smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[NH+]1CCN(c2nc(C)nc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000012142758 204375966 /nfs/dbraw/zinc/37/59/66/204375966.db2.gz FBXAIUKTZOATFW-UHFFFAOYSA-N 2 2 381.524 2.112 40 0 GEABLP COCC[NH+]1CCN(c2nc(C)nc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000012142758 204375971 /nfs/dbraw/zinc/37/59/71/204375971.db2.gz FBXAIUKTZOATFW-UHFFFAOYSA-N 2 2 381.524 2.112 40 0 GEABLP CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCC[NH+]1CCCC1)N(Cc1cccnc1)CC2 ZINC000096265054 570226827 /nfs/dbraw/zinc/22/68/27/570226827.db2.gz UMODJJZTJRUJOE-NRFANRHFSA-N 2 2 396.539 2.170 40 0 GEABLP CCCCCCOC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COCCCCCC ZINC000022584288 570322312 /nfs/dbraw/zinc/32/23/12/570322312.db2.gz ZSARAAXPFCGJBR-PMACEKPBSA-N 2 2 376.582 2.081 40 0 GEABLP CN(C)c1cc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760218 570899370 /nfs/dbraw/zinc/89/93/70/570899370.db2.gz DQSMDGTUGRYLDX-GOSISDBHSA-N 2 2 388.560 2.190 40 0 GEABLP CN(C)c1cc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760218 570899374 /nfs/dbraw/zinc/89/93/74/570899374.db2.gz DQSMDGTUGRYLDX-GOSISDBHSA-N 2 2 388.560 2.190 40 0 GEABLP CCOc1cc2c(cc1C[NH+]1CCC(c3nnc4n3CC[NH2+]C4)CC1)O[C@H](C)C2 ZINC000019711175 571035162 /nfs/dbraw/zinc/03/51/62/571035162.db2.gz HSTORMGRJYSRDS-OAHLLOKOSA-N 2 2 397.523 2.483 40 0 GEABLP C[NH+](C)CCCNc1nc(NCc2ccccc2F)cc(-c2ccncc2)[nH+]1 ZINC000328972637 570210138 /nfs/dbraw/zinc/21/01/38/570210138.db2.gz DWLZKIQAWZDSAK-UHFFFAOYSA-N 2 2 380.471 2.497 40 0 GEABLP CCCN1CCc2cc(-c3c[nH+]cn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719711 570210914 /nfs/dbraw/zinc/21/09/14/570210914.db2.gz HQDYGRXBNBUEOF-GOSISDBHSA-N 2 2 388.537 2.099 40 0 GEABLP CC(C)c1[nH+]ccn1-c1cc[nH+]c([C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000585178787 570999706 /nfs/dbraw/zinc/99/97/06/570999706.db2.gz ABRUKEZMUJRVEJ-HNNXBMFYSA-N 2 2 377.514 2.377 40 0 GEABLP C[NH+](C)CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019581786 571013725 /nfs/dbraw/zinc/01/37/25/571013725.db2.gz VJQRWVJBWQMVQL-SFHVURJKSA-N 2 2 387.528 2.098 40 0 GEABLP C[NH+](C)CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019581786 571013730 /nfs/dbraw/zinc/01/37/30/571013730.db2.gz VJQRWVJBWQMVQL-SFHVURJKSA-N 2 2 387.528 2.098 40 0 GEABLP COc1ccc2c(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)cn(C)c2c1 ZINC000019711174 571035122 /nfs/dbraw/zinc/03/51/22/571035122.db2.gz PHJUWMNPKRBCFV-UHFFFAOYSA-N 2 2 380.496 2.261 40 0 GEABLP C[N@H+](CCc1ccccn1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(Cl)c2)[C@@H]1O ZINC000257218089 206160934 /nfs/dbraw/zinc/16/09/34/206160934.db2.gz DBVUHUHPFBNKAZ-YRXWBPOGSA-N 2 2 379.863 2.257 40 0 GEABLP C[N@@H+](CCc1ccccn1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(Cl)c2)[C@@H]1O ZINC000257218089 206160937 /nfs/dbraw/zinc/16/09/37/206160937.db2.gz DBVUHUHPFBNKAZ-YRXWBPOGSA-N 2 2 379.863 2.257 40 0 GEABLP CCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257243906 206165867 /nfs/dbraw/zinc/16/58/67/206165867.db2.gz IJBBDHKFDDGJFT-HGHGUNKESA-N 2 2 381.480 2.375 40 0 GEABLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cn(CC(N)=O)c4ccccc34)CC2)C[C@H](C)O1 ZINC000012363746 570646047 /nfs/dbraw/zinc/64/60/47/570646047.db2.gz WSEUETHMVHJQFV-CALCHBBNSA-N 2 2 384.524 2.200 40 0 GEABLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cn(CC(N)=O)c4ccccc34)CC2)C[C@H](C)O1 ZINC000012363746 570646050 /nfs/dbraw/zinc/64/60/50/570646050.db2.gz WSEUETHMVHJQFV-CALCHBBNSA-N 2 2 384.524 2.200 40 0 GEABLP O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000019369784 570980568 /nfs/dbraw/zinc/98/05/68/570980568.db2.gz VJKYPBBVABWIPZ-HSZRJFAPSA-N 2 2 382.504 2.491 40 0 GEABLP O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000019369784 570980570 /nfs/dbraw/zinc/98/05/70/570980570.db2.gz VJKYPBBVABWIPZ-HSZRJFAPSA-N 2 2 382.504 2.491 40 0 GEABLP CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000012145834 204375037 /nfs/dbraw/zinc/37/50/37/204375037.db2.gz OSFZUXMWUBBYNC-SFHVURJKSA-N 2 2 399.539 2.111 40 0 GEABLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257288710 206172951 /nfs/dbraw/zinc/17/29/51/206172951.db2.gz PVGNNMQHCKYGTA-HGHGUNKESA-N 2 2 381.480 2.375 40 0 GEABLP CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC000514288623 560034716 /nfs/dbraw/zinc/03/47/16/560034716.db2.gz HUGWGTJTYTVIJG-WBVHZDCISA-N 2 2 383.414 2.317 40 0 biogenic,in-vitro GEABLP CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC000514288623 560034718 /nfs/dbraw/zinc/03/47/18/560034718.db2.gz HUGWGTJTYTVIJG-WBVHZDCISA-N 2 2 383.414 2.317 40 0 biogenic,in-vitro GEABLP C[NH+]1CCN(CCNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)CC1 ZINC000328989103 570210915 /nfs/dbraw/zinc/21/09/15/570210915.db2.gz IIWPTUBGFFKFBC-UHFFFAOYSA-N 2 2 394.567 2.391 40 0 GEABLP C[NH+](C)CCCNc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329047657 570214762 /nfs/dbraw/zinc/21/47/62/570214762.db2.gz UGAGFRJMLKQPGR-UHFFFAOYSA-N 2 2 380.471 2.497 40 0 GEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccncc1)CCC2 ZINC000096056132 571098582 /nfs/dbraw/zinc/09/85/82/571098582.db2.gz UTIIHUJKNDQLTG-UGKGYDQZSA-N 2 2 379.508 2.283 40 0 GEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccncc1)CCC2 ZINC000096056132 571098583 /nfs/dbraw/zinc/09/85/83/571098583.db2.gz UTIIHUJKNDQLTG-UGKGYDQZSA-N 2 2 379.508 2.283 40 0 GEABLP O=S1(=O)CC[C@H]([NH2+]CCn2c[nH+]cc2-c2[nH]c3ccccc3c2Cl)C1 ZINC000019719397 531578091 /nfs/dbraw/zinc/57/80/91/531578091.db2.gz MAVBLRRYLSULHD-LBPRGKRZSA-N 2 2 378.885 2.462 40 0 GEABLP COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](C3CCOCC3)CC2)cs1 ZINC000225423275 206047509 /nfs/dbraw/zinc/04/75/09/206047509.db2.gz PNODIHXEADPXFK-QGZVFWFLSA-N 2 2 395.569 2.216 40 0 biogenic,in-vitro GEABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](C3CCOCC3)CC2)cs1 ZINC000225423275 206047514 /nfs/dbraw/zinc/04/75/14/206047514.db2.gz PNODIHXEADPXFK-QGZVFWFLSA-N 2 2 395.569 2.216 40 0 biogenic,in-vitro GEABLP Cn1c[nH+]cc1CNc1ncc2c(n1)[C@@]1(CC[N@H+](Cc3ccccc3)C1)COC2 ZINC000306127602 206198368 /nfs/dbraw/zinc/19/83/68/206198368.db2.gz GDGXREAHUOLWPQ-JOCHJYFZSA-N 2 2 390.491 2.496 40 0 GEABLP Cn1c[nH+]cc1CNc1ncc2c(n1)[C@@]1(CC[N@@H+](Cc3ccccc3)C1)COC2 ZINC000306127602 206198370 /nfs/dbraw/zinc/19/83/70/206198370.db2.gz GDGXREAHUOLWPQ-JOCHJYFZSA-N 2 2 390.491 2.496 40 0 GEABLP Cc1c(-c2c[nH+]cn2CC[NH2+][C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)nn1C ZINC000019719405 570210531 /nfs/dbraw/zinc/21/05/31/570210531.db2.gz JDRWXQBPNDFHPQ-KRWDZBQOSA-N 2 2 399.520 2.036 40 0 GEABLP C[NH+](C)CCCNc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329065873 570215947 /nfs/dbraw/zinc/21/59/47/570215947.db2.gz XVNVVNLCBLBXKJ-UHFFFAOYSA-N 2 2 380.471 2.497 40 0 GEABLP O[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000019369766 570980585 /nfs/dbraw/zinc/98/05/85/570980585.db2.gz SHCQSNZJMYWVJL-HSZRJFAPSA-N 2 2 382.504 2.491 40 0 GEABLP O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000019369766 570980587 /nfs/dbraw/zinc/98/05/87/570980587.db2.gz SHCQSNZJMYWVJL-HSZRJFAPSA-N 2 2 382.504 2.491 40 0 GEABLP C[N@@H+]1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)C[NH+]1Cc3ccccc3C1)C2 ZINC000019588762 571016539 /nfs/dbraw/zinc/01/65/39/571016539.db2.gz FNAAYLKTSNIFKI-FQEVSTJZSA-N 2 2 377.492 2.144 40 0 GEABLP C[N@H+]1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)C[NH+]1Cc3ccccc3C1)C2 ZINC000019588762 571016544 /nfs/dbraw/zinc/01/65/44/571016544.db2.gz FNAAYLKTSNIFKI-FQEVSTJZSA-N 2 2 377.492 2.144 40 0 GEABLP O=C(C[NH+]1CCC(Oc2ccccc2F)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019659032 571024982 /nfs/dbraw/zinc/02/49/82/571024982.db2.gz YBFJVKMZOIIXOR-UHFFFAOYSA-N 2 2 398.482 2.413 40 0 GEABLP Cc1cc(=O)[nH]c(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000019719782 570210933 /nfs/dbraw/zinc/21/09/33/570210933.db2.gz YWHWOLQXVHNNSG-AWEZNQCLSA-N 2 2 380.452 2.260 40 0 GEABLP Cc1cc(=O)[nH]c(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000019719782 570210934 /nfs/dbraw/zinc/21/09/34/570210934.db2.gz YWHWOLQXVHNNSG-AWEZNQCLSA-N 2 2 380.452 2.260 40 0 GEABLP CCc1nc(N2CC[NH+](C[C@H](O)c3cc(OC)ccc3OC)CC2)cc(C)[nH+]1 ZINC000019523158 570995880 /nfs/dbraw/zinc/99/58/80/570995880.db2.gz CWVAVMSBXNYHJB-SFHVURJKSA-N 2 2 386.496 2.220 40 0 GEABLP O=C(C[NH+]1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCN12)NCC1CC1 ZINC000012086102 204369804 /nfs/dbraw/zinc/36/98/04/204369804.db2.gz ZYKTZEFGUOIGGY-UHFFFAOYSA-N 2 2 387.915 2.146 40 0 GEABLP Cc1cc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)nc(C)[nH+]1 ZINC000012330611 204398621 /nfs/dbraw/zinc/39/86/21/204398621.db2.gz YEKLPBORTMUIMQ-GOSISDBHSA-N 2 2 384.480 2.110 40 0 GEABLP O=C(COc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257201195 206157840 /nfs/dbraw/zinc/15/78/40/206157840.db2.gz AGSNMINBLBVDGP-SFTDATJTSA-N 2 2 398.507 2.082 40 0 GEABLP O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257269647 206170221 /nfs/dbraw/zinc/17/02/21/206170221.db2.gz MQUBXQOGKIJGMP-NJDAHSKKSA-N 2 2 398.507 2.242 40 0 GEABLP CCc1nc(N2CCN(C(=O)[C@@H](c3ccc(F)cc3)[NH+](C)C)CC2)cc(C)[nH+]1 ZINC000019523126 570995803 /nfs/dbraw/zinc/99/58/03/570995803.db2.gz RMVIAOSFZOUIPS-HXUWFJFHSA-N 2 2 385.487 2.438 40 0 GEABLP Cc1cc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)nc(C)[nH+]1 ZINC000012330614 204399418 /nfs/dbraw/zinc/39/94/18/204399418.db2.gz YEKLPBORTMUIMQ-SFHVURJKSA-N 2 2 384.480 2.110 40 0 GEABLP COc1ccccc1[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000257246295 206165899 /nfs/dbraw/zinc/16/58/99/206165899.db2.gz ITMKQFKLCVCYTC-IBGZPJMESA-N 2 2 379.464 2.465 40 0 GEABLP CCc1nc(N2CC[NH+](C[C@@H](O)c3cc(OC)ccc3OC)CC2)cc(C)[nH+]1 ZINC000019523157 570995648 /nfs/dbraw/zinc/99/56/48/570995648.db2.gz CWVAVMSBXNYHJB-GOSISDBHSA-N 2 2 386.496 2.220 40 0 GEABLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000019715719 571037644 /nfs/dbraw/zinc/03/76/44/571037644.db2.gz ANLIIRNRDXKZOV-UHFFFAOYSA-N 2 2 381.524 2.410 40 0 GEABLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000019715719 571037645 /nfs/dbraw/zinc/03/76/45/571037645.db2.gz ANLIIRNRDXKZOV-UHFFFAOYSA-N 2 2 381.524 2.410 40 0 GEABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096056041 571098042 /nfs/dbraw/zinc/09/80/42/571098042.db2.gz VQOOQRMPQPABGE-RXVVDRJESA-N 2 2 383.496 2.097 40 0 GEABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1cnn(C)c1)CCC2 ZINC000096056041 571098043 /nfs/dbraw/zinc/09/80/43/571098043.db2.gz VQOOQRMPQPABGE-RXVVDRJESA-N 2 2 383.496 2.097 40 0 GEABLP CCCCCCOC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COCCCCCC ZINC000022584292 207256726 /nfs/dbraw/zinc/25/67/26/207256726.db2.gz ZSARAAXPFCGJBR-WOJBJXKFSA-N 2 2 376.582 2.081 40 0 GEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096056131 208257824 /nfs/dbraw/zinc/25/78/24/208257824.db2.gz QUKXZPYAJDFRDD-UGKGYDQZSA-N 2 2 379.508 2.283 40 0 GEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096056131 208257828 /nfs/dbraw/zinc/25/78/28/208257828.db2.gz QUKXZPYAJDFRDD-UGKGYDQZSA-N 2 2 379.508 2.283 40 0 GEABLP O=C(c1ccc(OCC[NH+]2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257326572 209076789 /nfs/dbraw/zinc/07/67/89/209076789.db2.gz WXRPZRYRBZPBJS-SFTDATJTSA-N 2 2 398.507 2.196 40 0 GEABLP COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000035424996 560080831 /nfs/dbraw/zinc/08/08/31/560080831.db2.gz MWWFMMBRJATCDZ-KRWDZBQOSA-N 2 2 387.484 2.388 40 0 biogenic,in-vitro GEABLP COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000035424996 560080832 /nfs/dbraw/zinc/08/08/32/560080832.db2.gz MWWFMMBRJATCDZ-KRWDZBQOSA-N 2 2 387.484 2.388 40 0 biogenic,in-vitro GEABLP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000585272268 570242514 /nfs/dbraw/zinc/24/25/14/570242514.db2.gz JTTWAYZUGSJPBB-HXUWFJFHSA-N 3 2 397.510 2.295 40 0 GEABLP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000585272268 570242519 /nfs/dbraw/zinc/24/25/19/570242519.db2.gz JTTWAYZUGSJPBB-HXUWFJFHSA-N 3 2 397.510 2.295 40 0 GEABLP CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC3)c1 ZINC000585111142 570945034 /nfs/dbraw/zinc/94/50/34/570945034.db2.gz GPAMENRAEFPQIU-IBGZPJMESA-N 2 2 395.507 2.378 40 0 GEABLP CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC3)c1 ZINC000585111142 570945039 /nfs/dbraw/zinc/94/50/39/570945039.db2.gz GPAMENRAEFPQIU-IBGZPJMESA-N 2 2 395.507 2.378 40 0 GEABLP CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019523566 207128188 /nfs/dbraw/zinc/12/81/88/207128188.db2.gz JASRDWKQRXYGAB-YJBOKZPZSA-N 2 2 382.512 2.271 40 0 GEABLP COCCOc1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019593760 207142962 /nfs/dbraw/zinc/14/29/62/207142962.db2.gz SNRPWSAMWKZKHA-LJQANCHMSA-N 2 2 398.507 2.493 40 0 GEABLP COCCOc1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019593760 207142966 /nfs/dbraw/zinc/14/29/66/207142966.db2.gz SNRPWSAMWKZKHA-LJQANCHMSA-N 2 2 398.507 2.493 40 0 GEABLP CCc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257201472 209055397 /nfs/dbraw/zinc/05/53/97/209055397.db2.gz AHVIJVADGVVOQJ-OALUTQOASA-N 2 2 381.480 2.410 40 0 GEABLP Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)[C@H]1O ZINC000257288830 209068320 /nfs/dbraw/zinc/06/83/20/209068320.db2.gz PVWUXVNWBVRANI-SFHLNBCPSA-N 2 2 381.480 2.463 40 0 GEABLP COCc1ccc(OC)c(C[NH+]2CCC3(C[C@@H](NC(C)=O)C[N@@H+]3C)CC2)c1 ZINC000257333074 209079145 /nfs/dbraw/zinc/07/91/45/209079145.db2.gz YAALLSMETNTRGK-LJQANCHMSA-N 2 2 375.513 2.016 40 0 GEABLP COCc1ccc(OC)c(C[NH+]2CCC3(C[C@@H](NC(C)=O)C[N@H+]3C)CC2)c1 ZINC000257333074 209079149 /nfs/dbraw/zinc/07/91/49/209079149.db2.gz YAALLSMETNTRGK-LJQANCHMSA-N 2 2 375.513 2.016 40 0 GEABLP O=C(C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCN12)NCc1ccccc1 ZINC000072327094 