NH+](C)CC1)O2 ZINC000019084987 570956663 /nfs/dbraw/zinc/95/66/63/570956663.db2.gz BKUJQPJOTLHQOT-HSZRJFAPSA-N 3 2 389.584 3.332 40 0 GGABLP COc1ccc2c(c1)C[N@H+](CC(C)(C)C[NH+](C)C)C[C@]1(CCC[NH+](C)CC1)O2 ZINC000019084987 570956664 /nfs/dbraw/zinc/95/66/64/570956664.db2.gz BKUJQPJOTLHQOT-HSZRJFAPSA-N 3 2 389.584 3.332 40 0 GGABLP FC(F)(F)c1[nH]c2ncccc2c1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000019345121 570977555 /nfs/dbraw/zinc/97/75/55/570977555.db2.gz BCLXCQIYBTXANW-CQSZACIVSA-N 2 2 382.430 3.126 40 0 GGABLP FC(F)(F)c1[nH]c2ncccc2c1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000019345121 570977559 /nfs/dbraw/zinc/97/75/59/570977559.db2.gz BCLXCQIYBTXANW-CQSZACIVSA-N 2 2 382.430 3.126 40 0 GGABLP O=C(C[NH+]1CCC(Oc2ccccc2F)CC1)Nc1ccccc1-n1cc[nH+]c1 ZINC000019349998 570979145 /nfs/dbraw/zinc/97/91/45/570979145.db2.gz LEAILAHVNVHDRR-UHFFFAOYSA-N 2 2 394.450 3.493 40 0 GGABLP CCOc1ccc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)cc1Cn1cc[nH+]c1 ZINC000019533671 570999521 /nfs/dbraw/zinc/99/95/21/570999521.db2.gz PLGGUOCZRLHCDZ-HSZRJFAPSA-N 2 2 377.488 3.424 40 0 GGABLP CCOc1ccc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)cc1Cn1cc[nH+]c1 ZINC000019533671 570999527 /nfs/dbraw/zinc/99/95/27/570999527.db2.gz PLGGUOCZRLHCDZ-HSZRJFAPSA-N 2 2 377.488 3.424 40 0 GGABLP COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705510 571031500 /nfs/dbraw/zinc/03/15/00/571031500.db2.gz WVDWEYUAWWLTFP-HXUWFJFHSA-N 2 2 389.503 3.394 40 0 GGABLP COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705510 571031502 /nfs/dbraw/zinc/03/15/02/571031502.db2.gz WVDWEYUAWWLTFP-HXUWFJFHSA-N 2 2 389.503 3.394 40 0 GGABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccc(C)o1)CCC2 ZINC000096056043 571098018 /nfs/dbraw/zinc/09/80/18/571098018.db2.gz NEVDMGFACRCLHJ-AVRDEDQJSA-N 2 2 383.492 3.265 40 0 GGABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccc(C)o1)CCC2 ZINC000096056043 571098020 /nfs/dbraw/zinc/09/80/20/571098020.db2.gz NEVDMGFACRCLHJ-AVRDEDQJSA-N 2 2 383.492 3.265 40 0 GGABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096056040 571098129 /nfs/dbraw/zinc/09/81/29/571098129.db2.gz CRWZLBKLDHUPAG-RXVVDRJESA-N 2 2 385.533 3.425 40 0 GGABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096056040 571098132 /nfs/dbraw/zinc/09/81/32/571098132.db2.gz CRWZLBKLDHUPAG-RXVVDRJESA-N 2 2 385.533 3.425 40 0 GGABLP Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](C2CC[NH+](C)CC2)C1 ZINC000020503222 575369675 /nfs/dbraw/zinc/36/96/75/575369675.db2.gz KMJGMLXBMTZOAS-RBUKOAKNSA-N 2 2 377.532 3.337 40 0 biogenic,in-vitro GGABLP Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000020503222 575369679 /nfs/dbraw/zinc/36/96/79/575369679.db2.gz KMJGMLXBMTZOAS-RBUKOAKNSA-N 2 2 377.532 3.337 40 0 biogenic,in-vitro GGABLP COc1cc(C)ccc1C[NH+]1CCN(c2cc(C)[nH+]c([C@H]3CC[NH2+]C3)c2)CC1 ZINC000019739037 1399337318 /nfs/dbraw/zinc/33/73/18/1399337318.db2.gz UJAVHRYOPHYDLX-IBGZPJMESA-N 3 2 380.536 3.106 40 0 GGABLP COc1cc(C)ccc1CN1CCN(c2cc(C)[nH+]c([C@H]3CC[NH2+]C3)c2)CC1 ZINC000019739037 1399337325 /nfs/dbraw/zinc/33/73/25/1399337325.db2.gz UJAVHRYOPHYDLX-IBGZPJMESA-N 2 2 380.536 3.106 40 0 GGABLP COc1cc(C)ccc1C[NH+]1CCN(c2cc(C)[nH+]c([C@@H]3CC[NH2+]C3)c2)CC1 ZINC000019739036 1399337466 /nfs/dbraw/zinc/33/74/66/1399337466.db2.gz UJAVHRYOPHYDLX-LJQANCHMSA-N 3 2 380.536 3.106 40 0 GGABLP COc1cc(C)ccc1CN1CCN(c2cc(C)[nH+]c([C@@H]3CC[NH2+]C3)c2)CC1 ZINC000019739036 1399337469 /nfs/dbraw/zinc/33/74/69/1399337469.db2.gz UJAVHRYOPHYDLX-LJQANCHMSA-N 2 2 380.536 3.106 40 0 GGABLP Cc1nc2c(c(N3CC[NH+]4CCCC[C@H]4C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000247959759 1433759384 /nfs/dbraw/zinc/75/93/84/1433759384.db2.gz NUCZEQRVZYDIQK-FQEVSTJZSA-N 2 2 377.536 3.018 40 0 GGABLP Cc1nc2c(c(N3CC[NH+]4CCCC[C@H]4C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000247959759 1433759385 /nfs/dbraw/zinc/75/93/85/1433759385.db2.gz NUCZEQRVZYDIQK-FQEVSTJZSA-N 2 2 377.536 3.018 40 0 GGABLP Cc1nc2c(c(N3CC[N@@H+]4CCCC[C@H]4C3)n1)C[NH+](Cc1ccccc1)CC2 ZINC000247959759 1433759386 /nfs/dbraw/zinc/75/93/86/1433759386.db2.gz NUCZEQRVZYDIQK-FQEVSTJZSA-N 2 2 377.536 3.018 40 0 GGABLP Cc1nc2c(c(N3CC[N@H+]4CCCC[C@H]4C3)n1)C[NH+](Cc1ccccc1)CC2 ZINC000247959759 1433759387 /nfs/dbraw/zinc/75/93/87/1433759387.db2.gz NUCZEQRVZYDIQK-FQEVSTJZSA-N 2 2 377.536 3.018 40 0 