smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2cc3cc(C)c(N(C)C)cc3[n+](C)c2cc1N(C)C ZINC000004522577 181119702 /nfs/dbraw/zinc/11/97/02/181119702.db2.gz CCYBHPRHENFKBZ-UHFFFAOYSA-N 1 0 308.449 3.566 40 5 DHBBRO O=[N+]([O-])c1ccc(C[n+]2cccc3ccc4cccnc4c32)cc1 ZINC000000307874 563607718 /nfs/dbraw/zinc/60/77/18/563607718.db2.gz AXQUMZANGFHURI-UHFFFAOYSA-N 1 0 316.340 3.632 40 5 DHBBRO CCCCCC[C@H](C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001710507 563866274 /nfs/dbraw/zinc/86/62/74/563866274.db2.gz FWZLDNQGSMGLEJ-AWEZNQCLSA-N 1 0 322.405 3.700 40 5 DHBBRO Nc1nc(-c2ccc(F)cc2)cc2c3ccccc3oc(=[NH2+])c12 ZINC000033728838 563923077 /nfs/dbraw/zinc/92/30/77/563923077.db2.gz XTGCNCQZZINWSX-UHFFFAOYSA-N 1 0 305.312 3.849 40 5 DHBBRO CN(C)C(=O)Oc1ccc(-c2ccccc2)cc1C[N+](C)(C)C ZINC000001568339 717088465 /nfs/dbraw/zinc/08/84/65/717088465.db2.gz RZCYXCKVVNUZKW-UHFFFAOYSA-N 1 0 313.421 3.620 40 5 DHBBRO CC[N+](C)(CC)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036631437 563456419 /nfs/dbraw/zinc/45/64/19/563456419.db2.gz BILSPGYOQBTUIO-IBGZPJMESA-N 1 0 314.449 3.580 40 5 DHBBRO CCCCCC[C@H](C)[NH2+]CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001710506 563866126 /nfs/dbraw/zinc/86/61/26/563866126.db2.gz STNPJZWMQBBXKU-AWEZNQCLSA-N 1 0 322.405 3.700 40 5 DHBBRO COc1ccc2cc3c4cc(OC)c(OC)cc4cc[n+]3cc2c1 ZINC000001596113 563287071 /nfs/dbraw/zinc/28/70/71/563287071.db2.gz UFCQAXFBOOOVOS-UHFFFAOYSA-N 1 0 320.368 3.758 40 5 DHBBRO [NH3+]CCCCCCNC(=O)c1c2ccccc2nc2ccccc21 ZINC000034533118 563450676 /nfs/dbraw/zinc/45/06/76/563450676.db2.gz PGVOZVNUQGIFDY-UHFFFAOYSA-N 1 0 321.424 3.637 40 5 DHBBRO O=[N+]([O-])c1ccc(C[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000000352549 563590010 /nfs/dbraw/zinc/59/00/10/563590010.db2.gz HSUIIAKBFSJZOD-UHFFFAOYSA-N 1 0 305.357 3.521 40 5 DHBBRO Cc1c2ccccc2oc1C(=O)O[C@@H](C)[C@@H](C)C[N+](C)(C)C ZINC000005007618 181190010 /nfs/dbraw/zinc/19/00/10/181190010.db2.gz VTBOGIBYHAFOLN-JSGCOSHPSA-N 1 0 304.410 3.629 40 5 DHBBRO CC[C@@](C)(C(=O)OCC[N+]1(C)CCCCC1)c1ccccc1 ZINC000005469134 181247674 /nfs/dbraw/zinc/24/76/74/181247674.db2.gz RFZQILREQIRYIP-LJQANCHMSA-N 1 0 304.454 3.528 40 5 DHBBRO Cc1ccccc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000016362701 333199533 /nfs/dbraw/zinc/19/95/33/333199533.db2.gz GUOLRSXPMKLXGI-UHFFFAOYSA-N 1 0 319.792 3.758 40 5 DHBBRO CC(C)C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000001557599 