smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@H+](C)CC(=O)N2CCn3c(nnc3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000072373956 205338651 /nfs/dbraw/zinc/33/86/51/205338651.db2.gz UFLKWMYJLHTNAN-KRWDZBQOSA-N 2 1 384.484 1.185 40 0 GDABMP COc1ccc(C[N@@H+](C)CC(=O)N2CCn3c(nnc3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000072373956 205338655 /nfs/dbraw/zinc/33/86/55/205338655.db2.gz UFLKWMYJLHTNAN-KRWDZBQOSA-N 2 1 384.484 1.185 40 0 GDABMP Cc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCC[NH+](C)C)n4C[C@@H]3C2)s1 ZINC000306136220 206203392 /nfs/dbraw/zinc/20/33/92/206203392.db2.gz PNCYVTZAZBVPTA-GJZGRUSLSA-N 2 1 388.541 1.244 40 0 GDABMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257265212 570488233 /nfs/dbraw/zinc/48/82/33/570488233.db2.gz LXTHEGVGHLHMRB-QFIPXVFZSA-N 2 1 399.539 1.880 40 0 GDABMP CCN1CC[C@]2(C[N@@H+](CCOC)CC23CC[NH+](Cc2ccccn2)CC3)C1=O ZINC000096036432 571096435 /nfs/dbraw/zinc/09/64/35/571096435.db2.gz BLBNEKJGWQGIRO-QFIPXVFZSA-N 2 1 386.540 1.864 40 0 GDABMP CC1CC[NH+](C[C@@H]2OC[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)cc3)[C@H]2O)CC1 ZINC000514289407 560032821 /nfs/dbraw/zinc/03/28/21/560032821.db2.gz SEVJYNXVIYVOEJ-GBESFXJTSA-N 2 1 382.526 1.040 40 0 biogenic,in-vitro GDABMP COC(=O)CCC(=O)N1C[C@H]2C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245445 570224126 /nfs/dbraw/zinc/22/41/26/570224126.db2.gz ZKCAJNYXGUSRDA-WOJBJXKFSA-N 2 1 399.535 1.994 40 0 GDABMP COc1ccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1OC ZINC000019560818 571005343 /nfs/dbraw/zinc/00/53/43/571005343.db2.gz VXDSQWYWACJEFE-HNNXBMFYSA-N 2 1 382.468 1.792 40 0 GDABMP CN1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000044913749 205091377 /nfs/dbraw/zinc/09/13/77/205091377.db2.gz HWAZMZNRPGRCNM-UHFFFAOYSA-N 2 1 376.520 1.791 40 0 GDABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3F)C[C@H]1C2 ZINC000306130999 206202095 /nfs/dbraw/zinc/20/20/95/206202095.db2.gz JUKMFQFKLAYLSG-CVEARBPZSA-N 2 1 386.475 1.013 40 0 GDABMP Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)CN1CC[NH+](C)CC1 ZINC000022913610 570334178 /nfs/dbraw/zinc/33/41/78/570334178.db2.gz HXFJQLPKVPHFKS-HTZLVSCSSA-N 2 1 375.561 1.508 40 0 GDABMP Cc1cc(N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019697997 571030669 /nfs/dbraw/zinc/03/06/69/571030669.db2.gz KEDYUARCQCYOMI-QGZVFWFLSA-N 2 1 390.513 1.059 40 0 GDABMP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1 ZINC000019706307 571032401 /nfs/dbraw/zinc/03/24/01/571032401.db2.gz XVGNPMDAUBNDEP-LJQANCHMSA-N 2 1 396.539 1.998 40 0 GDABMP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1 ZINC000019706307 571032404 /nfs/dbraw/zinc/03/24/04/571032404.db2.gz XVGNPMDAUBNDEP-LJQANCHMSA-N 2 1 396.539 1.998 40 0 GDABMP COCC[NH+]1CCN(c2ccc3ccc(C(=O)N4CCC[N@@H+](C)CC4)cn32)CC1 ZINC000063527489 206219004 /nfs/dbraw/zinc/21/90/04/206219004.db2.gz HUSKLSLQDWBMFL-UHFFFAOYSA-N 2 1 399.539 1.485 40 0 GDABMP CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](CC1CCOCC1)CCC2 ZINC000096055949 571098112 /nfs/dbraw/zinc/09/81/12/571098112.db2.gz PJDNDVKKDFREPZ-FPOVZHCZSA-N 2 1 381.561 1.552 40 0 GDABMP Cc1cc(N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019697996 204672390 /nfs/dbraw/zinc/67/23/90/204672390.db2.gz KEDYUARCQCYOMI-KRWDZBQOSA-N 2 1 390.513 1.059 40 0 GDABMP Cc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCC[NH+](C)C)C[C@@H]3C2)cc1C ZINC000306138859 206205799 /nfs/dbraw/zinc/20/57/99/206205799.db2.gz SJLRRWCMNRMTFR-RTBURBONSA-N 2 1 396.539 1.491 40 0 GDABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3F)C[C@@H]1C2 ZINC000306131000 206200955 /nfs/dbraw/zinc/20/09/55/206200955.db2.gz JUKMFQFKLAYLSG-HOTGVXAUSA-N 2 1 386.475 1.013 40 0 GDABMP COCC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccccc2-n2cc(C[NH3+])cn2)C1 ZINC000257324908 206180291 /nfs/dbraw/zinc/18/02/91/206180291.db2.gz WQSOJTAUANCANY-KRWDZBQOSA-N 2 1 385.512 1.761 40 0 GDABMP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709207 571033741 /nfs/dbraw/zinc/03/37/41/571033741.db2.gz OFRNJGAZNJTUDG-IBGZPJMESA-N 2 1 394.523 1.188 40 0 GDABMP O=C(C[N@H+]1CCc2ccccc2C1)N1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709207 571033747 /nfs/dbraw/zinc/03/37/47/571033747.db2.gz OFRNJGAZNJTUDG-IBGZPJMESA-N 2 1 394.523 1.188 40 0 GDABMP C[NH+]1CCN(c2nccc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cccc(F)c3)n2)CC1 ZINC000012182280 204378070 /nfs/dbraw/zinc/37/80/70/204378070.db2.gz ODYJGRRSWCAFPO-QUCCMNQESA-N 2 1 398.486 1.477 40 0 GDABMP CCN(CC)S(=O)(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019698008 204671993 /nfs/dbraw/zinc/67/19/93/204671993.db2.gz FLFZQFVGBKJFSQ-QGZVFWFLSA-N 2 1 381.546 1.523 40 0 GDABMP COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)C3CC[NH2+]CC3)CC2)cc1 ZINC000257228971 206162347 /nfs/dbraw/zinc/16/23/47/206162347.db2.gz FWAZFLUTCUCRAQ-JOCHJYFZSA-N 2 1 389.540 1.870 40 0 GDABMP Cc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCC[NH+](C)C)n4C[C@@H]3C2)cc1C ZINC000306138856 206204831 /nfs/dbraw/zinc/20/48/31/206204831.db2.gz SJLRRWCMNRMTFR-MOPGFXCFSA-N 2 1 396.539 1.491 40 0 GDABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3F)C[C@H]1C2 ZINC000306131001 206201757 /nfs/dbraw/zinc/20/17/57/206201757.db2.gz JUKMFQFKLAYLSG-HZPDHXFCSA-N 2 1 386.475 1.013 40 0 GDABMP C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccn2)C1 ZINC000003841945 560190298 /nfs/dbraw/zinc/19/02/98/560190298.db2.gz WQQHZYQWHKOVLY-JKSUJKDBSA-N 2 1 381.480 1.363 40 0 biogenic,in-vitro GDABMP C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccccn2)C1 ZINC000003841945 560190299 /nfs/dbraw/zinc/19/02/99/560190299.db2.gz WQQHZYQWHKOVLY-JKSUJKDBSA-N 2 1 381.480 1.363 40 0 biogenic,in-vitro GDABMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(C(N)=O)(N3CCOCC3)CC2)cc1 ZINC000019659165 571025135 /nfs/dbraw/zinc/02/51/35/571025135.db2.gz MFAVMCPPUPGZLJ-UHFFFAOYSA-N 2 1 383.496 1.333 40 0 GDABMP COc1ccc(C[N@H+](C)CC(=O)N2CCn3c(nnc3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374057 205337740 /nfs/dbraw/zinc/33/77/40/205337740.db2.gz FSSICUZIPQWJOJ-GOSISDBHSA-N 2 1 398.511 1.576 40 0 GDABMP COc1ccc(C[N@@H+](C)CC(=O)N2CCn3c(nnc3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374057 205337744 /nfs/dbraw/zinc/33/77/44/205337744.db2.gz FSSICUZIPQWJOJ-GOSISDBHSA-N 2 1 398.511 1.576 40 0 GDABMP Cc1cc(N2CC[C@](O)(C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000257276545 570488548 /nfs/dbraw/zinc/48/85/48/570488548.db2.gz NUFQNLLJOUXCLR-QFIPXVFZSA-N 2 1 399.539 1.799 40 0 GDABMP COc1ccc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2nnc3n2CC[NH2+]CC3)cc1 ZINC000019710758 571034675 /nfs/dbraw/zinc/03/46/75/571034675.db2.gz XWQRLDGRCYSRLR-SFHVURJKSA-N 2 1 398.511 1.228 40 0 GDABMP COc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2nnc3n2CC[NH2+]CC3)cc1 ZINC000019710758 571034679 /nfs/dbraw/zinc/03/46/79/571034679.db2.gz XWQRLDGRCYSRLR-SFHVURJKSA-N 2 1 398.511 1.228 40 0 GDABMP CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCC(N)=O ZINC000008253718 530549018 /nfs/dbraw/zinc/54/90/18/530549018.db2.gz HRRZOVPRLZXKCN-UHFFFAOYSA-N 2 1 388.306 1.753 40 0 GDABMP C[NH+]1CCN(C[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=S)NCc2ccco2)CC1 ZINC000022926982 560091981 /nfs/dbraw/zinc/09/19/81/560091981.db2.gz NBPKQHSKGWUEBQ-OKZBNKHCSA-N 2 1 391.585 1.202 40 0 biogenic,in-vitro GDABMP C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019590838 571018626 /nfs/dbraw/zinc/01/86/26/571018626.db2.gz YMGYIWRGFMUSEY-NRFANRHFSA-N 2 1 391.519 1.885 40 0 GDABMP C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019590838 571018631 /nfs/dbraw/zinc/01/86/31/571018631.db2.gz YMGYIWRGFMUSEY-NRFANRHFSA-N 2 1 391.519 1.885 40 0 GDABMP CN1[C@@H]2CCN(Cc3ncc[nH]3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000096536597 206122702 /nfs/dbraw/zinc/12/27/02/206122702.db2.gz AZIRORGNBKXBLU-QKLQHJQFSA-N 2 1 396.495 1.202 40 0 biogenic,in-vitro GDABMP Cc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCC[NH+](C)C)n4C[C@@H]3C2)s1 ZINC000306136219 206202799 /nfs/dbraw/zinc/20/27/99/206202799.db2.gz PNCYVTZAZBVPTA-CABCVRRESA-N 2 1 388.541 1.244 40 0 GDABMP CN1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000585269652 570238228 /nfs/dbraw/zinc/23/82/28/570238228.db2.gz GGKNGKRHQUPUTO-QHCPKHFHSA-N 2 1 396.535 1.845 40 0 GDABMP C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000585269652 570238229 /nfs/dbraw/zinc/23/82/29/570238229.db2.gz GGKNGKRHQUPUTO-QHCPKHFHSA-N 2 1 396.535 1.845 40 0 GDABMP COc1ccc([C@@H]2N=C(N3CCN(C)CC3)Nc3nc(C)cc(=O)n32)cc1OC ZINC000104280100 570300579 /nfs/dbraw/zinc/30/05/79/570300579.db2.gz FMWFVWVJLVQXRG-GOSISDBHSA-N 2 1 398.467 1.145 40 0 GDABMP CCN1CC[C@]2(C[N@@H+](CCOC)CC23CC[NH+](Cc2cnn(C)c2)CC3)C1=O ZINC000096036420 571096617 /nfs/dbraw/zinc/09/66/17/571096617.db2.gz UWNSJWVWYSRTTP-NRFANRHFSA-N 2 1 389.544 1.203 40 0 GDABMP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3nnc4n3CC[NH2+]CC4)C1)OCCO2 ZINC000019709356 207150223 /nfs/dbraw/zinc/15/02/23/207150223.db2.gz QYNFDJWKBFCNML-HNNXBMFYSA-N 2 1 399.495 1.583 40 0 GDABMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1O ZINC000257273321 209063683 /nfs/dbraw/zinc/06/36/83/209063683.db2.gz NGCNXXIEYCXIIN-NJDAHSKKSA-N 2 1 397.523 1.828 40 0 GDABMP COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)C3CC[NH2+]CC3)CC2)cc1 ZINC000257228972 570764493 /nfs/dbraw/zinc/76/44/93/570764493.db2.gz FWAZFLUTCUCRAQ-QFIPXVFZSA-N 2 1 389.540 1.870 40 0 GDABMP CC[C@H]1CCCC[N@H+]1CC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019500964 207126686 /nfs/dbraw/zinc/12/66/86/207126686.db2.gz YOADQRPZWSYJTC-SJORKVTESA-N 2 1 384.528 1.889 40 0 GDABMP CCc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCC[NH+](C)C)n4C[C@@H]3C2)cc1 ZINC000306135164 209103233 /nfs/dbraw/zinc/10/32/33/209103233.db2.gz OJQULLTWGFHKCK-MOPGFXCFSA-N 2 1 396.539 1.436 40 0 GDABMP C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270110 570238883 /nfs/dbraw/zinc/23/88/83/570238883.db2.gz FIBHLLRZZHTPGX-QFIPXVFZSA-N 2 1 399.539 1.146 40 0 GDABMP C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270110 570238886 /nfs/dbraw/zinc/23/88/86/570238886.db2.gz FIBHLLRZZHTPGX-QFIPXVFZSA-N 2 1 399.539 1.146 40 0 GDABMP CC[C@@H]1CCCC[N@H+]1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000257336341 570909066 /nfs/dbraw/zinc/90/90/66/570909066.db2.gz YOADQRPZWSYJTC-DLBZAZTESA-N 2 1 384.528 1.889 40 0 GDABMP COc1ccc([C@H]2N=C(N3CCN(C)CC3)Nc3nc(C)cc(=O)n32)cc1OC ZINC000104280095 570300537 /nfs/dbraw/zinc/30/05/37/570300537.db2.gz FMWFVWVJLVQXRG-SFHVURJKSA-N 2 1 398.467 1.145 40 0 GDABMP C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CC(N)=O)C3)CC[C@H]21 ZINC000257332239 209076057 /nfs/dbraw/zinc/07/60/57/209076057.db2.gz XWISMVOZMQGNQC-UAFMIMERSA-N 2 1 384.524 1.130 40 0 GDABMP C[NH+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)CC[C@H]21 ZINC000257332239 