GGABLP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019287711 207112853 /nfs/dbraw/zinc/11/28/53/207112853.db2.gz GRTFZNDGBILJCO-DYESRHJHSA-N 2 2 386.515 3.336 40 0 GGABLP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019287711 207112857 /nfs/dbraw/zinc/11/28/57/207112857.db2.gz GRTFZNDGBILJCO-DYESRHJHSA-N 2 2 386.515 3.336 40 0 GGABLP Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000019286680 207112869 /nfs/dbraw/zinc/11/28/69/207112869.db2.gz RFJLACDFRWLOSO-KRWDZBQOSA-N 2 2 392.503 3.054 40 0 GGABLP Cc1[nH+]ccn1C[C@H](C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)c(C)c1 ZINC000019570956 207135503 /nfs/dbraw/zinc/13/55/03/207135503.db2.gz MKEVKPDYDIBKFO-KRWDZBQOSA-N 2 2 397.523 3.199 40 0 GGABLP CNc1cc([C@@H]2CCC[NH2+]C2)nc(C[N@H+](C)CCCOc2ccccc2F)n1 ZINC000019710031 207152168 /nfs/dbraw/zinc/15/21/68/207152168.db2.gz FWJZZSFISNKJPY-MRXNPFEDSA-N 2 2 387.503 3.025 40 0 GGABLP CNc1cc([C@@H]2CCC[NH2+]C2)nc(C[N@@H+](C)CCCOc2ccccc2F)n1 ZINC000019710031 207152172 /nfs/dbraw/zinc/15/21/72/207152172.db2.gz FWJZZSFISNKJPY-MRXNPFEDSA-N 2 2 387.503 3.025 40 0 GGABLP c1cc(OC2CCCC2)ccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710793 207152689 /nfs/dbraw/zinc/15/26/89/207152689.db2.gz IUJVKXWORTZBHH-HXUWFJFHSA-N 2 2 381.524 3.082 40 0 GGABLP c1cc(OC2CCCC2)ccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710793 207152693 /nfs/dbraw/zinc/15/26/93/207152693.db2.gz IUJVKXWORTZBHH-HXUWFJFHSA-N 2 2 381.524 3.082 40 0 GGABLP CCn1cc(-c2cc(NC[C@H](c3ccccc3Cl)[NH+](C)C)nc(N)[nH+]2)cn1 ZINC000019718021 207155371 /nfs/dbraw/zinc/15/53/71/207155371.db2.gz DSXIKZVMBRLMMQ-QGZVFWFLSA-N 2 2 385.903 3.310 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1c(Cl)cccc1Cl ZINC000022074893 207246908 /nfs/dbraw/zinc/24/69/08/207246908.db2.gz OEQZOTLXWHCZTK-UHFFFAOYSA-N 2 2 399.318 3.253 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022074898 207247205 /nfs/dbraw/zinc/24/72/05/207247205.db2.gz JOMZXFVHOOHEKS-UHFFFAOYSA-N 2 2 399.318 3.253 40 0 GGABLP Cn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)[NH+]3CCCCC3)nc(N)[nH+]2)cn1 ZINC000072373205 208010267 /nfs/dbraw/zinc/01/02/67/208010267.db2.gz SLTXBEYOXAAIPF-IBGZPJMESA-N 2 2 395.486 3.238 40 0 GGABLP c1ccc(-c2c(C[NH+]3CCOCC3)c3ccccn3c2C[NH+]2CCOCC2)cc1 ZINC000096305919 208303830 /nfs/dbraw/zinc/30/38/30/208303830.db2.gz STLYIVCIKLUWQJ-UHFFFAOYSA-N 2 2 391.515 3.271 40 0 GGABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@@H+](Cc3cccnc3OC)C1)C2 ZINC000306132240 209102631 /nfs/dbraw/zinc/10/26/31/209102631.db2.gz LCPHKAVFOCOFBR-QHCPKHFHSA-N 2 2 390.487 3.411 40 0 GGABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@H+](Cc3cccnc3OC)C1)C2 ZINC000306132240 209102628 /nfs/dbraw/zinc/10/26/28/209102628.db2.gz LCPHKAVFOCOFBR-QHCPKHFHSA-N 2 2 390.487 3.411 40 0 GGABLP FC(F)(F)c1cccc(N2CC[NH+](C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000245015241 209027718 /nfs/dbraw/zinc/02/77/18/209027718.db2.gz LSPICOMOFJBWKG-FQEVSTJZSA-N 2 2 397.485 3.471 40 0 GGABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](Cc3ccc(OC)cc3)CC2)cs1 ZINC000225462612 560043405 /nfs/dbraw/zinc/04/34/05/560043405.db2.gz BGIDYJQPDUZOLE-UHFFFAOYSA-N 2 2 389.565 3.477 40 0 biogenic,in-vitro GGABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](CCC(C)C)CC2)cs1 ZINC000225422971 560043597 /nfs/dbraw/zinc/04/35/97/560043597.db2.gz OWIHOIKYKIZYSI-QGZVFWFLSA-N 2 2 381.586 3.083 40 0 biogenic,in-vitro GGABLP COc1c(Br)cc(Br)cc1C[NH2+]CCC[NH+](C)C ZINC000057901340 564677551 /nfs/dbraw/zinc/67/75/51/564677551.db2.gz CCTGSXZUNPRQSX-UHFFFAOYSA-N 2 2 380.124 3.262 40 0 GGABLP Brc1cccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228924073 565925534 /nfs/dbraw/zinc/92/55/34/565925534.db2.gz KMEUVJNMZXZNBO-UHFFFAOYSA-N 2 2 387.285 3.125 40 0 GGABLP CC(=O)Nc1cccc(NC(=O)CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2[NH3+])c1 ZINC000585261617 570228477 /nfs/dbraw/zinc/22/84/77/570228477.db2.gz NETGZEFGPWHNHB-KNQAVFIVSA-N 2 2 394.519 3.213 40 0 GGABLP CC(=O)Nc1cccc(NC(=O)CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2[NH3+])c1 ZINC000585261617 570228481 /nfs/dbraw/zinc/22/84/81/570228481.db2.gz NETGZEFGPWHNHB-KNQAVFIVSA-N 2 2 394.519 3.213 40 0 GGABLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038831645 570584735 /nfs/dbraw/zinc/58/47/35/570584735.db2.gz ULCPGIAXWCSDDP-UHFFFAOYSA-N 2 2 393.531 