563284824 /nfs/dbraw/zinc/28/48/24/563284824.db2.gz KWCRBNYQJXMRKN-UHFFFAOYSA-N 1 0 303.253 3.996 40 5 DHBBRO O=C1c2ccc([N+](=O)[O-])cc2[N+](=O)C1c1cccc2ccccc21 ZINC000003844826 181048254 /nfs/dbraw/zinc/04/82/54/181048254.db2.gz GPEZUKVHAWQPFY-UHFFFAOYSA-N 1 0 318.288 3.575 40 5 DHBBRO C[N+]12CCCC[C@@H]1[C@H](COC(=O)c1ccccc1Cl)CCC2 ZINC000004028642 181064718 /nfs/dbraw/zinc/06/47/18/181064718.db2.gz JYPFMETULURRPP-ZUIVQFGISA-N 1 0 322.856 3.906 40 5 DHBBRO Cc1c2ccccc2oc1C(=O)O[C@@H](C)[C@H](C)C[N+](C)(C)C ZINC000005007620 181190172 /nfs/dbraw/zinc/19/01/72/181190172.db2.gz VTBOGIBYHAFOLN-OCCSQVGLSA-N 1 0 304.410 3.629 40 5 DHBBRO COc1ccc2c(c1OC)[C@]13CCCC[C@H]1[C@H](C2)[N+](C)(C)CC3 ZINC000005158833 181211806 /nfs/dbraw/zinc/21/18/06/181211806.db2.gz HCTMPJXTTDVHLR-FTRWYGJKSA-N 1 0 316.465 3.537 40 5 DHBBRO COc1ccc(-c2nn(-c3ccccc3)cc2C[N+](C)(C)C)cc1 ZINC000027987049 182502579 /nfs/dbraw/zinc/50/25/79/182502579.db2.gz RDYKAWVEBKSLCV-UHFFFAOYSA-N 1 0 322.432 3.754 40 5 DHBBRO c1ccc2cc3c(NCCCN4CCOCC4)cc[nH+]c3cc2c1 ZINC000002023758 563298627 /nfs/dbraw/zinc/29/86/27/563298627.db2.gz PUEOFOLGUJMAOV-UHFFFAOYSA-N 1 0 321.424 3.522 40 5 DHBBRO CC(C)[N+](C)(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036631478 563456354 /nfs/dbraw/zinc/45/63/54/563456354.db2.gz ZBJWNJLNMISEGC-LJQANCHMSA-N 1 0 314.449 3.578 40 5 DHBBRO Cc1c2ccccc2oc1C(=O)O[C@H](C)[C@H](C)C[N+](C)(C)C ZINC000005007622 181189989 /nfs/dbraw/zinc/18/99/89/181189989.db2.gz VTBOGIBYHAFOLN-TZMCWYRMSA-N 1 0 304.410 3.629 40 5 DHBBRO COc1ccc2c(c1)c1c(c(C)c3cc[n+](C)cc3c1C)n2C ZINC000001578888 257231343 /nfs/dbraw/zinc/23/13/43/257231343.db2.gz PSMLZEJQSPVYCO-UHFFFAOYSA-N 1 0 305.401 3.935 40 5 DHBBRO Cc1ccc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000000819096 180835508 /nfs/dbraw/zinc/83/55/08/180835508.db2.gz GHDVGGXHZQRFQL-UHFFFAOYSA-N 1 0 322.368 3.916 40 5 DHBBRO C[N@H+](Cc1cc([N+](=O)[O-])c([O-])c2ncccc12)C1CCCCC1 ZINC000005509856 181251300 /nfs/dbraw/zinc/25/13/00/181251300.db2.gz AMOQMMSTNWRZJY-UHFFFAOYSA-N 1 0 315.373 3.613 40 5 DHBBRO CC[N+](CC)(CC)CCOC(=O)Cc1cccc2ccccc21 ZINC000005469432 181247423 /nfs/dbraw/zinc/24/74/23/181247423.db2.gz SXMUYUIUWNNTFE-UHFFFAOYSA-N 1 0 314.449 3.802 40 5 DHBBRO CC(C)C[N+]1(Cc2ccc(Cl)cc2Cl)CCOCC1 ZINC000001557597 563284864 /nfs/dbraw/zinc/28/48/64/563284864.db2.gz SFRWTXCDHSJPLS-UHFFFAOYSA-N 1 0 303.253 3.996 