222228468 /nfs/dbraw/zinc/22/84/68/222228468.db2.gz IPARXDXAKIFNII-UHFFFAOYSA-N 2 2 389.503 2.283 40 0 GEABLP Cn1ccnc1COc1ccc(C[NH2+]C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cc1 ZINC000257285718 570488689 /nfs/dbraw/zinc/48/86/89/570488689.db2.gz PILMKUZDIKICES-QFIPXVFZSA-N 2 2 393.491 2.125 40 0 GEABLP C[NH+](C)CCNC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306133314 209101117 /nfs/dbraw/zinc/10/11/17/209101117.db2.gz MIDSONJPCWPJEF-LJQANCHMSA-N 2 2 392.507 2.358 40 0 GEABLP C[NH+](C)CCNC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306133314 209101122 /nfs/dbraw/zinc/10/11/22/209101122.db2.gz MIDSONJPCWPJEF-LJQANCHMSA-N 2 2 392.507 2.358 40 0 GEABLP C[C@H]1C[NH+](C2CC[NH+](Cc3cn(CC(N)=O)c4ccccc34)CC2)C[C@H](C)O1 ZINC000012363748 570646191 /nfs/dbraw/zinc/64/61/91/570646191.db2.gz WSEUETHMVHJQFV-IRXDYDNUSA-N 2 2 384.524 2.200 40 0 GEABLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019523261 207128473 /nfs/dbraw/zinc/12/84/73/207128473.db2.gz STNRDBMXSWLEPV-HNNXBMFYSA-N 2 2 390.491 2.051 40 0 GEABLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019523260 207128803 /nfs/dbraw/zinc/12/88/03/207128803.db2.gz STNRDBMXSWLEPV-OAHLLOKOSA-N 2 2 390.491 2.051 40 0 GEABLP CCn1c(C)[nH+]c2cc(NC(=O)C[C@@H]3C(=O)NCC[N@@H+]3C3CCCC3)ccc21 ZINC000019657629 207145130 /nfs/dbraw/zinc/14/51/30/207145130.db2.gz JEQQFMXLCSSSFK-LJQANCHMSA-N 2 2 383.496 2.436 40 0 GEABLP CCn1c(C)[nH+]c2cc(NC(=O)C[C@@H]3C(=O)NCC[N@H+]3C3CCCC3)ccc21 ZINC000019657629 207145135 /nfs/dbraw/zinc/14/51/35/207145135.db2.gz JEQQFMXLCSSSFK-LJQANCHMSA-N 2 2 383.496 2.436 40 0 GEABLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022535105 207256986 /nfs/dbraw/zinc/25/69/86/207256986.db2.gz YFCDZHQBUQPTBL-UHFFFAOYSA-N 2 2 379.504 2.477 40 0 GEABLP c1c(CC2([NH2+]Cc3ccc4c(c3)OCO4)COC2)noc1C[NH+]1CCCCC1 ZINC000072321962 560076374 /nfs/dbraw/zinc/07/63/74/560076374.db2.gz XYCLDOHBKDYANW-UHFFFAOYSA-N 2 2 385.464 2.491 40 0 biogenic,in-vitro GEABLP Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019287722 207113632 /nfs/dbraw/zinc/11/36/32/207113632.db2.gz MHSXDWHPOMZINV-KXBFYZLASA-N 2 2 382.512 2.359 40 0 GEABLP Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019287722 207113637 /nfs/dbraw/zinc/11/36/37/207113637.db2.gz MHSXDWHPOMZINV-KXBFYZLASA-N 2 2 382.512 2.359 40 0 GEABLP CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019523568 207128107 /nfs/dbraw/zinc/12/81/07/207128107.db2.gz JASRDWKQRXYGAB-MAUKXSAKSA-N 2 2 382.512 2.271 40 0 GEABLP Cc1oc2c(c1C(=O)N(CC[NH+]1CCOCC1)C1CC[NH+](C)CC1)CCCC2 ZINC000019581162 207139493 /nfs/dbraw/zinc/13/94/93/207139493.db2.gz LUADXKRNMNUOOS-UHFFFAOYSA-N 2 2 389.540 2.335 40 0 GEABLP CN(Cc1cc(C2CC[NH2+]CC2)nn1C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019710193 207151542 /nfs/dbraw/zinc/15/15/42/207151542.db2.gz KWNMDEUAXOGYKT-GOSISDBHSA-N 2 2 396.539 2.157 40 0 GEABLP CNc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)nc2c1C[NH2+]CC2 ZINC000019711497 207152739 /nfs/dbraw/zinc/15/27/39/207152739.db2.gz REDNBDNDNYAGGI-AWEZNQCLSA-N 2 2 398.486 2.121 40 0 GEABLP CNc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)nc2c1C[NH2+]CC2 ZINC000019711497 207152742 /nfs/dbraw/zinc/15/27/42/207152742.db2.gz REDNBDNDNYAGGI-AWEZNQCLSA-N 2 2 398.486 2.121 40 0 GEABLP CCN1CCCc2cc(-c3c[nH+]cn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719393 207155932 /nfs/dbraw/zinc/15/59/32/207155932.db2.gz BJLNMVBQXPZUMN-GOSISDBHSA-N 2 2 388.537 2.099 40 0 GEABLP COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425193 560080211 /nfs/dbraw/zinc/08/02/11/560080211.db2.gz KQQDRXXVSJHBEJ-KRWDZBQOSA-N 2 2 386.500 2.421 40 0 biogenic,in-vitro GEABLP COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425193 560080213 /nfs/dbraw/zinc/08/02/13/560080213.db2.gz KQQDRXXVSJHBEJ-KRWDZBQOSA-N 2 2 386.500 2.421 40 0 biogenic,in-vitro GEABLP COCCNc1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)ccn1 ZINC000035424556 560081158 /nfs/dbraw/zinc/08/11/58/560081158.db2.gz OAOZUSWVFGTHSP-KRWDZBQOSA-N 2 2 386.500 2.421 40 0 biogenic,in-vitro GEABLP COCCNc1cc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)ccn1 ZINC000035424556 560081159 /nfs/dbraw/zinc/08/11/59/560081159.db2.gz OAOZUSWVFGTHSP-KRWDZBQOSA-N 2 2 386.500 2.421 40 0 biogenic,in-vitro GEABLP COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cc(Nc3ncccn3)cc(C)[nH+]2)CC1 ZINC000257229793 570765238 /nfs/dbraw/zinc/76/52/38/570765238.db2.gz FZMQIPDOAJRASU-MRXNPFEDSA-N 2 2 398.511 2.254 40 0 GEABLP CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC3)c1 ZINC000585111143 570945180 /nfs/dbraw/zinc/94/51/80/570945180.db2.gz GPAMENRAEFPQIU-LJQANCHMSA-N 2 2 395.507 2.378 40 0 GEABLP CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC3)c1 ZINC000585111143 570945183 /nfs/dbraw/zinc/94/51/83/570945183.db2.gz GPAMENRAEFPQIU-LJQANCHMSA-N 2 2 395.507 2.378 40 0 GEABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1 ZINC000008636244 291113901 /nfs/dbraw/zinc/11/39/01/291113901.db2.gz XYNOWFLKYUJNNO-JAXLGGSGSA-N 2 2 399.583 2.227 40 0 biogenic,in-vitro GEABLP COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)c1 ZINC000328993075 206239893 /nfs/dbraw/zinc/23/98/93/206239893.db2.gz IYJOZKULLKSZHD-UHFFFAOYSA-N 2 2 399.495 2.100 40 0 GEABLP Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019287725 207113697 /nfs/dbraw/zinc/11/36/97/207113697.db2.gz MHSXDWHPOMZINV-HNAYVOBHSA-N 2 2 382.512 2.359 40 0 GEABLP Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019287725 207113703 /nfs/dbraw/zinc/11/37/03/207113703.db2.gz MHSXDWHPOMZINV-HNAYVOBHSA-N 2 2 382.512 2.359 40 0 GEABLP CCc1nc(N2CCN(C(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)CC2)cc(C)[nH+]1 ZINC000019523128 207128432 /nfs/dbraw/zinc/12/84/32/207128432.db2.gz RFKRECCXGSSNPG-SFHVURJKSA-N 2 2 394.523 2.308 40 0 GEABLP CCc1nc(N2CCN(C(=O)[C@H](c3ccc(F)cc3)[NH+](C)C)CC2)cc(C)[nH+]1 ZINC000019523125 207128870 /nfs/dbraw/zinc/12/88/70/207128870.db2.gz RMVIAOSFZOUIPS-FQEVSTJZSA-N 2 2 385.487 2.438 40 0 GEABLP CCC[NH+]1CCC([N@@H+]2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)CC1 ZINC000096080559 208261258 /nfs/dbraw/zinc/26/12/58/208261258.db2.gz SBHWAIRNOLWAGK-QUCCMNQESA-N 2 2 377.554 2.007 40 0 GEABLP CCC[NH+]1CCC([N@H+]2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)CC1 ZINC000096080559 208261261 /nfs/dbraw/zinc/26/12/61/208261261.db2.gz SBHWAIRNOLWAGK-QUCCMNQESA-N 2 2 377.554 2.007 40 0 GEABLP Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)Cn2c(C)[nH+]c3cc(C)c(C)cc32)[C@H]1O ZINC000257215302 209057518 /nfs/dbraw/zinc/05/75/18/209057518.db2.gz CPNFFTXWURRJMF-HGHGUNKESA-N 2 2 381.480 2.347 40 0 GEABLP COc1ccc(C[N@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccc(F)c(F)c3)[C@@H]2O)cc1 ZINC000257282167 209066636 /nfs/dbraw/zinc/06/66/36/209066636.db2.gz OSQSFRXUIGURNP-ZRNYENFQSA-N 2 2 378.419 2.313 40 0 GEABLP COc1ccc(C[N@@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccc(F)c(F)c3)[C@@H]2O)cc1 