3.045 40 0 GGABLP C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc(C[NH+]3C[C@H](C)C[C@@H](C)C3)n2-n2cccc2)C1 ZINC000260571964 570919846 /nfs/dbraw/zinc/91/98/46/570919846.db2.gz FVESPSCPWAUTHL-UAFMIMERSA-N 2 2 384.572 3.347 40 0 GGABLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000109041222 570995855 /nfs/dbraw/zinc/99/58/55/570995855.db2.gz IIWWBAUJOUJHHZ-AZUAARDMSA-N 2 2 383.540 3.463 40 0 GGABLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000109041222 570995859 /nfs/dbraw/zinc/99/58/59/570995859.db2.gz IIWWBAUJOUJHHZ-AZUAARDMSA-N 2 2 383.540 3.463 40 0 GGABLP COc1ccccc1/C=C/C[NH+]1CCN(c2cc(C)[nH+]c([C@@H]3CC[NH2+]C3)c2)CC1 ZINC000019739038 1399337426 /nfs/dbraw/zinc/33/74/26/1399337426.db2.gz CFDAEAXBXYZQMY-GZNAHNRGSA-N 3 2 392.547 3.311 40 0 GGABLP CC(=O)N(C)C1CCC2(CC1)C[N@H+](Cc1[nH]c[nH+]c1C)Cc1ccccc1O2 ZINC000019577040 210267420 /nfs/dbraw/zinc/26/74/20/210267420.db2.gz QRQANCYVQGADHG-UHFFFAOYSA-N 2 2 382.508 3.272 40 0 GGABLP CC(=O)N(C)C1CCC2(CC1)C[N@@H+](Cc1[nH]c[nH+]c1C)Cc1ccccc1O2 ZINC000019577040 210267426 /nfs/dbraw/zinc/26/74/26/210267426.db2.gz QRQANCYVQGADHG-UHFFFAOYSA-N 2 2 382.508 3.272 40 0 GGABLP Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000019286682 210236885 /nfs/dbraw/zinc/23/68/85/210236885.db2.gz RFJLACDFRWLOSO-QGZVFWFLSA-N 2 2 392.503 3.054 40 0 GGABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000008635584 291129653 /nfs/dbraw/zinc/12/96/53/291129653.db2.gz SGNQDVJRDGBDAL-OEMFJLHTSA-N 2 2 389.543 3.185 40 0 biogenic,in-vitro GGABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000008635584 291129654 /nfs/dbraw/zinc/12/96/54/291129654.db2.gz SGNQDVJRDGBDAL-OEMFJLHTSA-N 2 2 389.543 3.185 40 0 biogenic,in-vitro GGABLP O=C(NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000008635584 291129655 /nfs/dbraw/zinc/12/96/55/291129655.db2.gz SGNQDVJRDGBDAL-OEMFJLHTSA-N 2 2 389.543 3.185 40 0 biogenic,in-vitro GGABLP O=C(NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000008635584 291129656 /nfs/dbraw/zinc/12/96/56/291129656.db2.gz SGNQDVJRDGBDAL-OEMFJLHTSA-N 2 2 389.543 3.185 40 0 biogenic,in-vitro GGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306143808 212055542 /nfs/dbraw/zinc/05/55/42/212055542.db2.gz YNHLGPJMOVEZLT-MOPGFXCFSA-N 2 2 390.487 3.267 40 0 GGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306143808 212055544 /nfs/dbraw/zinc/05/55/44/212055544.db2.gz YNHLGPJMOVEZLT-MOPGFXCFSA-N 2 2 390.487 3.267 40 0 GGABLP Cc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[C@H]([NH+]4CCOCC4)C[C@@H]23)no1 ZINC000306134130 212051069 /nfs/dbraw/zinc/05/10/69/212051069.db2.gz NEAZVQYXKWMKJJ-ZRBLBEILSA-N 2 2 381.520 3.380 40 0 GGABLP Cc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[C@H]([NH+]4CCOCC4)C[C@@H]23)no1 ZINC000306134130 212051072 /nfs/dbraw/zinc/05/10/72/212051072.db2.gz NEAZVQYXKWMKJJ-ZRBLBEILSA-N 2 2 381.520 3.380 40 0 GGABLP Cc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[C@@H]([NH+]4CCOCC4)C[C@@H]23)no1 ZINC000306134129 212050567 /nfs/dbraw/zinc/05/05/67/212050567.db2.gz NEAZVQYXKWMKJJ-ZLNRFVROSA-N 2 2 381.520 3.380 40 0 GGABLP Cc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[C@@H]([NH+]4CCOCC4)C[C@@H]23)no1 ZINC000306134129 212050571 /nfs/dbraw/zinc/05/05/71/212050571.db2.gz NEAZVQYXKWMKJJ-ZLNRFVROSA-N 2 2 381.520 3.380 40 0 GGABLP C[NH+]1CC2(C1)C[N@H+](Cc1ccco1)C[C@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137904 212053899 /nfs/dbraw/zinc/05/38/99/212053899.db2.gz RJTOLNPUUHYWQH-OAQYLSRUSA-N 2 2 399.560 3.401 40 0 GGABLP C[NH+]1CC2(C1)C[N@@H+](Cc1ccco1)C[C@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137904 212053903 /nfs/dbraw/zinc/05/39/03/212053903.db2.gz RJTOLNPUUHYWQH-OAQYLSRUSA-N 2 2 399.560 3.401 40 0 GGABLP C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)Cn1cc[nH+]c1 ZINC000257310043 212022731 /nfs/dbraw/zinc/02/27/31/212022731.db2.gz UDLLZGWFDFKZSC-KHYDEXNFSA-N 2 2 378.520 3.016 40 0 GGABLP COCCNC(=O)C[N@@H+]1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257275969 212017076 /nfs/dbraw/zinc/01/70/76/212017076.db2.gz NRUIWICYTCBMAU-LJQANCHMSA-N 2 2 396.535 3.384 40 0 GGABLP COCCNC(=O)C[N@H+]1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257275969 212017079 /nfs/dbraw/zinc/01/70/79/212017079.db2.gz NRUIWICYTCBMAU-LJQANCHMSA-N 2 2 396.535 3.384 40 0 GGABLP C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000257219700 