40 5 DHBBRO O=[N+]([O-])c1ccc(/C(=C/c2ccccc2)[n+]2ccccc2)cc1 ZINC000001712334 180891154 /nfs/dbraw/zinc/89/11/54/180891154.db2.gz GYOGMNSFVTXCRD-CYVLTUHYSA-N 1 0 303.341 3.929 40 5 DHBBRO COc1cc2c[n+](C)c3c4ccccc4ccc3c2cc1OC ZINC000001766256 563295219 /nfs/dbraw/zinc/29/52/19/563295219.db2.gz NWTDWICXAPZOEE-UHFFFAOYSA-N 1 0 304.369 3.988 40 5 DHBBRO CC[C@@H]1C[N@+]2(C)CC[C@@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000585162772 563524167 /nfs/dbraw/zinc/52/41/67/563524167.db2.gz CVOQEJHPIPVQRU-DJPWZEKMSA-O 1 0 309.433 3.731 40 5 DHBBRO C[N+]12CCCC[C@@H]1[C@H](COC(=O)/C=C/c1ccccc1)CCC2 ZINC000004028514 181064526 /nfs/dbraw/zinc/06/45/26/181064526.db2.gz WTBBSBSTSYXEEI-DPJUZXKZSA-N 1 0 314.449 3.652 40 5 DHBBRO CCCC[C@@H](CC)C[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006379572 181335878 /nfs/dbraw/zinc/33/58/78/181335878.db2.gz WYFBPLDBCASCHX-CQSZACIVSA-N 1 0 322.405 3.558 40 5 DHBBRO C/C=C1\C[N+]2(C)CC[C@]34c5ccccc5N5CCC=C([C@H]53)[C@H]1C[C@@H]42 ZINC000004558683 563637057 /nfs/dbraw/zinc/63/70/57/563637057.db2.gz SNZBRPHFZNCAHW-KTQZCHCGSA-N 1 0 319.472 3.642 40 5 DHBBRO CC(C)(C)c1ccc(OC[C@H](O)C[N+](C)(C)C)c(C(C)(C)C)c1 ZINC000226070698 201765518 /nfs/dbraw/zinc/76/55/18/201765518.db2.gz ASXZCRCTLDRKFK-MRXNPFEDSA-N 1 0 322.513 3.728 40 5 DHBBRO CC(C)(C)c1ccc(OC[C@@H](O)C[N+](C)(C)C)c(C(C)(C)C)c1 ZINC000226070690 563604503 /nfs/dbraw/zinc/60/45/03/563604503.db2.gz ASXZCRCTLDRKFK-INIZCTEOSA-N 1 0 322.513 3.728 40 5 DHBBRO C[N+]1(Cc2ccccc2)CCC(C(=O)OCC2CCCC2)CC1 ZINC000013818263 563663490 /nfs/dbraw/zinc/66/34/90/563663490.db2.gz RFPXAPGVFRTTHX-UHFFFAOYSA-N 1 0 316.465 3.777 40 5 in-vitro DHBBRO Cc1cccc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000000819093 563719294 /nfs/dbraw/zinc/71/92/94/563719294.db2.gz FWFIVDUACMHOAO-UHFFFAOYSA-N 1 0 322.368 3.916 40 5 DHBBRO Cc1c2ccccc2oc1C(=O)O[C@H](C)[C@@H](C)C[N+](C)(C)C ZINC000005007619 181189812 /nfs/dbraw/zinc/18/98/12/181189812.db2.gz VTBOGIBYHAFOLN-GXTWGEPZSA-N 1 0 304.410 3.629 40 5 DHBBRO CC(=O)C1=C(C)[NH2+]N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000016607908 182053581 /nfs/dbraw/zinc/05/35/81/182053581.db2.gz VCGSOKRRYUDDBX-QZTJIDSGSA-N 1 0 323.352 3.737 40 5 DHBBRO C=C(C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C(C)C)c1ccccc1 ZINC000196128819 563920192 /nfs/dbraw/zinc/92/01/92/563920192.db2.gz APBFGXKTZSOWLK-FUUYNRHESA-N 1 0 314.449 3.791 40 5 DHBBRO