ZINC000257282167 209066640 /nfs/dbraw/zinc/06/66/40/209066640.db2.gz OSQSFRXUIGURNP-ZRNYENFQSA-N 2 2 378.419 2.313 40 0 GEABLP COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)ccn1 ZINC000035424795 560080423 /nfs/dbraw/zinc/08/04/23/560080423.db2.gz YLZXIQYSPMWZBQ-KRWDZBQOSA-N 2 2 387.484 2.388 40 0 biogenic,in-vitro GEABLP COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)ccn1 ZINC000035424795 560080424 /nfs/dbraw/zinc/08/04/24/560080424.db2.gz YLZXIQYSPMWZBQ-KRWDZBQOSA-N 2 2 387.484 2.388 40 0 biogenic,in-vitro GEABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000067870789 565117194 /nfs/dbraw/zinc/11/71/94/565117194.db2.gz NIHJNZRWNSXWFW-RJGXRXQPSA-N 2 2 399.579 2.414 40 0 biogenic,in-vitro GEABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000067870789 565117202 /nfs/dbraw/zinc/11/72/02/565117202.db2.gz NIHJNZRWNSXWFW-RJGXRXQPSA-N 2 2 399.579 2.414 40 0 biogenic,in-vitro GEABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Br)c1OCC ZINC000022076027 570321702 /nfs/dbraw/zinc/32/17/02/570321702.db2.gz YBYKFFGRSHPXDE-GFCCVEGCSA-N 2 2 375.307 2.307 40 0 GEABLP CCc1ncc(C[N@@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)cn1 ZINC000012183463 570619750 /nfs/dbraw/zinc/61/97/50/570619750.db2.gz HWGIQRQENBJNPQ-DENIHFKCSA-N 2 2 383.540 2.114 40 0 GEABLP CCc1ncc(C[N@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)cn1 ZINC000012183463 570619755 /nfs/dbraw/zinc/61/97/55/570619755.db2.gz HWGIQRQENBJNPQ-DENIHFKCSA-N 2 2 383.540 2.114 40 0 GEABLP c1ccc(OC[C@H]2CCCO2)c(C[N@@H+]2CCn3c(nnc3C3CC[NH2+]CC3)C2)c1 ZINC000072372114 208006664 /nfs/dbraw/zinc/00/66/64/208006664.db2.gz JCNUCFGCZLUNMP-LJQANCHMSA-N 2 2 397.523 2.319 40 0 GEABLP c1ccc(OC[C@H]2CCCO2)c(C[N@H+]2CCn3c(nnc3C3CC[NH2+]CC3)C2)c1 ZINC000072372114 208006671 /nfs/dbraw/zinc/00/66/71/208006671.db2.gz JCNUCFGCZLUNMP-LJQANCHMSA-N 2 2 397.523 2.319 40 0 GEABLP CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000072347654 222234611 /nfs/dbraw/zinc/23/46/11/222234611.db2.gz MYXVBZJNZNPDTI-UHFFFAOYSA-N 2 2 399.539 2.111 40 0 GEABLP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000585272259 570242587 /nfs/dbraw/zinc/24/25/87/570242587.db2.gz JTTWAYZUGSJPBB-FQEVSTJZSA-N 3 2 397.510 2.295 40 0 GEABLP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000585272259 570242589 /nfs/dbraw/zinc/24/25/89/570242589.db2.gz JTTWAYZUGSJPBB-FQEVSTJZSA-N 3 2 397.510 2.295 40 0 GEABLP C[NH+](C)CCCNc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000243058355 570457054 /nfs/dbraw/zinc/45/70/54/570457054.db2.gz IIXSLQLBQLCKLA-UHFFFAOYSA-N 3 2 384.528 2.251 40 0 GEABLP C[NH+](C)CCCNc1nc(NCCN2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000243058355 570457059 /nfs/dbraw/zinc/45/70/59/570457059.db2.gz IIXSLQLBQLCKLA-UHFFFAOYSA-N 2 2 384.528 2.251 40 0 GEABLP CN(C)c1cc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760213 570899310 /nfs/dbraw/zinc/89/93/10/570899310.db2.gz DQSMDGTUGRYLDX-SFHVURJKSA-N 2 2 388.560 2.190 40 0 GEABLP CN(C)c1cc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760213 570899313 /nfs/dbraw/zinc/89/93/13/570899313.db2.gz DQSMDGTUGRYLDX-SFHVURJKSA-N 2 2 388.560 2.190 40 0 GEABLP CC(C)c1[nH+]ccn1-c1cc[nH+]c([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000585178788 570999441 /nfs/dbraw/zinc/99/94/41/570999441.db2.gz ABRUKEZMUJRVEJ-OAHLLOKOSA-N 2 2 377.514 2.377 40 0 GEABLP COc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NCCC[NH+](C)C)n2)c1 ZINC000328962944 571047112 /nfs/dbraw/zinc/04/71/12/571047112.db2.gz BLDYCIPMKFYTFN-UHFFFAOYSA-N 2 2 392.507 2.367 40 0 GEABLP CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019523567 207128029 /nfs/dbraw/zinc/12/80/29/207128029.db2.gz JASRDWKQRXYGAB-CRAIPNDOSA-N 2 2 382.512 2.271 40 0 GEABLP CNc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3F)C2)nc2c1C[NH2+]CC2 ZINC000019711491 207152303 /nfs/dbraw/zinc/15/23/03/207152303.db2.gz UTOJYFDTCVSVHK-AWEZNQCLSA-N 2 2 398.486 2.121 40 0 GEABLP CNc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3F)C2)nc2c1C[NH2+]CC2 ZINC000019711491 207152306 /nfs/dbraw/zinc/15/23/06/207152306.db2.gz UTOJYFDTCVSVHK-AWEZNQCLSA-N 2 2 398.486 2.121 40 0 GEABLP C[NH+](C)CCN1[C@]2(CC[N@H+](Cc3ccsc3)C2)c2ccccc2S1(=O)=O ZINC000096261891 208297690 /nfs/dbraw/zinc/29/76/90/208297690.db2.gz XADYFQSFSYGYFE-IBGZPJMESA-N 2 2 391.562 2.415 40 0 GEABLP C[NH+](C)CCN1[C@]2(CC[N@@H+](Cc3ccsc3)C2)c2ccccc2S1(=O)=O ZINC000096261891 208297697 /nfs/dbraw/zinc/29/76/97/208297697.db2.gz XADYFQSFSYGYFE-IBGZPJMESA-N 2 2 391.562 2.415 40 0 GEABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCOCC1)Nc1ccc(F)cc1F ZINC000095252491 209005082 /nfs/dbraw/zinc/00/50/82/209005082.db2.gz OMBWYWYISNHSHM-YQQAZPJKSA-N 2 2 394.466 2.129 40 0 biogenic,in-vitro GEABLP S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCCC1 ZINC000012602490 291117557 /nfs/dbraw/zinc/11/75/57/291117557.db2.gz DTHRTXROSODHPY-OKZBNKHCSA-N 2 2 376.570 2.440 40 0 biogenic,in-vitro GEABLP S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCCC1 ZINC000012602490 291117558 /nfs/dbraw/zinc/11/75/58/291117558.db2.gz DTHRTXROSODHPY-OKZBNKHCSA-N 2 2 376.570 2.440 40 0 biogenic,in-vitro GEABLP Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257337511 212028550 /nfs/dbraw/zinc/02/85/50/212028550.db2.gz YTBHOBPXFRUVLV-HGHGUNKESA-N 2 2 381.480 2.429 40 0 GEABLP CCOc1cc2c(cc1C[N@@H+]1CCn3c(nnc3C3CC[NH2+]CC3)C1)O[C@@H](C)C2 ZINC000072372119 211102588 /nfs/dbraw/zinc/10/25/88/211102588.db2.gz PAEBPWUEECMBDU-HNNXBMFYSA-N 2 2 397.523 2.483 40 0 GEABLP CCOc1cc2c(cc1C[N@H+]1CCn3c(nnc3C3CC[NH2+]CC3)C1)O[C@@H](C)C2 ZINC000072372119 211102592 /nfs/dbraw/zinc/10/25/92/211102592.db2.gz PAEBPWUEECMBDU-HNNXBMFYSA-N 2 2 397.523 2.483 40 0 GEABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379158 211108332 /nfs/dbraw/zinc/10/83/32/211108332.db2.gz CCUGNXOMJDULMK-SFHVURJKSA-N 2 2 397.523 2.429 40 0 GEABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379158 211108335 /nfs/dbraw/zinc/10/83/35/211108335.db2.gz CCUGNXOMJDULMK-SFHVURJKSA-N 2 2 397.523 2.429 40 0 GEABLP COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000035424894 560080445 /nfs/dbraw/zinc/08/04/45/560080445.db2.gz YWXNZXPKZCREGV-KRWDZBQOSA-N 2 2 386.500 2.421 40 0 biogenic,in-vitro GEABLP COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000035424894 560080447 /nfs/dbraw/zinc/08/04/47/560080447.db2.gz YWXNZXPKZCREGV-KRWDZBQOSA-N 2 2 386.500 2.421 40 0 biogenic,in-vitro GEABLP CCCCCCOC[C@H](O)C[NH2+]CC[NH2+]C[C@H](O)COCCCCCC ZINC000022947458 570339218 /nfs/dbraw/zinc/33/92/18/570339218.db2.gz ZSARAAXPFCGJBR-BGYRXZFFSA-N 2 2 376.582 2.081 40 0 GEABLP CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257329314 212025863 /nfs/dbraw/zinc/02/58/63/212025863.db2.gz XJICINANVQOVNN-DBXWQHBBSA-N 2 2 381.480 2.327 40 0 GEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1nccs1)CCC2 ZINC000096056125 211297791 /nfs/dbraw/zinc/29/77/91/211297791.db2.gz