209076060 /nfs/dbraw/zinc/07/60/60/209076060.db2.gz XWISMVOZMQGNQC-UAFMIMERSA-N 2 1 384.524 1.130 40 0 GDABMP C[NH+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC[C@H]21 ZINC000257332239 209076065 /nfs/dbraw/zinc/07/60/65/209076065.db2.gz XWISMVOZMQGNQC-UAFMIMERSA-N 2 1 384.524 1.130 40 0 GDABMP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@](O)(CN3CCN(C)CC3)C2)cc1 ZINC000585270506 570239304 /nfs/dbraw/zinc/23/93/04/570239304.db2.gz XZTWBYBLJQUDFT-JOCHJYFZSA-N 2 1 399.539 1.183 40 0 GDABMP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@](O)(CN3CC[NH+](C)CC3)C2)cc1 ZINC000585270506 570239307 /nfs/dbraw/zinc/23/93/07/570239307.db2.gz XZTWBYBLJQUDFT-JOCHJYFZSA-N 2 1 399.539 1.183 40 0 GDABMP Cc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCC[NH+](C)C)n4C[C@H]3C2)cc1C ZINC000306138858 209106734 /nfs/dbraw/zinc/10/67/34/209106734.db2.gz SJLRRWCMNRMTFR-RBUKOAKNSA-N 2 1 396.539 1.491 40 0 GDABMP COc1ccc(C[N@H+](C)CC(=O)N2CCn3c(nnc3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374056 208008710 /nfs/dbraw/zinc/00/87/10/208008710.db2.gz FSSICUZIPQWJOJ-SFHVURJKSA-N 2 1 398.511 1.576 40 0 GDABMP COc1ccc(C[N@@H+](C)CC(=O)N2CCn3c(nnc3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374056 208008721 /nfs/dbraw/zinc/00/87/21/208008721.db2.gz FSSICUZIPQWJOJ-SFHVURJKSA-N 2 1 398.511 1.576 40 0 GDABMP CCOCCOc1ccc(C[N@@H+]2CC[C@](O)(CN3CC[NH+](C)CC3)C2)cc1 ZINC000585269902 570238934 /nfs/dbraw/zinc/23/89/34/570238934.db2.gz PNRXCYKTVPRPMI-NRFANRHFSA-N 2 1 377.529 1.286 40 0 GDABMP CCOCCOc1ccc(C[N@H+]2CC[C@](O)(CN3CC[NH+](C)CC3)C2)cc1 ZINC000585269902 570238935 /nfs/dbraw/zinc/23/89/35/570238935.db2.gz PNRXCYKTVPRPMI-NRFANRHFSA-N 2 1 377.529 1.286 40 0 GDABMP CSCCN1CCC[N@@H+](CCSC)CCN(C)CCC[NH+](C)CC1 ZINC000068604329 530790174 /nfs/dbraw/zinc/79/01/74/530790174.db2.gz FVKVBIGBHDSTJM-UHFFFAOYSA-N 2 1 376.680 1.974 40 0 GDABMP CSCCN1CCC[NH+](CCSC)CCN(C)CCC[N@H+](C)CC1 ZINC000068604329 530790177 /nfs/dbraw/zinc/79/01/77/530790177.db2.gz FVKVBIGBHDSTJM-UHFFFAOYSA-N 2 1 376.680 1.974 40 0 GDABMP CSCCN1CCC[NH+](CCSC)CCN(C)CCC[N@@H+](C)CC1 ZINC000068604329 530790180 /nfs/dbraw/zinc/79/01/80/530790180.db2.gz FVKVBIGBHDSTJM-UHFFFAOYSA-N 2 1 376.680 1.974 40 0 GDABMP C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270106 570238613 /nfs/dbraw/zinc/23/86/13/570238613.db2.gz FIBHLLRZZHTPGX-JOCHJYFZSA-N 2 1 399.539 1.146 40 0 GDABMP C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270106 570238615 /nfs/dbraw/zinc/23/86/15/570238615.db2.gz FIBHLLRZZHTPGX-JOCHJYFZSA-N 2 1 399.539 1.146 40 0 GDABMP Cn1cc(C[NH+]2CCC3(CC[C@@]4(C(=O)N5CCCC5)C[N@@H+](C)C[C@@H]34)CC2)cn1 ZINC000097952834 208362930 /nfs/dbraw/zinc/36/29/30/208362930.db2.gz PDZFXQRLLMZOPO-SIKLNZKXSA-N 2 1 385.556 1.967 40 0 GDABMP CN(C(=O)c1ccc(OCCC[NH3+])cc1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257264422 209064381 /nfs/dbraw/zinc/06/43/81/209064381.db2.gz LUHSTYDQTYCMNQ-VAMGGRTRSA-N 2 1 391.512 1.100 40 0 GDABMP CC[C@H]1CCCC[N@H+]1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000257336342 570908962 /nfs/dbraw/zinc/90/89/62/570908962.db2.gz YOADQRPZWSYJTC-IRXDYDNUSA-N 2 1 384.528 1.889 40 0 GDABMP CC1CC[NH+](CC2(NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CCCCC2)CC1 ZINC000019663712 207147153 /nfs/dbraw/zinc/14/71/53/207147153.db2.gz SUTPUTWVDTUYFB-SFHVURJKSA-N 2 1 378.561 1.735 40 0 GDABMP COc1ccc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]CC3)cc1 ZINC000019710757 207152833 /nfs/dbraw/zinc/15/28/33/207152833.db2.gz XWQRLDGRCYSRLR-GOSISDBHSA-N 2 1 398.511 1.228 40 0 GDABMP COc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]CC3)cc1 ZINC000019710757 