212005516 /nfs/dbraw/zinc/00/55/16/212005516.db2.gz DHUBBVDUJLHHCQ-YRXWBPOGSA-N 2 2 380.410 3.045 40 0 GGABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000257219700 212005521 /nfs/dbraw/zinc/00/55/21/212005521.db2.gz DHUBBVDUJLHHCQ-YRXWBPOGSA-N 2 2 380.410 3.045 40 0 GGABLP Cn1cc(-c2cc(NC[C@H](c3ccc(F)cc3)[NH+]3CCCCC3)nc(N)[nH+]2)cn1 ZINC000072373206 211103165 /nfs/dbraw/zinc/10/31/65/211103165.db2.gz SLTXBEYOXAAIPF-LJQANCHMSA-N 2 2 395.486 3.238 40 0 GGABLP c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)cc(OC2CCCC2)c1 ZINC000072372127 211102156 /nfs/dbraw/zinc/10/21/56/211102156.db2.gz PWYWSNSOYPQDEA-SFHVURJKSA-N 2 2 381.524 3.082 40 0 GGABLP c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)cc(OC2CCCC2)c1 ZINC000072372127 211102157 /nfs/dbraw/zinc/10/21/57/211102157.db2.gz PWYWSNSOYPQDEA-SFHVURJKSA-N 2 2 381.524 3.082 40 0 GGABLP c1cc(C[N@@H+]2CCC[C@@H]2c2nnc3n2CC[NH2+]CC3)cc(OC2CCCC2)c1 ZINC000019710795 210286486 /nfs/dbraw/zinc/28/64/86/210286486.db2.gz FWWBSKQACUBGPI-HXUWFJFHSA-N 2 2 381.524 3.082 40 0 GGABLP c1cc(C[N@H+]2CCC[C@@H]2c2nnc3n2CC[NH2+]CC3)cc(OC2CCCC2)c1 ZINC000019710795 210286490 /nfs/dbraw/zinc/28/64/90/210286490.db2.gz FWWBSKQACUBGPI-HXUWFJFHSA-N 2 2 381.524 3.082 40 0 GGABLP c1cc(OC2CCCC2)ccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710794 210286513 /nfs/dbraw/zinc/28/65/13/210286513.db2.gz IUJVKXWORTZBHH-FQEVSTJZSA-N 2 2 381.524 3.082 40 0 GGABLP c1cc(OC2CCCC2)ccc1C[N@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710794 210286515 /nfs/dbraw/zinc/28/65/15/210286515.db2.gz IUJVKXWORTZBHH-FQEVSTJZSA-N 2 2 381.524 3.082 40 0 GGABLP CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC(C)C)c2)n1 ZINC000019760591 210296297 /nfs/dbraw/zinc/29/62/97/210296297.db2.gz ODAUTZITRZSKAH-SFHVURJKSA-N 2 2 399.539 3.371 40 0 GGABLP CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(OC(C)C)c2)n1 ZINC000019760591 210296301 /nfs/dbraw/zinc/29/63/01/210296301.db2.gz ODAUTZITRZSKAH-SFHVURJKSA-N 2 2 399.539 3.371 40 0 GGABLP CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC(C)C)c2)n1 ZINC000019760593 210295738 /nfs/dbraw/zinc/29/57/38/210295738.db2.gz ODAUTZITRZSKAH-GOSISDBHSA-N 2 2 399.539 3.371 40 0 GGABLP CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(OC(C)C)c2)n1 ZINC000019760593 210295742 /nfs/dbraw/zinc/29/57/42/210295742.db2.gz ODAUTZITRZSKAH-GOSISDBHSA-N 2 2 399.539 3.371 40 0 GGABLP CC[C@@H](C[NH+]1CCCCC1)n1c[nH+]cc1-c1cc2c(cc1C)n(C)c(=O)n2C ZINC000019719967 210289022 /nfs/dbraw/zinc/28/90/22/210289022.db2.gz BANCKLDSSQZKFZ-KRWDZBQOSA-N 2 2 381.524 3.486 40 0 GGABLP c1cc(C[N@@H+]2CCC[C@H]2c2nnc3n2CC[NH2+]CC3)cc(OC2CCCC2)c1 ZINC000019710796 210286819 /nfs/dbraw/zinc/28/68/19/210286819.db2.gz FWWBSKQACUBGPI-FQEVSTJZSA-N 2 2 381.524 3.082 40 0 GGABLP c1cc(C[N@H+]2CCC[C@H]2c2nnc3n2CC[NH2+]CC3)cc(OC2CCCC2)c1 ZINC000019710796 210286825 /nfs/dbraw/zinc/28/68/25/210286825.db2.gz FWWBSKQACUBGPI-FQEVSTJZSA-N 2 2 381.524 3.082 40 0 GGABLP COCc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590318 210273443 /nfs/dbraw/zinc/27/34/43/210273443.db2.gz DBWLLXGQBPQNDK-OAQYLSRUSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590318 210273447 /nfs/dbraw/zinc/27/34/47/210273447.db2.gz DBWLLXGQBPQNDK-OAQYLSRUSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590318 210273451 /nfs/dbraw/zinc/27/34/51/210273451.db2.gz DBWLLXGQBPQNDK-OAQYLSRUSA-N 2 2 396.535 3.347 40 0 GGABLP COCc1ccc(OC)c(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590318 210273455 /nfs/dbraw/zinc/27/34/55/210273455.db2.gz DBWLLXGQBPQNDK-OAQYLSRUSA-N 2 2 396.535 3.347 40 0 GGABLP COCCOc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019589024 210273281 /nfs/dbraw/zinc/27/32/81/210273281.db2.gz XKASXVXWMYEZFT-QFIPXVFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019589024 210273285 /nfs/dbraw/zinc/27/32/85/210273285.db2.gz XKASXVXWMYEZFT-QFIPXVFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019589024 210273287 /nfs/dbraw/zinc/27/32/87/210273287.db2.gz XKASXVXWMYEZFT-QFIPXVFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019589024 210273290 /nfs/dbraw/zinc/27/32/90/210273290.db2.gz XKASXVXWMYEZFT-QFIPXVFZSA-N 2 2 396.535 3.217 40 0 GGABLP COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590320 210272857 /nfs/dbraw/zinc/27/28/57/210272857.db2.gz XNUZLTTXRNMQHY-HXUWFJFHSA-N 2 2 382.508 3.209 40 0 