WEFAWXSTFOLUGK-JXFKEZNVSA-N 2 2 385.537 2.345 40 0 GEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1nccs1)CCC2 ZINC000096056125 211297796 /nfs/dbraw/zinc/29/77/96/211297796.db2.gz WEFAWXSTFOLUGK-JXFKEZNVSA-N 2 2 385.537 2.345 40 0 GEABLP CCOc1cc2c(cc1C[N@@H+]1CCn3c(nnc3C3CC[NH2+]CC3)C1)O[C@H](C)C2 ZINC000072372118 211103388 /nfs/dbraw/zinc/10/33/88/211103388.db2.gz PAEBPWUEECMBDU-OAHLLOKOSA-N 2 2 397.523 2.483 40 0 GEABLP CCOc1cc2c(cc1C[N@H+]1CCn3c(nnc3C3CC[NH2+]CC3)C1)O[C@H](C)C2 ZINC000072372118 211103392 /nfs/dbraw/zinc/10/33/92/211103392.db2.gz PAEBPWUEECMBDU-OAHLLOKOSA-N 2 2 397.523 2.483 40 0 GEABLP COCCOc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019593759 210274741 /nfs/dbraw/zinc/27/47/41/210274741.db2.gz SNRPWSAMWKZKHA-IBGZPJMESA-N 2 2 398.507 2.493 40 0 GEABLP COCCOc1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019593759 210274744 /nfs/dbraw/zinc/27/47/44/210274744.db2.gz SNRPWSAMWKZKHA-IBGZPJMESA-N 2 2 398.507 2.493 40 0 GEABLP C[NH+]1CCN(Cc2nc(C3(O)CC[NH+](Cc4ccccc4)CC3)cs2)CC1 ZINC000225471498 560043182 /nfs/dbraw/zinc/04/31/82/560043182.db2.gz UPUUNFJUGSQYBP-UHFFFAOYSA-N 2 2 386.565 2.374 40 0 biogenic,in-vitro GEABLP C[NH+](C)CCCNc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000329064399 209159369 /nfs/dbraw/zinc/15/93/69/209159369.db2.gz XJSWBUSQNKXPCR-UHFFFAOYSA-N 2 2 380.471 2.497 40 0 GEABLP CNc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3F)C2)nc2c1C[NH2+]CC2 ZINC000019711490 210285685 /nfs/dbraw/zinc/28/56/85/210285685.db2.gz UTOJYFDTCVSVHK-CQSZACIVSA-N 2 2 398.486 2.121 40 0 GEABLP CNc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3F)C2)nc2c1C[NH2+]CC2 ZINC000019711490 210285689 /nfs/dbraw/zinc/28/56/89/210285689.db2.gz UTOJYFDTCVSVHK-CQSZACIVSA-N 2 2 398.486 2.121 40 0 GEABLP CCCN1CCc2cc(-c3c[nH+]cn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719712 210289863 /nfs/dbraw/zinc/28/98/63/210289863.db2.gz HQDYGRXBNBUEOF-SFHVURJKSA-N 2 2 388.537 2.099 40 0 GEABLP CCN1CCCc2cc(-c3c[nH+]cn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719394 210289093 /nfs/dbraw/zinc/28/90/93/210289093.db2.gz BJLNMVBQXPZUMN-SFHVURJKSA-N 2 2 388.537 2.099 40 0 GEABLP O=C(C[NH+]1CCC(Oc2ccc(F)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019659034 210278565 /nfs/dbraw/zinc/27/85/65/210278565.db2.gz BAYOZHDTSCHDNR-UHFFFAOYSA-N 2 2 398.482 2.413 40 0 GEABLP CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019523565 210256417 /nfs/dbraw/zinc/25/64/17/210256417.db2.gz JASRDWKQRXYGAB-QAPCUYQASA-N 2 2 382.512 2.271 40 0 GEABLP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019287726 210238487 /nfs/dbraw/zinc/23/84/87/210238487.db2.gz MHSXDWHPOMZINV-DNVCBOLYSA-N 2 2 382.512 2.359 40 0 GEABLP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019287726 210238489 /nfs/dbraw/zinc/23/84/89/210238489.db2.gz MHSXDWHPOMZINV-DNVCBOLYSA-N 2 2 382.512 2.359 40 0 GEABLP COCC[NH+]1CCN(c2nc(C)nc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000019286228 210236080 /nfs/dbraw/zinc/23/60/80/210236080.db2.gz UBYSGHHNPCSWAC-UHFFFAOYSA-N 2 2 381.524 2.112 40 0 GEABLP COCC[NH+]1CCN(c2nc(C)nc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000019286228 210236084 /nfs/dbraw/zinc/23/60/84/210236084.db2.gz UBYSGHHNPCSWAC-UHFFFAOYSA-N 2 2 381.524 2.112 40 0 GEABLP Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCc2[nH]c3cc(C)c(C)cc3[nH+]2)[C@H]1O ZINC000257258612 212012034 /nfs/dbraw/zinc/01/20/34/212012034.db2.gz KUTGANDULBHFRH-FQELHTAISA-N 2 2 381.480 2.498 40 0 GEABLP C[NH+]1CCN(CCNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)CC1 ZINC000328984477 209156136 /nfs/dbraw/zinc/15/61/36/209156136.db2.gz HMVPPTXVLLVPIZ-UHFFFAOYSA-N 2 2 380.540 2.001 40 0 GEABLP C[NH+](C)CCN1[C@@]2(CC[N@H+](Cc3ccsc3)C2)c2ccccc2S1(=O)=O ZINC000096261890 211327168 /nfs/dbraw/zinc/32/71/68/211327168.db2.gz XADYFQSFSYGYFE-LJQANCHMSA-N 2 2 391.562 2.415 40 0 GEABLP C[NH+](C)CCN1[C@@]2(CC[N@@H+](Cc3ccsc3)C2)c2ccccc2S1(=O)=O ZINC000096261890 211327173 /nfs/dbraw/zinc/32/71/73/211327173.db2.gz XADYFQSFSYGYFE-LJQANCHMSA-N 2 2 391.562 2.415 40 0 GEABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379157 211108538 /nfs/dbraw/zinc/10/85/38/211108538.db2.gz CCUGNXOMJDULMK-GOSISDBHSA-N 2 2 397.523 2.429 40 0 GEABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379157 211108541 /nfs/dbraw/zinc/10/85/41/211108541.db2.gz CCUGNXOMJDULMK-GOSISDBHSA-N 2 2 397.523 2.429 40 0 GEABLP CNc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)nc2c1C[NH2+]CC2 ZINC000019711496 210285323 /nfs/dbraw/zinc/28/53/23/210285323.db2.gz REDNBDNDNYAGGI-CQSZACIVSA-N 2 2 398.486 2.121 40 0 GEABLP CNc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)nc2c1C[NH2+]CC2 ZINC000019711496 210285327 /nfs/dbraw/zinc/28/53/27/210285327.db2.gz REDNBDNDNYAGGI-CQSZACIVSA-N 2 2 398.486 2.121 40 0 GEABLP C[NH+](C)CCCNc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329062252 570215574 /nfs/dbraw/zinc/21/55/74/570215574.db2.gz WWBRJHDGMKOHFI-UHFFFAOYSA-N 2 2 380.471 2.497 40 0 GEABLP C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000005014935 570730677 /nfs/dbraw/zinc/73/06/77/570730677.db2.gz SALCJOWZPYGEDW-UHFFFAOYSA-N 2 2 378.520 2.396 40 0 GEABLP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019287723 210237453 /nfs/dbraw/zinc/23/74/53/210237453.db2.gz MHSXDWHPOMZINV-BEFAXECRSA-N 2 2 382.512 2.359 40 0 GEABLP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019287723 210237449 /nfs/dbraw/zinc/23/74/49/210237449.db2.gz MHSXDWHPOMZINV-BEFAXECRSA-N 2 2 382.512 2.359 40 0 GEABLP Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257217397 212006207 /nfs/dbraw/zinc/00/62/07/212006207.db2.gz CYTNQQMHUWCIHP-ICSRJNTNSA-N 2 2 381.480 2.383 40 0 GEABLP CCOc1cc2c(cc1C[NH+]1CCC(c3nnc4n3CC[NH2+]C4)CC1)O[C@@H](C)C2 ZINC000019711176 210285344 /nfs/dbraw/zinc/28/53/44/210285344.db2.gz HSTORMGRJYSRDS-HNNXBMFYSA-N 2 2 397.523 2.483 40 0 GEABLP Cc1c(-c2c[nH+]cn2CC[NH2+][C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)nn1C ZINC000019719404 210289423 /nfs/dbraw/zinc/28/94/23/210289423.db2.gz JDRWXQBPNDFHPQ-QGZVFWFLSA-N 2 2 399.520 2.036 40 0 GEABLP COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)c1 ZINC000035425086 560080985 /nfs/dbraw/zinc/08/09/85/560080985.db2.gz CDKYRFZKAUKNLH-SFHVURJKSA-N 2 2 387.484 2.388 40 0 biogenic,in-vitro GEABLP COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)c1 ZINC000035425086 560080987 /nfs/dbraw/zinc/08/09/87/560080987.db2.gz CDKYRFZKAUKNLH-SFHVURJKSA-N 2 2 387.484 2.388 40 0 biogenic,in-vitro GEABLP COc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329053441 570215557 /nfs/dbraw/zinc/21/55/57/570215557.db2.gz VGWLXSVEMAOBLK-UHFFFAOYSA-N 2 2 392.507 2.367 40 0 GEABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Br)c1OCC ZINC000022076029 570321748 /nfs/dbraw/zinc/32/17/48/570321748.db2.gz YBYKFFGRSHPXDE-LBPRGKRZSA-N 2 2 375.307 2.307 40 0 GEABLP COc1ccc2[nH]cc(C(=O)C[NH+]3CCC(O)(Cn4cc[nH+]c4C)CC3)c2c1 