207152837 /nfs/dbraw/zinc/15/28/37/207152837.db2.gz XWQRLDGRCYSRLR-GOSISDBHSA-N 2 1 398.511 1.228 40 0 GDABMP [NH3+]CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000585262433 570230503 /nfs/dbraw/zinc/23/05/03/570230503.db2.gz CWLUNJYDHVVPKG-WKDRNLAYSA-N 2 1 399.466 1.208 40 0 GDABMP C[NH+]1CCN(CC(C)(C)C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)CC1 ZINC000023093269 207268366 /nfs/dbraw/zinc/26/83/66/207268366.db2.gz WPFHHTYXUWWOQA-UHFFFAOYSA-N 2 1 396.539 1.464 40 0 GDABMP COC(=O)CCC(=O)N1C[C@@H]2C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC000096245446 208296792 /nfs/dbraw/zinc/29/67/92/208296792.db2.gz ZKCAJNYXGUSRDA-PMACEKPBSA-N 2 1 399.535 1.994 40 0 GDABMP CCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CC[NH+](C)CC3)C2)cc1 ZINC000585269903 570238689 /nfs/dbraw/zinc/23/86/89/570238689.db2.gz PNRXCYKTVPRPMI-OAQYLSRUSA-N 2 1 377.529 1.286 40 0 GDABMP CCOCCOc1ccc(C[N@H+]2CC[C@@](O)(CN3CC[NH+](C)CC3)C2)cc1 ZINC000585269903 570238692 /nfs/dbraw/zinc/23/86/92/570238692.db2.gz PNRXCYKTVPRPMI-OAQYLSRUSA-N 2 1 377.529 1.286 40 0 GDABMP CC1CC[NH+](CC(=O)NCC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)CC1 ZINC000012290946 570632894 /nfs/dbraw/zinc/63/28/94/570632894.db2.gz BJUJFASFKADWTR-UHFFFAOYSA-N 2 1 377.504 1.957 40 0 GDABMP CC1CC[NH+](CC2(NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CCCCC2)CC1 ZINC000019663709 207147410 /nfs/dbraw/zinc/14/74/10/207147410.db2.gz SUTPUTWVDTUYFB-GOSISDBHSA-N 2 1 378.561 1.735 40 0 GDABMP CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CC[NH+](CC2CCOCC2)CC3)C1=O ZINC000096036437 208252577 /nfs/dbraw/zinc/25/25/77/208252577.db2.gz UBLMDWYIAQJGCZ-JOCHJYFZSA-N 2 1 393.572 1.696 40 0 GDABMP Cc1cc(N2CC[C@@](O)(C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000257276544 570488625 /nfs/dbraw/zinc/48/86/25/570488625.db2.gz NUFQNLLJOUXCLR-JOCHJYFZSA-N 2 1 399.539 1.799 40 0 GDABMP C[NH+]1CCCN(C(=O)NCCCCCCNC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000019074981 207101548 /nfs/dbraw/zinc/10/15/48/207101548.db2.gz ZMTWNQNIAXHYNI-UHFFFAOYSA-N 2 1 396.580 1.241 40 0 GDABMP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1 ZINC000019706306 207149934 /nfs/dbraw/zinc/14/99/34/207149934.db2.gz XVGNPMDAUBNDEP-IBGZPJMESA-N 2 1 396.539 1.998 40 0 GDABMP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1 ZINC000019706306 207149940 /nfs/dbraw/zinc/14/99/40/207149940.db2.gz XVGNPMDAUBNDEP-IBGZPJMESA-N 2 1 396.539 1.998 40 0 GDABMP CN(C)C(=O)[C@@]12C[N@H+](Cc3cnn(C)c3)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096083057 211300430 /nfs/dbraw/zinc/30/04/30/211300430.db2.gz OETCFEBXSUTKIB-RXVVDRJESA-N 2 1 385.512 1.816 40 0 GDABMP CN(C)C(=O)[C@@]12C[N@@H+](Cc3cnn(C)c3)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096083057 211300433 /nfs/dbraw/zinc/30/04/33/211300433.db2.gz OETCFEBXSUTKIB-RXVVDRJESA-N 2 1 385.512 1.816 40 0 GDABMP CN(C)C(=O)[C@@]12C[NH+](Cc3cnn(C)c3)C[C@@H]1C[N@H+](Cc1ccco1)CCC2 ZINC000096083057 211300436 /nfs/dbraw/zinc/30/04/36/211300436.db2.gz OETCFEBXSUTKIB-RXVVDRJESA-N 2 1 385.512 1.816 40 0 GDABMP CN(C)C(=O)[C@@]12C[NH+](Cc3cnn(C)c3)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096083057 211300439 /nfs/dbraw/zinc/30/04/39/211300439.db2.gz OETCFEBXSUTKIB-RXVVDRJESA-N 2 1 385.512 1.816 40 0 GDABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)C[NH2+]CCO2)ccc1Cl ZINC000585270998 570239785 /nfs/dbraw/zinc/23/97/85/570239785.db2.gz CTLHOXPTRTVWGH-LJQANCHMSA-N 2 1 381.904 1.550 40 0 GDABMP CCN1CC[C@]2(C[N@@H+](CCOC)CC23CC[NH+](CC2CCOCC2)CC3)C1=O ZINC000096036436 211294033 /nfs/dbraw/zinc/29/40/33/211294033.db2.gz