GGABLP COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590320 210272887 /nfs/dbraw/zinc/27/28/87/210272887.db2.gz XNUZLTTXRNMQHY-HXUWFJFHSA-N 2 2 382.508 3.209 40 0 GGABLP COc1ccc(OC)c(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590320 210272890 /nfs/dbraw/zinc/27/28/90/210272890.db2.gz XNUZLTTXRNMQHY-HXUWFJFHSA-N 2 2 382.508 3.209 40 0 GGABLP COc1ccc(OC)c(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590320 210272894 /nfs/dbraw/zinc/27/28/94/210272894.db2.gz XNUZLTTXRNMQHY-HXUWFJFHSA-N 2 2 382.508 3.209 40 0 GGABLP Cc1nc2c(c(N3CC[NH+]4CCCC[C@@H]4C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183371 221162978 /nfs/dbraw/zinc/16/29/78/221162978.db2.gz NUCZEQRVZYDIQK-HXUWFJFHSA-N 2 2 377.536 3.018 40 0 GGABLP Cc1nc2c(c(N3CC[NH+]4CCCC[C@@H]4C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183371 221162980 /nfs/dbraw/zinc/16/29/80/221162980.db2.gz NUCZEQRVZYDIQK-HXUWFJFHSA-N 2 2 377.536 3.018 40 0 GGABLP Cc1nc2c(c(N3CC[N@@H+]4CCCC[C@@H]4C3)n1)C[NH+](Cc1ccccc1)CC2 ZINC000012183371 221162981 /nfs/dbraw/zinc/16/29/81/221162981.db2.gz NUCZEQRVZYDIQK-HXUWFJFHSA-N 2 2 377.536 3.018 40 0 GGABLP Cc1nc2c(c(N3CC[N@H+]4CCCC[C@@H]4C3)n1)C[NH+](Cc1ccccc1)CC2 ZINC000012183371 221162983 /nfs/dbraw/zinc/16/29/83/221162983.db2.gz NUCZEQRVZYDIQK-HXUWFJFHSA-N 2 2 377.536 3.018 40 0 GGABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](Cc3ccccc3OC)CC2)cs1 ZINC000225421134 560043526 /nfs/dbraw/zinc/04/35/26/560043526.db2.gz IODRAZVIEBGRAQ-UHFFFAOYSA-N 2 2 389.565 3.477 40 0 biogenic,in-vitro GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccc(F)cc1Cl ZINC000022074836 570321325 /nfs/dbraw/zinc/32/13/25/570321325.db2.gz QHQWADSSUGXKTR-AWEZNQCLSA-N 2 2 396.890 3.127 40 0 GGABLP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCCc1ccccc1 ZINC000007540053 570507941 /nfs/dbraw/zinc/50/79/41/570507941.db2.gz GRZSTZGMXFXMME-UHFFFAOYSA-N 2 2 384.520 3.129 40 0 GGABLP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000008254623 570526198 /nfs/dbraw/zinc/52/61/98/570526198.db2.gz LIPAVJUSGRKZMG-UHFFFAOYSA-N 2 2 384.520 3.476 40 0 GGABLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnc(C[NH+]3C[C@@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151605 570552403 /nfs/dbraw/zinc/55/24/03/570552403.db2.gz FVESPSCPWAUTHL-LWYYNNOASA-N 2 2 384.572 3.347 40 0 GGABLP C[C@@H]1C[C@H](C)C[N@H+](Cc2nnc(C[NH+]3C[C@@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151605 570552406 /nfs/dbraw/zinc/55/24/06/570552406.db2.gz FVESPSCPWAUTHL-LWYYNNOASA-N 2 2 384.572 3.347 40 0 GGABLP Cc1nn(C)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000036752057 570569760 /nfs/dbraw/zinc/56/97/60/570569760.db2.gz PVDRURWCKWAFKE-QGZVFWFLSA-N 2 2 394.523 3.197 40 0 GGABLP Cc1nn(C)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000036752057 570569767 /nfs/dbraw/zinc/56/97/67/570569767.db2.gz PVDRURWCKWAFKE-QGZVFWFLSA-N 2 2 394.523 3.197 40 0 GGABLP Cc1cc(N2CC[NH+](C[C@H](O)c3c[nH]c4ccc(F)cc43)CC2)nc(C(C)C)[nH+]1 ZINC000012330411 570644729 /nfs/dbraw/zinc/64/47/29/570644729.db2.gz NOMFZMPLSWOCNL-FQEVSTJZSA-N 2 2 397.498 3.384 40 0 GGABLP Cc1nc2cc([C@H]3CC[N@H+](CC(C)(C)C[NH+]4CCCCC4)C3)[nH]n2c(=O)c1C ZINC000012745647 570708037 /nfs/dbraw/zinc/70/80/37/570708037.db2.gz ODJHUILWONQHSY-SFHVURJKSA-N 2 2 385.556 3.353 40 0 GGABLP Cc1nc2cc([C@H]3CC[N@@H+](CC(C)(C)C[NH+]4CCCCC4)C3)[nH]n2c(=O)c1C ZINC000012745647 570708038 /nfs/dbraw/zinc/70/80/38/570708038.db2.gz ODJHUILWONQHSY-SFHVURJKSA-N 2 2 385.556 3.353 40 0 GGABLP CNc1cc(C[N@H+](C)Cc2cc3c(cc2OC)CCCC3)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759959 570887774 /nfs/dbraw/zinc/88/77/74/570887774.db2.gz CVHCLHKZOKMWND-FQEVSTJZSA-N 2 2 395.551 3.462 40 0 GGABLP CNc1cc(C[N@@H+](C)Cc2cc3c(cc2OC)CCCC3)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759959 570887776 /nfs/dbraw/zinc/88/77/76/570887776.db2.gz CVHCLHKZOKMWND-FQEVSTJZSA-N 2 2 395.551 3.462 40 0 GGABLP FC(F)(F)c1ccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228922938 570951480 /nfs/dbraw/zinc/95/14/80/570951480.db2.gz LTRCZKRAJKIEGZ-UHFFFAOYSA-N 2 2 376.386 3.382 40 0 GGABLP FC(F)(F)c1cccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228977428 570952036 /nfs/dbraw/zinc/95/20/36/570952036.db2.gz KGSZVIVIZNHWHD-UHFFFAOYSA-N 2 2 376.386 3.382 40 0 GGABLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000045232543 570988835 /nfs/dbraw/zinc/98/88/35/570988835.db2.gz IIWWBAUJOUJHHZ-QUCCMNQESA-N 2 2 383.540 3.463 40 0 GGABLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000045232543 570988840 /nfs/dbraw/zinc/98/88/40/570988840.db2.gz IIWWBAUJOUJHHZ-QUCCMNQESA-N 2 2 383.540 3.463 40 0 GGABLP FC(F)(F)c1cccc(N2CC[NH+](C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000245015242 1433453400 /nfs/dbraw/zinc/45/34/00/1433453400.db2.gz LSPICOMOFJBWKG-HXUWFJFHSA-N 2 2 397.485 3.471 40 0 GGABLP COc1ccc(C[N@@H+]2Cc3ccccc3OC[C@H]2Cn2cc[nH+]c2)c(OC)c1 ZINC000012128390 221156614 /nfs/dbraw/zinc/15/66/14/221156614.db2.gz WPTRDUGGWGCQKS-LJQANCHMSA-N 2 2 379.460 3.364 40 0 GGABLP COc1ccc(C[N@H+]2Cc3ccccc3OC[C@H]2Cn2cc[nH+]c2)c(OC)c1 ZINC000012128390 221156617 /nfs/dbraw/zinc/15/66/17/221156617.db2.gz WPTRDUGGWGCQKS-LJQANCHMSA-N 2 2 379.460 3.364 40 0 GGABLP C[N@H+](Cc1cc(CC2([NH2+]Cc3ccccc3)COC2)no1)Cc1ccccc1 ZINC000067898097 222167883 /nfs/dbraw/zinc/16/78/83/222167883.db2.gz DCJINJSYWVDVSU-UHFFFAOYSA-N 2 2 377.488 3.408 40 0 biogenic,in-vitro GGABLP C[N@@H+](Cc1cc(CC2([NH2+]Cc3ccccc3)COC2)no1)Cc1ccccc1 ZINC000067898097 222167886 /nfs/dbraw/zinc/16/78/86/222167886.db2.gz DCJINJSYWVDVSU-UHFFFAOYSA-N 2 2 377.488 3.408 40 0 biogenic,in-vitro GGABLP CSc1ncc(C[N@@H+]2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)cn1 ZINC000072394191 222250778 /nfs/dbraw/zinc/25/07/78/222250778.db2.gz CODJQBZECNWUMA-UHFFFAOYSA-N 2 2 384.549 3.366 40 0 GGABLP CSc1ncc(C[N@H+]2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)cn1 ZINC000072394191 222250783 /nfs/dbraw/zinc/25/07/83/222250783.db2.gz CODJQBZECNWUMA-UHFFFAOYSA-N 2 2 384.549 3.366 40 0 GGABLP Cc1[nH+]c(-c2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c3ccccn23)cn1C(C)C ZINC000096154952 222393824 /nfs/dbraw/zinc/39/38/24/222393824.db2.gz KZPNPKQDVXTPIF-QGZVFWFLSA-N 2 2 379.508 3.468 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1c(F)cccc1Cl ZINC000022074840 533876365 /nfs/dbraw/zinc/87/63/65/533876365.db2.gz LMCLQCQRKBPSQC-AWEZNQCLSA-N 2 2 396.890 3.127 40 0 GGABLP OC1(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC[NH+](CC2CC2)CC1 ZINC000225474147 560043237 /nfs/dbraw/zinc/04/32/37/560043237.db2.gz YTYUDVOXXAHCNS-UHFFFAOYSA-N 2 2 383.561 3.395 40 0 biogenic,in-vitro GGABLP OC1(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC[NH+](CC2CC2)CC1 ZINC000225474147 560043238 /nfs/dbraw/zinc/04/32/38/560043238.db2.gz YTYUDVOXXAHCNS-UHFFFAOYSA-N 2 2 383.561 3.395 40 0 biogenic,in-vitro GGABLP Cn1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+]1Cc1cccs1 ZINC000005001556 564210301 /nfs/dbraw/zinc/21/03/01/564210301.db2.gz LDASGURLOORQQU-MRXNPFEDSA-N 2 2 377.583 3.402 40 0 GGABLP Cn1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+]1Cc1cccs1 ZINC000005001556 564210303 /nfs/dbraw/zinc/21/03/03/564210303.db2.gz LDASGURLOORQQU-MRXNPFEDSA-N 2 2 377.583 3.402 40 0 GGABLP CCc1c(C)nc2cc([C@@H]3CC[N@H+](CC(C)(C)C[NH+]4CCCC4)C3)[nH]n2c1=O ZINC000100766997 570277303 /nfs/dbraw/zinc/27/73/03/570277303.db2.gz HOJKFEVEHRSIRM-QGZVFWFLSA-N 2 2 385.556 3.217 40 0 GGABLP CCc1c(C)nc2cc([C@@H]3CC[N@@H+](CC(C)(C)C[NH+]4CCCC4)C3)[nH]n2c1=O ZINC000100766997 570277309 /nfs/dbraw/zinc/27/73/09/570277309.db2.gz HOJKFEVEHRSIRM-QGZVFWFLSA-N 2 2 385.556 3.217 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075121 570305194 /nfs/dbraw/zinc/30/51/94/570305194.db2.gz MNZSCNMPOQYVFW-UHFFFAOYSA-N 2 2 399.318 3.253 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075727 570305219 /nfs/dbraw/zinc/30/52/19/570305219.db2.gz KJYLOJUCKWTQQI-UHFFFAOYSA-N 2 2 399.318 3.253 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1c(F)cccc1Cl ZINC000022074838 570321394 /nfs/dbraw/zinc/32/13/94/570321394.db2.gz LMCLQCQRKBPSQC-CQSZACIVSA-N 2 2 396.890 3.127 40 0 GGABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022075759 570321568 /nfs/dbraw/zinc/32/15/68/570321568.db2.gz XMUNLXRJGNIONX-AWEZNQCLSA-N 2 2 396.890 3.127 40 0 GGABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000022075635 570321746 /nfs/dbraw/zinc/32/17/46/570321746.db2.gz USEPYQGZXKYHMS-INIZCTEOSA-N 2 2 392.927 3.378 40 0 GGABLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000030944717 570501916 /nfs/dbraw/zinc/50/19/16/570501916.db2.gz VLTGZZWUCJRRGP-QPJJXVBHSA-N 2 2 386.499 3.403 40 0 GGABLP Cc1ccc(C)n1-n1c(CN2CCC[C@@H](C)C2)nnc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000225151376 