OCc1c2c(cc3ccc(Cl)cc31)C[N+]1(C2)CCCCC1 ZINC000026505187 717114073 /nfs/dbraw/zinc/11/40/73/717114073.db2.gz NZNAIKAFYRYJRW-UHFFFAOYSA-N 1 0 302.825 4.000 40 5 DHBBRO c1ccc2c(c1)[nH]c1c2c(N2CCOCC2)[nH+]c2ccccc12 ZINC000013116351 563377805 /nfs/dbraw/zinc/37/78/05/563377805.db2.gz DGTKIMFDUXFOIV-UHFFFAOYSA-N 1 0 303.365 3.706 40 5 DHBBRO COc1ccc2c(c1OC)[C@]13CCCC[C@@H]1[C@H](C2)[N+](C)(C)CC3 ZINC000001601625 563287368 /nfs/dbraw/zinc/28/73/68/563287368.db2.gz HCTMPJXTTDVHLR-GUXCAODWSA-N 1 0 316.465 3.537 40 5 DHBBRO CC(C)[N+](C)(C)C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000001567728 180874031 /nfs/dbraw/zinc/87/40/31/180874031.db2.gz SFMLZZKCDDWVSE-SFHVURJKSA-N 1 0 314.449 3.578 40 5 DHBBRO CC(C)c1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006858973 181398717 /nfs/dbraw/zinc/39/87/17/181398717.db2.gz ABEIGDDIYAOFHM-UHFFFAOYSA-N 1 0 313.401 3.920 40 5 DHBBRO Cc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000008550086 333010602 /nfs/dbraw/zinc/01/06/02/333010602.db2.gz UKQPDLVSJFUBFI-UHFFFAOYSA-N 1 0 319.792 3.758 40 5 DHBBRO CC[C@@H]1C[N@+]2(C)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000585162771 563524034 /nfs/dbraw/zinc/52/40/34/563524034.db2.gz CVOQEJHPIPVQRU-CXFLLLHKSA-O 1 0 309.433 3.731 40 5 DHBBRO CC(C)(C)C[NH2+]CCOc1cccc2nc3ccccc3nc21 ZINC000085390662 563569035 /nfs/dbraw/zinc/56/90/35/563569035.db2.gz AWROZAFRUZEHAL-UHFFFAOYSA-N 1 0 309.413 3.798 40 5 DHBBRO CCCC[C@H](CC)C[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001710505 563866324 /nfs/dbraw/zinc/86/63/24/563866324.db2.gz WYFBPLDBCASCHX-AWEZNQCLSA-N 1 0 322.405 3.558 40 5 DHBBRO Cc1cc2nc3cc(C)c(=[NH2+])cc-3n(-c3ccccc3)c2cc1N ZINC000035986213 563891826 /nfs/dbraw/zinc/89/18/26/563891826.db2.gz WGTLSSHIGXNQLH-UHFFFAOYSA-N 1 0 314.392 3.809 40 5 DHBBRO C[N+](C)(C)CCO[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000005930235 181297014 /nfs/dbraw/zinc/29/70/14/181297014.db2.gz VDYMJMSSLZRDRR-QGZVFWFLSA-N 1 0 305.829 3.547 40 5 DHBBRO CCCCCC[C@@H](C)[NH2+]CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005973089 181302662 /nfs/dbraw/zinc/30/26/62/181302662.db2.gz STNPJZWMQBBXKU-CQSZACIVSA-N 1 0 322.405 3.700 40 5 DHBBRO CC(=O)C1=C(C)[NH2+]N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000016607914 182053650 /nfs/dbraw/zinc/05/36/50/182053650.db2.gz VCGSOKRRYUDDBX-ROUUACIJSA-N 1 0 323.352 3.737 40 5 DHBBRO O=[N+]([O-])c1ccc(/C(=C\c2ccccc2)[n+]2ccccc2)cc1 