ZINC000019287919 210237558 /nfs/dbraw/zinc/23/75/58/210237558.db2.gz VFWGDSCDPZOMMZ-UHFFFAOYSA-N 2 2 382.464 2.391 40 0 GEABLP Cn1c[nH+]cc1CNc1ncc2c(n1)[C@]1(CC[N@H+](Cc3ccccc3)C1)COC2 ZINC000306127603 212047791 /nfs/dbraw/zinc/04/77/91/212047791.db2.gz GDGXREAHUOLWPQ-QFIPXVFZSA-N 2 2 390.491 2.496 40 0 GEABLP Cn1c[nH+]cc1CNc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3ccccc3)C1)COC2 ZINC000306127603 212047795 /nfs/dbraw/zinc/04/77/95/212047795.db2.gz GDGXREAHUOLWPQ-QFIPXVFZSA-N 2 2 390.491 2.496 40 0 GEABLP COCc1ccc(OC)c(C[NH+]2CCC3(C[C@H](NC(C)=O)C[N@@H+]3C)CC2)c1 ZINC000257333073 212025455 /nfs/dbraw/zinc/02/54/55/212025455.db2.gz YAALLSMETNTRGK-IBGZPJMESA-N 2 2 375.513 2.016 40 0 GEABLP COCc1ccc(OC)c(C[NH+]2CCC3(C[C@H](NC(C)=O)C[N@H+]3C)CC2)c1 ZINC000257333073 212025458 /nfs/dbraw/zinc/02/54/58/212025458.db2.gz YAALLSMETNTRGK-IBGZPJMESA-N 2 2 375.513 2.016 40 0 GEABLP C[NH+](C)CCCNc1nc(NCCc2ccncc2)cc(-c2ccccc2)[nH+]1 ZINC000329047057 209158761 /nfs/dbraw/zinc/15/87/61/209158761.db2.gz UEHCHMKJPMQASY-UHFFFAOYSA-N 2 2 376.508 2.401 40 0 GEABLP COc1ccccc1[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000257246296 212011450 /nfs/dbraw/zinc/01/14/50/212011450.db2.gz ITMKQFKLCVCYTC-LJQANCHMSA-N 2 2 379.464 2.465 40 0 GEABLP C[NH+](C)CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019581789 210270955 /nfs/dbraw/zinc/27/09/55/210270955.db2.gz VJQRWVJBWQMVQL-GOSISDBHSA-N 2 2 387.528 2.098 40 0 GEABLP C[NH+](C)CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019581789 210270960 /nfs/dbraw/zinc/27/09/60/210270960.db2.gz VJQRWVJBWQMVQL-GOSISDBHSA-N 2 2 387.528 2.098 40 0 GEABLP C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](C[NH2+]Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000096482535 560060096 /nfs/dbraw/zinc/06/00/96/560060096.db2.gz UODNZUGCUYOBIQ-PLACYPQZSA-N 2 2 390.911 2.051 40 0 biogenic,in-vitro GEABLP C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](C[NH2+]Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000096482535 560060098 /nfs/dbraw/zinc/06/00/98/560060098.db2.gz UODNZUGCUYOBIQ-PLACYPQZSA-N 2 2 390.911 2.051 40 0 biogenic,in-vitro GEABLP CN1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000044913716 570643003 /nfs/dbraw/zinc/64/30/03/570643003.db2.gz RFJWJKMCFOGNDN-UHFFFAOYSA-N 2 2 392.975 2.306 40 0 GEABLP COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cc1OC ZINC000328965259 571047458 /nfs/dbraw/zinc/04/74/58/571047458.db2.gz CBXCYELTEOPIOX-UHFFFAOYSA-N 2 2 399.495 2.100 40 0 GEABLP Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@@H+](CC(C)(C)C[NH+](C)C)C4)no1 ZINC000019119588 210225791 /nfs/dbraw/zinc/22/57/91/210225791.db2.gz RZFBGPNVJFEGDJ-UHFFFAOYSA-N 2 2 384.484 2.344 40 0 GEABLP Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@H+](CC(C)(C)C[NH+](C)C)C4)no1 ZINC000019119588 210225794 /nfs/dbraw/zinc/22/57/94/210225794.db2.gz RZFBGPNVJFEGDJ-UHFFFAOYSA-N 2 2 384.484 2.344 40 0 GEABLP COc1ccc2c(n1)-n1c(C)[nH+]cc1C1(CCC(C(=O)NCC[NH+](C)C)CC1)N2 ZINC000306134361 212050926 /nfs/dbraw/zinc/05/09/26/212050926.db2.gz NKZRHIJLARCPDG-UHFFFAOYSA-N 2 2 398.511 2.073 40 0 GEABLP C[NH+](C)CCCNc1nc(NCCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329072510 209160800 /nfs/dbraw/zinc/16/08/00/209160800.db2.gz ZYWWYGOKMVJFDP-UHFFFAOYSA-N 2 2 376.508 2.401 40 0 GEABLP CC1(C)Cc2cc(-c3c[nH+]cn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000019719715 210289260 /nfs/dbraw/zinc/28/92/60/210289260.db2.gz ZEPJIZKZLXHBTO-MRXNPFEDSA-N 2 2 375.494 2.040 40 0 GEABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)CC1 ZINC000035425298 560080021 /nfs/dbraw/zinc/08/00/21/560080021.db2.gz WXVPRIAQKKMKPC-SFHVURJKSA-N 2 2 398.511 2.199 40 0 biogenic,in-vitro GEABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)CC1 ZINC000035425298 560080022 /nfs/dbraw/zinc/08/00/22/560080022.db2.gz WXVPRIAQKKMKPC-SFHVURJKSA-N 2 2 398.511 2.199 40 0 biogenic,in-vitro GEABLP Cc1cc(N2CC[NH+](C[C@H](O)c3ccc(NC(=O)C4CC4)cc3)CC2)nc(C)[nH+]1 ZINC000019117573 210226345 /nfs/dbraw/zinc/22/63/45/210226345.db2.gz ANSIKBGPJOLWEZ-FQEVSTJZSA-N 2 2 395.507 2.298 40 0 GEABLP CCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257333700 212026328 /nfs/dbraw/zinc/02/63/28/212026328.db2.gz YCQRSYOVPDDABS-HGHGUNKESA-N 2 2 381.480 2.456 40 0 GEABLP CN(C(=O)c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257241969 212009505 /nfs/dbraw/zinc/00/95/05/212009505.db2.gz IALJSJIDUGZKAK-NJDAHSKKSA-N 2 2 398.507 2.194 40 0 GEABLP C[NH+](C)CCCNc1nc(NCCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000329028387 209157400 /nfs/dbraw/zinc/15/74/00/209157400.db2.gz PUMJLQBDSOXZCX-UHFFFAOYSA-N 2 2 376.508 2.401 40 0 GEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096056130 211298829 /nfs/dbraw/zinc/29/88/29/211298829.db2.gz QLMQWWJNIYADMS-AVRDEDQJSA-N 2 2 379.508 2.283 40 0 GEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096056130 211298832 /nfs/dbraw/zinc/29/88/32/211298832.db2.gz QLMQWWJNIYADMS-AVRDEDQJSA-N 2 2 379.508 2.283 40 0 GEABLP CN(Cc1cc(C2CC[NH2+]CC2)nn1C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019710194 210286090 /nfs/dbraw/zinc/28/60/90/210286090.db2.gz KWNMDEUAXOGYKT-SFHVURJKSA-N 2 2 396.539 2.157 40 0 GEABLP CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000685939103 570397778 /nfs/dbraw/zinc/39/77/78/570397778.db2.gz IPGDYPVQUJZKFR-GBESFXJTSA-N 2 2 398.511 2.432 40 0 GEABLP CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000685939103 570397783 /nfs/dbraw/zinc/39/77/83/570397783.db2.gz IPGDYPVQUJZKFR-GBESFXJTSA-N 2 2 398.511 2.432 40 0 GEABLP CCNC(=[NH2+])Nc1nc2cn(-c3ccccc3)cc2c(N2CC[NH+](C)CC2)n1 ZINC000536554699 570465170 /nfs/dbraw/zinc/46/51/70/570465170.db2.gz FZTKVGHVOTYODY-UHFFFAOYSA-N 2 2 378.484 2.128 40 0 GEABLP OCCCOc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257343112 570487203 /nfs/dbraw/zinc/48/72/03/570487203.db2.gz ZRNCBJVXSHOXGE-LJQANCHMSA-N 2 2 384.467 2.116 40 0 GEABLP OCCCOc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257343112 570487208 /nfs/dbraw/zinc/48/72/08/570487208.db2.gz ZRNCBJVXSHOXGE-LJQANCHMSA-N 2 2 384.467 2.116 40 0 GEABLP C[N@H+](Cc1cc(CC2([NH2+]Cc3ccc(CO)o3)COC2)no1)Cc1ccccc1 ZINC000067898118 222166805 /nfs/dbraw/zinc/16/68/05/222166805.db2.gz QGPKPEFBVJBYSS-UHFFFAOYSA-N 2 2 397.475 2.493 40 0 biogenic,in-vitro GEABLP C[N@@H+](Cc1cc(CC2([NH2+]Cc3ccc(CO)o3)COC2)no1)Cc1ccccc1 ZINC000067898118 222166806 /nfs/dbraw/zinc/16/68/06/222166806.db2.gz QGPKPEFBVJBYSS-UHFFFAOYSA-N 2 2 397.475 2.493 40 0 biogenic,in-vitro GEABLP c1ccc(OC[C@@H]2CCCO2)c(C[N@@H+]2CCn3c(nnc3C3CC[NH2+]CC3)C2)c1 ZINC000072372113 222243106 /nfs/dbraw/zinc/24/31/06/222243106.db2.gz JCNUCFGCZLUNMP-IBGZPJMESA-N 2 2 397.523 2.319 40 0 GEABLP c1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCn3c(nnc3C3CC[NH2+]CC3)C2)c1 ZINC000072372113 222243109 /nfs/dbraw/zinc/24/31/09/222243109.db2.gz JCNUCFGCZLUNMP-IBGZPJMESA-N 2 2 397.523 2.319 40 0 GEABLP