570552360 /nfs/dbraw/zinc/55/23/60/570552360.db2.gz YAKXJULGGVPWMB-QZTJIDSGSA-N 2 2 384.572 3.472 40 0 GGABLP Cc1ccc(C)n1-n1c(CN2CCC[C@@H](C)C2)nnc1C[N@H+]1CCC[C@@H](C)C1 ZINC000225151376 570552364 /nfs/dbraw/zinc/55/23/64/570552364.db2.gz YAKXJULGGVPWMB-QZTJIDSGSA-N 2 2 384.572 3.472 40 0 GGABLP Cc1ccc(C)n1-n1c(C[NH+]2CCC[C@@H](C)C2)nnc1C[N@H+]1CCC[C@@H](C)C1 ZINC000225151376 570552366 /nfs/dbraw/zinc/55/23/66/570552366.db2.gz YAKXJULGGVPWMB-QZTJIDSGSA-N 2 2 384.572 3.472 40 0 GGABLP Cc1ccc(C)n1-n1c(C[NH+]2CCC[C@@H](C)C2)nnc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000225151376 570552369 /nfs/dbraw/zinc/55/23/69/570552369.db2.gz YAKXJULGGVPWMB-QZTJIDSGSA-N 2 2 384.572 3.472 40 0 GGABLP Cn1c2ccc(C[N@H+](CCCn3cc[nH+]c3)C[C@H]3CC=CCC3)cc2n(C)c1=O ZINC000036740236 570568648 /nfs/dbraw/zinc/56/86/48/570568648.db2.gz XSGQSVVNAKDIKY-IBGZPJMESA-N 2 2 393.535 3.322 40 0 GGABLP Cn1c2ccc(C[N@@H+](CCCn3cc[nH+]c3)C[C@H]3CC=CCC3)cc2n(C)c1=O ZINC000036740236 570568649 /nfs/dbraw/zinc/56/86/49/570568649.db2.gz XSGQSVVNAKDIKY-IBGZPJMESA-N 2 2 393.535 3.322 40 0 GGABLP Cn1c2ccc(C[N@@H+]3CCC[C@H](Cc4[nH]c5ccccc5[nH+]4)C3)cc2n(C)c1=O ZINC000036752832 570569993 /nfs/dbraw/zinc/56/99/93/570569993.db2.gz UNWWRFOPJGATTD-MRXNPFEDSA-N 2 2 389.503 3.208 40 0 GGABLP Cn1c2ccc(C[N@H+]3CCC[C@H](Cc4[nH]c5ccccc5[nH+]4)C3)cc2n(C)c1=O ZINC000036752832 570569994 /nfs/dbraw/zinc/56/99/94/570569994.db2.gz UNWWRFOPJGATTD-MRXNPFEDSA-N 2 2 389.503 3.208 40 0 GGABLP Cc1ccc(C)n1-n1c(C[NH+]2CCC[C@H](C)C2)nnc1C[N@H+]1CCC[C@H](C)C1 ZINC000260574413 570920287 /nfs/dbraw/zinc/92/02/87/570920287.db2.gz YAKXJULGGVPWMB-ROUUACIJSA-N 2 2 384.572 3.472 40 0 GGABLP Cc1ccc(C)n1-n1c(C[NH+]2CCC[C@H](C)C2)nnc1C[N@@H+]1CCC[C@H](C)C1 ZINC000260574413 570920290 /nfs/dbraw/zinc/92/02/90/570920290.db2.gz YAKXJULGGVPWMB-ROUUACIJSA-N 2 2 384.572 3.472 40 0 GGABLP CCn1cc(C[N@@H+]2CC[C@@]3(Cc4[nH+]cc(-c5ccccc5OC)n4C3)C2)cn1 ZINC000306126649 570937276 /nfs/dbraw/zinc/93/72/76/570937276.db2.gz FAXYSLUZHCGVJY-JOCHJYFZSA-N 2 2 377.492 3.224 40 0 GGABLP CCn1cc(C[N@H+]2CC[C@@]3(Cc4[nH+]cc(-c5ccccc5OC)n4C3)C2)cn1 ZINC000306126649 570937278 /nfs/dbraw/zinc/93/72/78/570937278.db2.gz FAXYSLUZHCGVJY-JOCHJYFZSA-N 2 2 377.492 3.224 40 0 GGABLP Clc1ccccc1C[N@@H+]1CCOC[C@]2(Cc3[nH+]cc(-c4cncnc4)n3C2)C1 ZINC000306132424 570940543 /nfs/dbraw/zinc/94/05/43/570940543.db2.gz LIGJERJJWHSYJT-OAQYLSRUSA-N 2 2 395.894 3.068 40 0 GGABLP Clc1ccccc1C[N@H+]1CCOC[C@]2(Cc3[nH+]cc(-c4cncnc4)n3C2)C1 ZINC000306132424 570940545 /nfs/dbraw/zinc/94/05/45/570940545.db2.gz LIGJERJJWHSYJT-OAQYLSRUSA-N 2 2 395.894 3.068 40 0 GGABLP Cc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[C@@H]([NH+]4CCOCC4)C[C@H]23)no1 ZINC000306134128 570941392 /nfs/dbraw/zinc/94/13/92/570941392.db2.gz NEAZVQYXKWMKJJ-VJBWXMMDSA-N 2 2 381.520 3.380 40 0 GGABLP Cc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[C@@H]([NH+]4CCOCC4)C[C@H]23)no1 ZINC000306134128 570941394 /nfs/dbraw/zinc/94/13/94/570941394.db2.gz NEAZVQYXKWMKJJ-VJBWXMMDSA-N 2 2 381.520 3.380 40 0 GGABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2cccnc2OC)Cc2ccccc21 ZINC000306135005 570941438 /nfs/dbraw/zinc/94/14/38/570941438.db2.gz OEHSNLZNMLNYMD-HXUWFJFHSA-N 2 2 378.476 3.081 40 0 GGABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2cccnc2OC)Cc2ccccc21 ZINC000306135005 570941440 /nfs/dbraw/zinc/94/14/40/570941440.db2.gz OEHSNLZNMLNYMD-HXUWFJFHSA-N 2 2 378.476 3.081 40 0 GGABLP C[NH+]1CC2(C1)C[N@H+](Cc1ccco1)C[C@@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137903 570943151 /nfs/dbraw/zinc/94/31/51/570943151.db2.gz RJTOLNPUUHYWQH-NRFANRHFSA-N 2 2 399.560 3.401 40 0 GGABLP C[NH+]1CC2(C1)C[N@@H+](Cc1ccco1)C[C@@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137903 570943155 /nfs/dbraw/zinc/94/31/55/570943155.db2.gz RJTOLNPUUHYWQH-NRFANRHFSA-N 2 2 399.560 3.401 40 0 GGABLP Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1cccc(C)n1)CC21CC[NH+](C)CC1 ZINC000306138272 570943214 /nfs/dbraw/zinc/94/32/14/570943214.db2.gz RTWNYGRGDRZCET-UHFFFAOYSA-N 2 2 379.552 3.284 40 0 GGABLP Cc1nc2c(n1CC1CC1)C[N@H+](Cc1cccc(C)n1)CC21CC[NH+](C)CC1 ZINC000306138272 570943217 /nfs/dbraw/zinc/94/32/17/570943217.db2.gz RTWNYGRGDRZCET-UHFFFAOYSA-N 2 2 379.552 3.284 40 0 GGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306143809 570946620 /nfs/dbraw/zinc/94/66/20/570946620.db2.gz