ZINC000001712333 180890904 /nfs/dbraw/zinc/89/09/04/180890904.db2.gz GYOGMNSFVTXCRD-XDJHFCHBSA-N 1 0 303.341 3.929 40 5 DHBBRO CSc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007276708 333003264 /nfs/dbraw/zinc/00/32/64/333003264.db2.gz WROSWNMILMBMFG-UHFFFAOYSA-N 1 0 317.414 3.518 40 5 DHBBRO CC(C)[N+](C)(C)C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000003649737 181043479 /nfs/dbraw/zinc/04/34/79/181043479.db2.gz SFMLZZKCDDWVSE-GOSISDBHSA-N 1 0 314.449 3.578 40 5 DHBBRO CCCCCC[C@@H](C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005973088 181302703 /nfs/dbraw/zinc/30/27/03/181302703.db2.gz FWZLDNQGSMGLEJ-CQSZACIVSA-N 1 0 322.405 3.700 40 5 DHBBRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2nc3ccccc3o2)C1 ZINC000035446536 563867393 /nfs/dbraw/zinc/86/73/93/563867393.db2.gz ZTRLJWKKWVSSMJ-AWEZNQCLSA-N 1 0 323.352 3.726 40 5 biogenic,in-vitro DHBBRO C[N+](C)(C)CCO[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000001675083 180886652 /nfs/dbraw/zinc/88/66/52/180886652.db2.gz VDYMJMSSLZRDRR-KRWDZBQOSA-N 1 0 305.829 3.547 40 5 DHBBRO CCC[n+]1cccc(-c2nc3cc([N+](=O)[O-])cc(CC)c3o2)c1 ZINC000226234663 563604759 /nfs/dbraw/zinc/60/47/59/563604759.db2.gz MMOKFUZSZITZDT-UHFFFAOYSA-N 1 0 312.349 3.663 40 5 DHBBRO C[N+]12CCCC[C@@H]1[C@H](COC(=O)c1ccc(Cl)cc1)CCC2 ZINC000004028769 181064329 /nfs/dbraw/zinc/06/43/29/181064329.db2.gz UHLGCXYOJPRRIZ-DAPIJDQBSA-N 1 0 322.856 3.906 40 5 DHBBRO Cc1ccc2ccc3c(CC[NH+](C)C)cc4c(c3c2c1O)OCO4 ZINC000001563633 180873143 /nfs/dbraw/zinc/87/31/43/180873143.db2.gz BULYANKWHYEOPH-UHFFFAOYSA-N 1 0 323.392 3.840 40 5 DHBBRO CC(=O)C1=C(C)[NH2+]N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000016607910 182053647 /nfs/dbraw/zinc/05/36/47/182053647.db2.gz VCGSOKRRYUDDBX-ZWKOTPCHSA-N 1 0 323.352 3.737 40 5 DHBBRO Cc1cc2nc3c4ccccc4n(CC[NH+](C)C)c3nc2cc1C ZINC000000024937 563211141 /nfs/dbraw/zinc/21/11/41/563211141.db2.gz FPLSGFJELWCFTH-UHFFFAOYSA-N 1 0 318.424 3.916 40 5 DHBBRO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccccc2F)c(Cl)c1 ZINC000016449668 563877020 /nfs/dbraw/zinc/87/70/20/563877020.db2.gz WPCUJKLIIWPKIN-UHFFFAOYSA-N 1 0 323.755 3.589 40 5 DHBBRO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000008436613 563948547 /nfs/dbraw/zinc/94/85/47/563948547.db2.gz PZXWDNQZHJRUDZ-UHFFFAOYSA-N 1 0 321.380 3.950 40 5 DHBBRO