O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000019369764 570980477 /nfs/dbraw/zinc/98/04/77/570980477.db2.gz SHCQSNZJMYWVJL-QHCPKHFHSA-N 2 2 382.504 2.491 40 0 GEABLP O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000019369764 570980481 /nfs/dbraw/zinc/98/04/81/570980481.db2.gz SHCQSNZJMYWVJL-QHCPKHFHSA-N 2 2 382.504 2.491 40 0 GEABLP O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000019369782 570980681 /nfs/dbraw/zinc/98/06/81/570980681.db2.gz VJKYPBBVABWIPZ-QHCPKHFHSA-N 2 2 382.504 2.491 40 0 GEABLP O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000019369782 570980682 /nfs/dbraw/zinc/98/06/82/570980682.db2.gz VJKYPBBVABWIPZ-QHCPKHFHSA-N 2 2 382.504 2.491 40 0 GEABLP CCn1c(C)[nH+]c2cc(NC(=O)C[C@H]3C(=O)NCC[N@@H+]3C3CCCC3)ccc21 ZINC000019657627 571024234 /nfs/dbraw/zinc/02/42/34/571024234.db2.gz JEQQFMXLCSSSFK-IBGZPJMESA-N 2 2 383.496 2.436 40 0 GEABLP CCn1c(C)[nH+]c2cc(NC(=O)C[C@H]3C(=O)NCC[N@H+]3C3CCCC3)ccc21 ZINC000019657627 571024235 /nfs/dbraw/zinc/02/42/35/571024235.db2.gz JEQQFMXLCSSSFK-IBGZPJMESA-N 2 2 383.496 2.436 40 0 GEABLP CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000012145833 221159128 /nfs/dbraw/zinc/15/91/28/221159128.db2.gz OSFZUXMWUBBYNC-GOSISDBHSA-N 2 2 399.539 2.111 40 0 GEABLP Cc1cc(N2CC[NH+](C[C@@H](O)c3ccc(NC(=O)C4CC4)cc3)CC2)nc(C)[nH+]1 ZINC000019117571 221398097 /nfs/dbraw/zinc/39/80/97/221398097.db2.gz ANSIKBGPJOLWEZ-HXUWFJFHSA-N 2 2 395.507 2.298 40 0 GEABLP Cc1cc(=O)[nH]c(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000019719783 570210939 /nfs/dbraw/zinc/21/09/39/570210939.db2.gz YWHWOLQXVHNNSG-CQSZACIVSA-N 2 2 380.452 2.260 40 0 GEABLP Cc1cc(=O)[nH]c(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000019719783 570210940 /nfs/dbraw/zinc/21/09/40/570210940.db2.gz YWHWOLQXVHNNSG-CQSZACIVSA-N 2 2 380.452 2.260 40 0 GEABLP OCCCOc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257343111 570486944 /nfs/dbraw/zinc/48/69/44/570486944.db2.gz ZRNCBJVXSHOXGE-IBGZPJMESA-N 2 2 384.467 2.116 40 0 GEABLP OCCCOc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257343111 570486947 /nfs/dbraw/zinc/48/69/47/570486947.db2.gz ZRNCBJVXSHOXGE-IBGZPJMESA-N 2 2 384.467 2.116 40 0 GEABLP CCc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000306141926 570945817 /nfs/dbraw/zinc/94/58/17/570945817.db2.gz WKKNQAXFPSUZHR-YLJYHZDGSA-N 2 2 380.554 2.393 40 0 GEABLP CCc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)s1 ZINC000306141926 570945818 /nfs/dbraw/zinc/94/58/18/570945818.db2.gz WKKNQAXFPSUZHR-YLJYHZDGSA-N 2 2 380.554 2.393 40 0 GEABLP C[NH+](C)CCCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)[nH+]1 ZINC000328977671 212090834 /nfs/dbraw/zinc/09/08/34/212090834.db2.gz FUNULDQMLSAZOB-UHFFFAOYSA-N 3 2 382.556 2.153 40 0 GEABLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000685939102 570397803 /nfs/dbraw/zinc/39/78/03/570397803.db2.gz IPGDYPVQUJZKFR-CEXWTWQISA-N 2 2 398.511 2.432 40 0 GEABLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000685939102 570397805 /nfs/dbraw/zinc/39/78/05/570397805.db2.gz IPGDYPVQUJZKFR-CEXWTWQISA-N 2 2 398.511 2.432 40 0 GEABLP C[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000035853316 570552371 /nfs/dbraw/zinc/55/23/71/570552371.db2.gz GTRYYLOJCHCPAT-UHFFFAOYSA-N 2 2 392.547 2.392 40 0 GEABLP C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000035853316 570552377 /nfs/dbraw/zinc/55/23/77/570552377.db2.gz GTRYYLOJCHCPAT-UHFFFAOYSA-N 2 2 392.547 2.392 40 0 GEABLP Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCc2[nH]c3c(cc(C)cc3C)[nH+]2)[C@H]1O ZINC000257286153 570775918 /nfs/dbraw/zinc/77/59/18/570775918.db2.gz PKNJKUONLFOERU-QLVMHMETSA-N 2 2 381.480 2.498 40 0 GEABLP CCCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257322885 570781506 /nfs/dbraw/zinc/78/15/06/570781506.db2.gz WHUVIWPHHQONNS-HGHGUNKESA-N 2 2 381.480 2.375 40 0 GEABLP Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCCCC2)cc1 ZINC000012602463 291117155 /nfs/dbraw/zinc/11/71/55/291117155.db2.gz YHDOCKCHGWOQHE-SLFFLAALSA-N 2 2 391.581 2.470 40 0 biogenic,in-vitro GEABLP Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCCCC2)cc1 ZINC000012602463 291117156 /nfs/dbraw/zinc/11/71/56/291117156.db2.gz YHDOCKCHGWOQHE-SLFFLAALSA-N 2 2 391.581 2.470 40 0 biogenic,in-vitro GEABLP C[NH+](C)CCCNc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329003856 212092720 /nfs/dbraw/zinc/09/27/20/212092720.db2.gz KOMKBJJHLGPHOM-UHFFFAOYSA-N 2 2 380.471 2.497 40 0 GEABLP C[NH+](C)Cc1ccc(C[N@@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1 ZINC000012325655 221182250 /nfs/dbraw/zinc/18/22/50/221182250.db2.gz OJNUIGJNICETSD-UHFFFAOYSA-N 2 2 375.476 2.452 40 0 GEABLP C[NH+](C)Cc1ccc(C[N@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1 ZINC000012325655 221182251 /nfs/dbraw/zinc/18/22/51/221182251.db2.gz OJNUIGJNICETSD-UHFFFAOYSA-N 2 2 375.476 2.452 40 0 GEABLP C[C@@H]1C[NH+](C2CC[NH+](Cc3cn(CC(N)=O)c4ccccc34)CC2)C[C@@H](C)O1 ZINC000012363740 221184953 /nfs/dbraw/zinc/18/49/53/221184953.db2.gz WSEUETHMVHJQFV-IAGOWNOFSA-N 2 2 384.524 2.200 40 0 GEABLP O=C(C[NH+]1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCCN12)NC1CC1 ZINC000072342661 222232204 /nfs/dbraw/zinc/23/22/04/222232204.db2.gz LNFLBQQXCMPQOY-UHFFFAOYSA-N 2 2 387.915 2.289 40 0 GEABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)CC1 ZINC000035424607 560080860 /nfs/dbraw/zinc/08/08/60/560080860.db2.gz HGIMKLSGPJPKRK-SFHVURJKSA-N 2 2 398.511 2.199 40 0 biogenic,in-vitro GEABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)CC1 ZINC000035424607 560080862 /nfs/dbraw/zinc/08/08/62/560080862.db2.gz HGIMKLSGPJPKRK-SFHVURJKSA-N 2 2 398.511 2.199 40 0 biogenic,in-vitro GEABLP CCC[NH+]1CCC([N@@H+]2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)CC1 ZINC000248170955 570721747 /nfs/dbraw/zinc/72/17/47/570721747.db2.gz SBHWAIRNOLWAGK-AZUAARDMSA-N 2 2 377.554 2.007 40 0 GEABLP CCC[NH+]1CCC([N@H+]2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)CC1 ZINC000248170955 570721753 /nfs/dbraw/zinc/72/17/53/570721753.db2.gz SBHWAIRNOLWAGK-AZUAARDMSA-N 2 2 377.554 2.007 40 0 GEABLP O=C(c1cccc(OCC[NH+]2CCCC2)c1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257224423 570763532 /nfs/dbraw/zinc/76/35/32/570763532.db2.gz FBTRBRDSZZVMDZ-SFTDATJTSA-N 2 2 398.507 2.196 40 0 GEABLP CNc1nc(C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)nc2c1CC[NH2+]C2 ZINC000019711341 571035289 /nfs/dbraw/zinc/03/52/89/571035289.db2.gz BHDQXLXZFNFXAL-UHFFFAOYSA-N 2 2 398.486 2.121 40 0 GEABLP C[NH+](C)CCCNc1nc(NCCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329067259 212094580 /nfs/dbraw/zinc/09/45/80/212094580.db2.gz YHCOHFYJUMZUGL-UHFFFAOYSA-N 2 2 376.508 2.401 40 0 GEABLP O=S1(=O)CC[C@@H]([NH2+]CCn2c[nH+]cc2-c2[nH]c3ccccc3c2Cl)C1 ZINC000019719396 221447511 /nfs/dbraw/zinc/44/75/11/221447511.db2.gz MAVBLRRYLSULHD-GFCCVEGCSA-N 2 2 378.885 2.462 40 0 GEABLP O[C@@H]1CC[N@H+](Cc2nc(C3(O)CC[NH+](Cc4ccc(F)cc4)CC3)cs2)C1 