UBLMDWYIAQJGCZ-QFIPXVFZSA-N 2 1 393.572 1.696 40 0 GDABMP Cc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCC[NH+](C)C)C[C@@H]3C2)s1 ZINC000306136221 212051163 /nfs/dbraw/zinc/05/11/63/212051163.db2.gz PNCYVTZAZBVPTA-HUUCEWRRSA-N 2 1 388.541 1.244 40 0 GDABMP C[NH+]1CCC([NH2+]C[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)CC1 ZINC000096296437 560060342 /nfs/dbraw/zinc/06/03/42/560060342.db2.gz FAFKVPAOZOQHBR-KRWDZBQOSA-N 2 1 384.480 1.904 40 0 biogenic,in-vitro GDABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)C[NH2+]CCO2)ccc1Cl ZINC000585270991 570239797 /nfs/dbraw/zinc/23/97/97/570239797.db2.gz CTLHOXPTRTVWGH-IBGZPJMESA-N 2 1 381.904 1.550 40 0 GDABMP COc1cccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)c1OC ZINC000019567599 210264883 /nfs/dbraw/zinc/26/48/83/210264883.db2.gz LAYWRKKRZJMCRM-CQSZACIVSA-N 2 1 382.468 1.792 40 0 GDABMP CCc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCC[NH+](C)C)C[C@@H]3C2)cc1 ZINC000306135167 212051355 /nfs/dbraw/zinc/05/13/55/212051355.db2.gz OJQULLTWGFHKCK-RTBURBONSA-N 2 1 396.539 1.436 40 0 GDABMP COCC[N@H+]1CCC[C@H](CN(C)C(=O)c2ccccc2-n2cc(C[NH3+])cn2)C1 ZINC000257324909 212025981 /nfs/dbraw/zinc/02/59/81/212025981.db2.gz WQSOJTAUANCANY-QGZVFWFLSA-N 2 1 385.512 1.761 40 0 GDABMP CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CC[NH+](Cc2ccccn2)CC3)C1=O ZINC000096036433 211294176 /nfs/dbraw/zinc/29/41/76/211294176.db2.gz BLBNEKJGWQGIRO-JOCHJYFZSA-N 2 1 386.540 1.864 40 0 GDABMP C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)C[NH3+] ZINC000585262429 570230343 /nfs/dbraw/zinc/23/03/43/570230343.db2.gz BQHJDAZGWIOWNK-QCFAMHMHSA-N 2 1 387.455 1.282 40 0 GDABMP CC[C@@H]1CCCC[N@H+]1CC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019500963 210254506 /nfs/dbraw/zinc/25/45/06/210254506.db2.gz YOADQRPZWSYJTC-IAGOWNOFSA-N 2 1 384.528 1.889 40 0 GDABMP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019375378 210246117 /nfs/dbraw/zinc/24/61/17/210246117.db2.gz WGWREEBGOZXRIG-SFHVURJKSA-N 2 1 391.519 1.887 40 0 GDABMP O=C(C[N@H+]1CCc2ccccc2C1)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019375378 210246122 /nfs/dbraw/zinc/24/61/22/210246122.db2.gz WGWREEBGOZXRIG-SFHVURJKSA-N 2 1 391.519 1.887 40 0 GDABMP C[NH+]1CCN(Cc2nc(C3(O)CC[NH+](C4CCOCC4)CC3)cs2)CC1 ZINC000225472017 560043184 /nfs/dbraw/zinc/04/31/84/560043184.db2.gz XVXAPZUCIHOOAO-UHFFFAOYSA-N 2 1 380.558 1.353 40 0 biogenic,in-vitro GDABMP COc1cc(C[N@@H+]2CCC[C@]2(C)C(=O)NCCO)ccc1OCC[NH+](C)C ZINC000257246582 570488243 /nfs/dbraw/zinc/48/82/43/570488243.db2.gz IUTIYTOFHLGICM-HXUWFJFHSA-N 2 1 379.501 1.099 40 0 GDABMP COc1cc(C[N@H+]2CCC[C@]2(C)C(=O)NCCO)ccc1OCC[NH+](C)C ZINC000257246582 570488244 /nfs/dbraw/zinc/48/82/44/570488244.db2.gz IUTIYTOFHLGICM-HXUWFJFHSA-N 2 1 379.501 1.099 40 0 GDABMP CC[NH+]1CCC2(CC[N@@H+](CC(=O)N3[C@@H]4CC[C@H]3Cc3nnsc34)C2)CC1 ZINC000012407675 570654458 /nfs/dbraw/zinc/65/44/58/570654458.db2.gz HPTIOUJUTKBMQG-GOEBONIOSA-N 2 1 375.542 1.934 40 0 GDABMP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019375377 210246964 /nfs/dbraw/zinc/24/69/64/210246964.db2.gz WGWREEBGOZXRIG-GOSISDBHSA-N 2 1 391.519 1.887 40 0 GDABMP O=C(C[N@H+]1CCc2ccccc2C1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019375377 210246969 /nfs/dbraw/zinc/24/69/69/210246969.db2.gz WGWREEBGOZXRIG-GOSISDBHSA-N 2 1 391.519 1.887 40 0 GDABMP CN1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000044913744 570642909 /nfs/dbraw/zinc/64/29/09/570642909.db2.gz CSJYSCKKGJUKDY-UHFFFAOYSA-N 2 1 376.520 1.791 40 0 GDABMP C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)[C@H]3CCC[NH+](CC(N)=O)C3)CC[C@H]21 ZINC000257332238 