YNHLGPJMOVEZLT-OALUTQOASA-N 2 2 390.487 3.267 40 0 GGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306143809 570946623 /nfs/dbraw/zinc/94/66/23/570946623.db2.gz YNHLGPJMOVEZLT-OALUTQOASA-N 2 2 390.487 3.267 40 0 GGABLP Cc1[nH+]ccn1C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019287710 570970591 /nfs/dbraw/zinc/97/05/91/570970591.db2.gz GRTFZNDGBILJCO-LAUBAEHRSA-N 2 2 386.515 3.336 40 0 GGABLP Cc1[nH+]ccn1C[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019287710 570970594 /nfs/dbraw/zinc/97/05/94/570970594.db2.gz GRTFZNDGBILJCO-LAUBAEHRSA-N 2 2 386.515 3.336 40 0 GGABLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000019293632 570973312 /nfs/dbraw/zinc/97/33/12/570973312.db2.gz QWZOJOWYHITMKC-UHFFFAOYSA-N 2 2 384.499 3.115 40 0 GGABLP FC(F)(F)c1[nH]c2ncccc2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000019345119 570977665 /nfs/dbraw/zinc/97/76/65/570977665.db2.gz BCLXCQIYBTXANW-AWEZNQCLSA-N 2 2 382.430 3.126 40 0 GGABLP FC(F)(F)c1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000019345119 570977666 /nfs/dbraw/zinc/97/76/66/570977666.db2.gz BCLXCQIYBTXANW-AWEZNQCLSA-N 2 2 382.430 3.126 40 0 GGABLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000045232545 570988811 /nfs/dbraw/zinc/98/88/11/570988811.db2.gz IIWWBAUJOUJHHZ-ICSRJNTNSA-N 2 2 383.540 3.463 40 0 GGABLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000045232545 570988820 /nfs/dbraw/zinc/98/88/20/570988820.db2.gz IIWWBAUJOUJHHZ-ICSRJNTNSA-N 2 2 383.540 3.463 40 0 GGABLP COc1cccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c1OC ZINC000019589030 571016296 /nfs/dbraw/zinc/01/62/96/571016296.db2.gz JVJBLDCKHVFIQX-LJQANCHMSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c1OC ZINC000019589030 571016298 /nfs/dbraw/zinc/01/62/98/571016298.db2.gz JVJBLDCKHVFIQX-LJQANCHMSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c1OC ZINC000019589030 571016299 /nfs/dbraw/zinc/01/62/99/571016299.db2.gz JVJBLDCKHVFIQX-LJQANCHMSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c1OC ZINC000019589030 571016300 /nfs/dbraw/zinc/01/63/00/571016300.db2.gz JVJBLDCKHVFIQX-LJQANCHMSA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c1OC ZINC000019589028 571016345 /nfs/dbraw/zinc/01/63/45/571016345.db2.gz JVJBLDCKHVFIQX-IBGZPJMESA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c1OC ZINC000019589028 571016347 /nfs/dbraw/zinc/01/63/47/571016347.db2.gz JVJBLDCKHVFIQX-IBGZPJMESA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c1OC ZINC000019589028 571016348 /nfs/dbraw/zinc/01/63/48/571016348.db2.gz JVJBLDCKHVFIQX-IBGZPJMESA-N 2 2 382.508 3.209 40 0 GGABLP COc1cccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c1OC ZINC000019589028 571016349 /nfs/dbraw/zinc/01/63/49/571016349.db2.gz JVJBLDCKHVFIQX-IBGZPJMESA-N 2 2 382.508 3.209 40 0 GGABLP COCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590341 571017985 /nfs/dbraw/zinc/01/79/85/571017985.db2.gz UOSPEUMGZRWXES-QFIPXVFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019590341 571017986 /nfs/dbraw/zinc/01/79/86/571017986.db2.gz UOSPEUMGZRWXES-QFIPXVFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590341 571017989 /nfs/dbraw/zinc/01/79/89/571017989.db2.gz UOSPEUMGZRWXES-QFIPXVFZSA-N 2 2 396.535 3.217 40 0 GGABLP COCCOc1cccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590341 571017990 /nfs/dbraw/zinc/01/79/90/571017990.db2.gz UOSPEUMGZRWXES-QFIPXVFZSA-N 2 2 396.535 3.217 40 0 GGABLP CC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](Cc3cnc(C)s3)CC2)cc(C)[nH+]1 ZINC000019697974 571030373 /nfs/dbraw/zinc/03/03/73/571030373.db2.gz JDGNKZPXYHCHEI-OAQYLSRUSA-N 2 2 399.564 3.161 40 0 GGABLP O=C(C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019716006 571037666 /nfs/dbraw/zinc/03/76/66/571037666.db2.gz NJWULSRNOGNCJW-OAHLLOKOSA-N 2 2 399.495 3.496 40 0 GGABLP O=C(C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019716006 571037667 /nfs/dbraw/zinc/03/76/67/571037667.db2.gz NJWULSRNOGNCJW-OAHLLOKOSA-N 2 2 399.495 3.496 40 0 GGABLP CNc1cc([C@H]2CCC[NH2+]C2)nc(C[N@H+](C)CCCOc2ccccc2F)n1 ZINC000019710032 1399336090 /nfs/dbraw/zinc/33/60/90/1399336090.db2.gz FWJZZSFISNKJPY-INIZCTEOSA-N 2 2 387.503 3.025 40 0 GGABLP CNc1cc([C@H]2CCC[NH2+]C2)nc(C[N@@H+](C)CCCOc2ccccc2F)n1 ZINC000019710032 1399336096 /nfs/dbraw/zinc/33/60/96/1399336096.db2.gz FWJZZSFISNKJPY-INIZCTEOSA-N 2 2 387.503 3.025 40 0 GGABLP