ZINC000225465018 560043415 /nfs/dbraw/zinc/04/34/15/560043415.db2.gz CWSRDBXPXIBTRR-QGZVFWFLSA-N 2 2 391.512 2.332 40 0 biogenic,in-vitro GEABLP O[C@@H]1CC[N@@H+](Cc2nc(C3(O)CC[NH+](Cc4ccc(F)cc4)CC3)cs2)C1 ZINC000225465018 560043416 /nfs/dbraw/zinc/04/34/16/560043416.db2.gz CWSRDBXPXIBTRR-QGZVFWFLSA-N 2 2 391.512 2.332 40 0 biogenic,in-vitro GEABLP CC(C)n1c[nH+]c2c1[C@H](C(=O)NCC[NH+]1CCCC1)N(Cc1cccnc1)CC2 ZINC000096265053 570227057 /nfs/dbraw/zinc/22/70/57/570227057.db2.gz UMODJJZTJRUJOE-OAQYLSRUSA-N 2 2 396.539 2.170 40 0 GEABLP COc1ccc(CN(CC[NH+](C)C)Cc2cccnc2)cc1C[NH+]1CCOCC1 ZINC000022931561 570379421 /nfs/dbraw/zinc/37/94/21/570379421.db2.gz RBLDFNLOJBUYBL-UHFFFAOYSA-N 2 2 398.551 2.486 40 0 GEABLP Cn1ccnc1COc1ccc(C[NH2+]C[C@]2(O)CCN(c3cccc[nH+]3)C2)cc1 ZINC000257285717 570488493 /nfs/dbraw/zinc/48/84/93/570488493.db2.gz PILMKUZDIKICES-JOCHJYFZSA-N 2 2 393.491 2.125 40 0 GEABLP CNc1nc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)nc2c1CC[NH2+]C2 ZINC000019711545 571035690 /nfs/dbraw/zinc/03/56/90/571035690.db2.gz DBYSUWXBKXGYIO-UHFFFAOYSA-N 2 2 398.486 2.121 40 0 GEABLP O[C@@H]1CC[N@H+](Cc2nc(C3(O)CC[NH+](Cc4ccccc4F)CC3)cs2)C1 ZINC000225464968 560043396 /nfs/dbraw/zinc/04/33/96/560043396.db2.gz WOLMWJCSQFFJIM-MRXNPFEDSA-N 2 2 391.512 2.332 40 0 biogenic,in-vitro GEABLP O[C@@H]1CC[N@@H+](Cc2nc(C3(O)CC[NH+](Cc4ccccc4F)CC3)cs2)C1 ZINC000225464968 560043397 /nfs/dbraw/zinc/04/33/97/560043397.db2.gz WOLMWJCSQFFJIM-MRXNPFEDSA-N 2 2 391.512 2.332 40 0 biogenic,in-vitro GEABLP COc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NCCC[NH+](C)C)n2)c1 ZINC000329039156 570214097 /nfs/dbraw/zinc/21/40/97/570214097.db2.gz RWKLQLPYIGPQFW-UHFFFAOYSA-N 2 2 392.507 2.367 40 0 GEABLP C[N@@H+]1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)C[NH+]1Cc3ccccc3C1)C2 ZINC000019588759 571016515 /nfs/dbraw/zinc/01/65/15/571016515.db2.gz FNAAYLKTSNIFKI-HXUWFJFHSA-N 2 2 377.492 2.144 40 0 GEABLP C[N@H+]1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)C[NH+]1Cc3ccccc3C1)C2 ZINC000019588759 571016521 /nfs/dbraw/zinc/01/65/21/571016521.db2.gz FNAAYLKTSNIFKI-HXUWFJFHSA-N 2 2 377.492 2.144 40 0 GEABLP C[NH+]1CCN(c2nc(N3CCCC3)nc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000012326546 221183176 /nfs/dbraw/zinc/18/31/76/221183176.db2.gz ZNTZQLJYPGUTDK-UHFFFAOYSA-N 2 2 392.551 2.387 40 0 GEABLP C[NH+]1CCN(c2nc(N3CCCC3)nc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000012326546 221183179 /nfs/dbraw/zinc/18/31/79/221183179.db2.gz ZNTZQLJYPGUTDK-UHFFFAOYSA-N 2 2 392.551 2.387 40 0 GEABLP CCC[NH+]1CCC([N@@H+]2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)CC1 ZINC000248170956 570721538 /nfs/dbraw/zinc/72/15/38/570721538.db2.gz SBHWAIRNOLWAGK-UYAOXDASSA-N 2 2 377.554 2.007 40 0 GEABLP CCC[NH+]1CCC([N@H+]2C[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]32)CC1 ZINC000248170956 570721543 /nfs/dbraw/zinc/72/15/43/570721543.db2.gz SBHWAIRNOLWAGK-UYAOXDASSA-N 2 2 377.554 2.007 40 0 GEABLP CC(C)[N@@H+]1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(C(=O)CCc3cncnc3)CC[C@@H]21 ZINC000585108420 570940201 /nfs/dbraw/zinc/94/02/01/570940201.db2.gz HASSSUDEKBBWPI-HKBOAZHASA-N 2 2 385.556 2.205 40 0 GEABLP CC(C)[N@H+]1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(C(=O)CCc3cncnc3)CC[C@@H]21 ZINC000585108420 570940206 /nfs/dbraw/zinc/94/02/06/570940206.db2.gz HASSSUDEKBBWPI-HKBOAZHASA-N 2 2 385.556 2.205 40 0 GEABLP CCc1nc(N2CCN(C(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)CC2)cc(C)[nH+]1 ZINC000019523127 570995870 /nfs/dbraw/zinc/99/58/70/570995870.db2.gz RFKRECCXGSSNPG-GOSISDBHSA-N 2 2 394.523 2.308 40 0 GEABLP O=C(C[N@@H+]1CCCN(c2ccccn2)CC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657974 571024344 /nfs/dbraw/zinc/02/43/44/571024344.db2.gz UQFDFJTVIUIPTC-UHFFFAOYSA-N 2 2 376.464 2.418 40 0 GEABLP O=C(C[N@H+]1CCCN(c2ccccn2)CC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657974 571024347 /nfs/dbraw/zinc/02/43/47/571024347.db2.gz UQFDFJTVIUIPTC-UHFFFAOYSA-N 2 2 376.464 2.418 40 0 GEABLP Cc1cc2[nH]c(CCNC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)[nH+]c2cc1C ZINC000019662434 571026251 /nfs/dbraw/zinc/02/62/51/571026251.db2.gz PGEMCPZEFZPRRB-UHFFFAOYSA-N 2 2 392.507 2.299 40 0 GEABLP COc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329008114 212093365 /nfs/dbraw/zinc/09/33/65/212093365.db2.gz LPLXYLFIPFFYGG-UHFFFAOYSA-N 2 2 392.507 2.367 40 0 GEABLP CC(C)NC(=O)C[NH+]1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCN12 ZINC000012086105 221147679 /nfs/dbraw/zinc/14/76/79/221147679.db2.gz GHZQEKXMEPCGOE-UHFFFAOYSA-N 2 2 375.904 2.144 40 0 GEABLP CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1cnn(C)c1)CCC2 ZINC000096056029 222374847 /nfs/dbraw/zinc/37/48/47/222374847.db2.gz DRFXRKVNVSGEQN-FPOVZHCZSA-N 2 2 386.496 2.290 40 0 GEABLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1cnn(C)c1)CCC2 ZINC000096056029 222374850 /nfs/dbraw/zinc/37/48/50/222374850.db2.gz DRFXRKVNVSGEQN-FPOVZHCZSA-N 2 2 386.496 2.290 40 0 GEABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096056029 222374854 /nfs/dbraw/zinc/37/48/54/222374854.db2.gz DRFXRKVNVSGEQN-FPOVZHCZSA-N 2 2 386.496 2.290 40 0 GEABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1cnn(C)c1)CCC2 ZINC000096056029 222374856 /nfs/dbraw/zinc/37/48/56/222374856.db2.gz DRFXRKVNVSGEQN-FPOVZHCZSA-N 2 2 386.496 2.290 40 0 GEABLP CCC[NH+]1CCC([N@@H+]2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)CC1 ZINC000096080560 222376916 /nfs/dbraw/zinc/37/69/16/222376916.db2.gz SBHWAIRNOLWAGK-ICSRJNTNSA-N 2 2 377.554 2.007 40 0 GEABLP CCC[NH+]1CCC([N@H+]2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)CC1 ZINC000096080560 222376920 /nfs/dbraw/zinc/37/69/20/222376920.db2.gz SBHWAIRNOLWAGK-ICSRJNTNSA-N 2 2 377.554 2.007 40 0 GEABLP COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425423 560080354 /nfs/dbraw/zinc/08/03/54/560080354.db2.gz CNYNZAOICJOXFZ-KRWDZBQOSA-N 2 2 387.484 2.388 40 0 biogenic,in-vitro GEABLP COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425423 560080356 /nfs/dbraw/zinc/08/03/56/560080356.db2.gz CNYNZAOICJOXFZ-KRWDZBQOSA-N 2 2 387.484 2.388 40 0 biogenic,in-vitro GEABLP CC1(C)Cc2cc(-c3c[nH+]cn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000019719716 570210889 /nfs/dbraw/zinc/21/08/89/570210889.db2.gz ZEPJIZKZLXHBTO-INIZCTEOSA-N 2 2 375.494 2.040 40 0 GEABLP COC[C@H](C)NC(=O)C[NH+]1CCC(c2cc(Nc3ncccn3)cc(C)[nH+]2)CC1 ZINC000257229792 570765048 /nfs/dbraw/zinc/76/50/48/570765048.db2.gz FZMQIPDOAJRASU-INIZCTEOSA-N 2 2 398.511 2.254 40 0 GEABLP C[NH+](C)CCNC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306133313 570941059 /nfs/dbraw/zinc/94/10/59/570941059.db2.gz MIDSONJPCWPJEF-IBGZPJMESA-N 2 2 392.507 2.358 40 0 GEABLP C[NH+](C)CCNC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306133313 570941061 /nfs/dbraw/zinc/94/10/61/570941061.db2.gz MIDSONJPCWPJEF-IBGZPJMESA-N 2 2 392.507 2.358 40 0 GEABLP