212025562 /nfs/dbraw/zinc/02/55/62/212025562.db2.gz XWISMVOZMQGNQC-MTQWCTHYSA-N 2 1 384.524 1.130 40 0 GDABMP C[NH+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)CC[C@H]21 ZINC000257332238 212025565 /nfs/dbraw/zinc/02/55/65/212025565.db2.gz XWISMVOZMQGNQC-MTQWCTHYSA-N 2 1 384.524 1.130 40 0 GDABMP C[NH+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC[C@H]21 ZINC000257332238 212025568 /nfs/dbraw/zinc/02/55/68/212025568.db2.gz XWISMVOZMQGNQC-MTQWCTHYSA-N 2 1 384.524 1.130 40 0 GDABMP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709206 210283207 /nfs/dbraw/zinc/28/32/07/210283207.db2.gz OFRNJGAZNJTUDG-LJQANCHMSA-N 2 1 394.523 1.188 40 0 GDABMP O=C(C[N@H+]1CCc2ccccc2C1)N1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709206 210283213 /nfs/dbraw/zinc/28/32/13/210283213.db2.gz OFRNJGAZNJTUDG-LJQANCHMSA-N 2 1 394.523 1.188 40 0 GDABMP Cc1cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019698171 210280729 /nfs/dbraw/zinc/28/07/29/210280729.db2.gz DUEYMZOMIDXYQC-KRWDZBQOSA-N 2 1 379.530 1.277 40 0 GDABMP COc1ccc(C[N@H+](C)CC(=O)N2CCn3c(nnc3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000072373957 211103542 /nfs/dbraw/zinc/10/35/42/211103542.db2.gz UFLKWMYJLHTNAN-QGZVFWFLSA-N 2 1 384.484 1.185 40 0 GDABMP COc1ccc(C[N@@H+](C)CC(=O)N2CCn3c(nnc3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000072373957 211103545 /nfs/dbraw/zinc/10/35/45/211103545.db2.gz UFLKWMYJLHTNAN-QGZVFWFLSA-N 2 1 384.484 1.185 40 0 GDABMP O[C@H]1C[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@@H]1N1CCOCC1 ZINC000257295001 570488960 /nfs/dbraw/zinc/48/89/60/570488960.db2.gz QWOJZFNXLGOAAI-VXKWHMMOSA-N 2 1 389.540 1.429 40 0 GDABMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257265211 570487750 /nfs/dbraw/zinc/48/77/50/570487750.db2.gz LXTHEGVGHLHMRB-JOCHJYFZSA-N 2 1 399.539 1.880 40 0 GDABMP CCc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCC[NH+](C)C)n4C[C@@H]3C2)cc1 ZINC000306135165 570942162 /nfs/dbraw/zinc/94/21/62/570942162.db2.gz OJQULLTWGFHKCK-OALUTQOASA-N 2 1 396.539 1.436 40 0 GDABMP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@](O)(CN3CCN(C)CC3)C2)cc1 ZINC000585270508 570239262 /nfs/dbraw/zinc/23/92/62/570239262.db2.gz XZTWBYBLJQUDFT-QFIPXVFZSA-N 2 1 399.539 1.183 40 0 GDABMP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@](O)(CN3CC[NH+](C)CC3)C2)cc1 ZINC000585270508 570239263 /nfs/dbraw/zinc/23/92/63/570239263.db2.gz XZTWBYBLJQUDFT-QFIPXVFZSA-N 2 1 399.539 1.183 40 0 GDABMP CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CC[NH+](Cc2cnn(C)c2)CC3)C1=O ZINC000096036421 222373623 /nfs/dbraw/zinc/37/36/23/222373623.db2.gz UWNSJWVWYSRTTP-OAQYLSRUSA-N 2 1 389.544 1.203 40 0 GDABMP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3nnc4n3CC[NH2+]CC4)C1)OCCO2 ZINC000019709355 571034259 /nfs/dbraw/zinc/03/42/59/571034259.db2.gz QYNFDJWKBFCNML-OAHLLOKOSA-N 2 1 399.495 1.583 40 0 GDABMP CN(C)C(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008297558 560208198 /nfs/dbraw/zinc/20/81/98/560208198.db2.gz WLJAASZPFAHRAS-TYPHKJRUSA-N 2 1 396.539 1.709 40 0 biogenic,in-vitro GDABMP COc1cc(C[N@@H+]2CCC[C@@]2(C)C(=O)NCCO)ccc1OCC[NH+](C)C ZINC000257246581 570488032 /nfs/dbraw/zinc/48/80/32/570488032.db2.gz IUTIYTOFHLGICM-FQEVSTJZSA-N 2 1 379.501 1.099 40 0 GDABMP COc1cc(C[N@H+]2CCC[C@@]2(C)C(=O)NCCO)ccc1OCC[NH+](C)C ZINC000257246581 570488036 /nfs/dbraw/zinc/48/80/36/570488036.db2.gz IUTIYTOFHLGICM-FQEVSTJZSA-N 2 1 379.501 1.099 40 0 GDABMP COc1cccc(C2(O)CC[NH+](CCNC(=O)C[NH+]3CCCCCC3)CC2)c1 ZINC000012291055 221174016 /nfs/dbraw/zinc/17/40/16/221174016.db2.gz MVAZXJUIPPIIAB-UHFFFAOYSA-N 2 1 389.540 1.971 40 0 GDABMP