O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCN(Cc1ccccc1)C3 ZINC000068605548 563928658 /nfs/dbraw/zinc/92/86/58/563928658.db2.gz POGCQEBHWYPVRZ-UHFFFAOYSA-N 1 0 307.353 3.634 40 5 DHBBRO Cc1ccccc1C[N+](C)(C)CCC(=O)c1ccc(F)cc1 ZINC000000027658 563497955 /nfs/dbraw/zinc/49/79/55/563497955.db2.gz JEIFCSKLZKMROP-UHFFFAOYSA-N 1 0 300.397 3.984 40 5 DHBBRO Cc1ccccc1C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 ZINC000002944538 563920803 /nfs/dbraw/zinc/92/08/03/563920803.db2.gz ACPFNADODZHAHS-HYJPWMOMSA-N 1 0 302.438 3.561 40 5 DHBBRO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000008417999 563948617 /nfs/dbraw/zinc/94/86/17/563948617.db2.gz PAWZYXAYEYGYDL-UHFFFAOYSA-N 1 0 323.755 3.589 40 5 DHBBRO CC[C@](C)(C(=O)OCC[N+]1(C)CCCCC1)c1ccccc1 ZINC000005468322 181247591 /nfs/dbraw/zinc/24/75/91/181247591.db2.gz RFZQILREQIRYIP-IBGZPJMESA-N 1 0 304.454 3.528 40 5 DHBBRO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccc(F)cc2)c(Cl)c1 ZINC000016401586 333204082 /nfs/dbraw/zinc/20/40/82/333204082.db2.gz ZGJSZCNXPQOOHS-UHFFFAOYSA-N 1 0 323.755 3.589 40 5 DHBBRO C[N+]12CCCC[C@@H]1[C@H](COC(=O)c1cccc(Cl)c1)CCC2 ZINC000004028453 181064251 /nfs/dbraw/zinc/06/42/51/181064251.db2.gz MLKIWKJPVBEIBD-DAPIJDQBSA-N 1 0 322.856 3.906 40 5 DHBBRO CC(C)[N+](C)(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036631477 563456339 /nfs/dbraw/zinc/45/63/39/563456339.db2.gz ZBJWNJLNMISEGC-IBGZPJMESA-N 1 0 314.449 3.578 40 5 DHBBRO CC(=O)c1ccc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000071823583 1016150489 /nfs/dbraw/zinc/15/04/89/1016150489.db2.gz IWMFNOXVBRGXAM-UHFFFAOYSA-N 1 0 319.405 3.519 40 5 DHBBRO CC[N+](C)(CC)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036631438 563456638 /nfs/dbraw/zinc/45/66/38/563456638.db2.gz BILSPGYOQBTUIO-LJQANCHMSA-N 1 0 314.449 3.580 40 5 DHBBRO CC(=O)C1=C(C)[NH2+]N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000016607912 182053552 /nfs/dbraw/zinc/05/35/52/182053552.db2.gz VCGSOKRRYUDDBX-MSOLQXFVSA-N 1 0 323.352 3.737 40 5 DHBBRO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cccs2)c(Cl)c1 ZINC000016430617 333204135 /nfs/dbraw/zinc/20/41/35/333204135.db2.gz AQSXMWPTVMIUDJ-UHFFFAOYSA-N 1 0 311.794 3.511 40 5 DHBBRO COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3[N+](C)(C)CC2 ZINC000013481260 563427399 /nfs/dbraw/zinc/42/73/99/563427399.db2.gz NJSAZXBJMATEKS-MRXNPFEDSA-N 1 0 310.417 3.601 40 5 biogenic,in-vitro DHBBRO