COC(=O)CCC(=O)N1C[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245444 570224229 /nfs/dbraw/zinc/22/42/29/570224229.db2.gz ZKCAJNYXGUSRDA-BGYRXZFFSA-N 2 1 399.535 1.994 40 0 GDABMP COC(=O)CCC(=O)N1C[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245444 570224231 /nfs/dbraw/zinc/22/42/31/570224231.db2.gz ZKCAJNYXGUSRDA-BGYRXZFFSA-N 2 1 399.535 1.994 40 0 GDABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3F)C[C@@H]1C2 ZINC000306131002 570939346 /nfs/dbraw/zinc/93/93/46/570939346.db2.gz JUKMFQFKLAYLSG-JKSUJKDBSA-N 2 1 386.475 1.013 40 0 GDABMP CCc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCC[NH+](C)C)n4C[C@H]3C2)cc1 ZINC000306135166 570942090 /nfs/dbraw/zinc/94/20/90/570942090.db2.gz OJQULLTWGFHKCK-RBUKOAKNSA-N 2 1 396.539 1.436 40 0 GDABMP COc1cccc(C2(O)CC[NH+](CCNC(=O)C[NH+]3CCC(C)CC3)CC2)c1 ZINC000012291050 221174296 /nfs/dbraw/zinc/17/42/96/221174296.db2.gz LNJJNZOQLVFBER-UHFFFAOYSA-N 2 1 389.540 1.827 40 0 GDABMP C[NH+]1CCC([NH2+]C[C@H]2COCc3nc4cc(S(C)(=O)=O)ccc4n32)CC1 ZINC000096112774 222382225 /nfs/dbraw/zinc/38/22/25/222382225.db2.gz SXCPDRDSOKHJNB-AWEZNQCLSA-N 2 1 378.498 1.195 40 0 biogenic,in-vitro GDABMP COc1ccc(C[NH2+]C[C@H]2O[C@H](Cc3cc(C[NH+](C)C)on3)CC[C@@H]2O)cc1 ZINC000225284551 560036225 /nfs/dbraw/zinc/03/62/25/560036225.db2.gz CNIAHGWQSIIAAA-SESVDKBCSA-N 2 1 389.496 1.986 40 0 biogenic,in-vitro GDABMP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CC[NH+](C)CC2)cc1 ZINC000020503847 560093754 /nfs/dbraw/zinc/09/37/54/560093754.db2.gz XBSUTROOQPUSQI-JAXLGGSGSA-N 2 1 399.583 1.440 40 0 biogenic,in-vitro GDABMP COc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)cc1 ZINC000247875705 570716634 /nfs/dbraw/zinc/71/66/34/570716634.db2.gz GTCHLPUGLZBBJY-LEWJYISDSA-N 2 1 376.497 1.777 40 0 GDABMP COc1cccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)c1OC ZINC000019567602 571008894 /nfs/dbraw/zinc/00/88/94/571008894.db2.gz LAYWRKKRZJMCRM-AWEZNQCLSA-N 2 1 382.468 1.792 40 0 GDABMP COc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)cc1 ZINC000247875706 570716812 /nfs/dbraw/zinc/71/68/12/570716812.db2.gz GTCHLPUGLZBBJY-SFTDATJTSA-N 2 1 376.497 1.777 40 0 GDABMP Cc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCC[NH+](C)C)n4C[C@H]3C2)s1 ZINC000306136222 570942519 /nfs/dbraw/zinc/94/25/19/570942519.db2.gz PNCYVTZAZBVPTA-LSDHHAIUSA-N 2 1 388.541 1.244 40 0 GDABMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257330172 570782390 /nfs/dbraw/zinc/78/23/90/570782390.db2.gz XNEVCNNDSOKWAL-FQEVSTJZSA-N 2 1 382.468 1.959 40 0 GDABMP COc1ccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1OC ZINC000019560815 571005360 /nfs/dbraw/zinc/00/53/60/571005360.db2.gz VXDSQWYWACJEFE-OAHLLOKOSA-N 2 1 382.468 1.792 40 0 GDABMP C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019590837 571018716 /nfs/dbraw/zinc/01/87/16/571018716.db2.gz YMGYIWRGFMUSEY-OAQYLSRUSA-N 2 1 391.519 1.885 40 0 GDABMP C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019590837 571018717 /nfs/dbraw/zinc/01/87/17/571018717.db2.gz YMGYIWRGFMUSEY-OAQYLSRUSA-N 2 1 391.519 1.885 40 0 GDABMP CN(C)C(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008297553 221035505 /nfs/dbraw/zinc/03/55/05/221035505.db2.gz WLJAASZPFAHRAS-NRSPTQNISA-N 2 1 396.539 1.709 40 0 biogenic,in-vitro GDABMP CN1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000585269649 570238215 /nfs/dbraw/zinc/23/82/15/570238215.db2.gz GGKNGKRHQUPUTO-HSZRJFAPSA-N 2 1 396.535 1.845 40 0 GDABMP C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000585269649 570238216 /nfs/dbraw/zinc/23/82/16/570238216.db2.gz GGKNGKRHQUPUTO-HSZRJFAPSA-N 2 1 396.535 1.845 40 0 GDABMP