smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000174839173 198392519 /nfs/dbraw/zinc/39/25/19/198392519.db2.gz RLZBEQGOSGHRQE-ZDUSSCGKSA-N 2 2 316.365 1.620 10 5 DDBELP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000174839173 198392520 /nfs/dbraw/zinc/39/25/20/198392520.db2.gz RLZBEQGOSGHRQE-ZDUSSCGKSA-N 2 2 316.365 1.620 10 5 DDBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)o2)c1 ZINC000263239837 408071260 /nfs/dbraw/zinc/07/12/60/408071260.db2.gz OKQOWDGTVKZDIR-DOMZBBRYSA-N 2 2 317.345 1.525 10 5 DDBELP O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090307597 185290376 /nfs/dbraw/zinc/29/03/76/185290376.db2.gz XMXMCBFQZPYKDK-UHFFFAOYSA-N 2 2 310.785 1.338 10 5 DDBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176234389 408320428 /nfs/dbraw/zinc/32/04/28/408320428.db2.gz LTEMDNXIRRRAKJ-CYBMUJFWSA-N 2 2 318.381 1.887 10 5 DDBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176234389 408320431 /nfs/dbraw/zinc/32/04/31/408320431.db2.gz LTEMDNXIRRRAKJ-CYBMUJFWSA-N 2 2 318.381 1.887 10 5 DDBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)o2)cc1 ZINC000263267841 408082301 /nfs/dbraw/zinc/08/23/01/408082301.db2.gz RTUMKHSJBQRUHG-WFASDCNBSA-N 2 2 317.345 1.525 10 5 DDBELP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000093633718 193277795 /nfs/dbraw/zinc/27/77/95/193277795.db2.gz QZTWMMIUPAVQMG-UHFFFAOYSA-N 2 2 310.785 1.338 10 5 DDBELP C[NH+](C)C1CC[NH+](CCNc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302016536 230037654 /nfs/dbraw/zinc/03/76/54/230037654.db2.gz CJTIEYHXHQKAAS-UHFFFAOYSA-N 2 2 322.409 1.525 10 5 DDBELP CCCCNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040595089 183106594 /nfs/dbraw/zinc/10/65/94/183106594.db2.gz HVMAHNBJWKMNJL-UHFFFAOYSA-N 2 2 309.374 1.171 10 5 DDBELP [NH3+]CCc1[nH+]ccn1-c1ncc([N+](=O)[O-])cc1Br ZINC000093434612 193251839 /nfs/dbraw/zinc/25/18/39/193251839.db2.gz WMLMSWKQACTADU-UHFFFAOYSA-N 2 2 312.127 1.439 10 5 DDBELP O=[N+]([O-])c1c(NCC[NH+]2CCCCC2)ncnc1-n1cc[nH+]c1 ZINC000040622948 183110179 /nfs/dbraw/zinc/11/01/79/183110179.db2.gz MGULUOFTYGKFMZ-UHFFFAOYSA-N 2 2 317.353 1.468 10 5 DDBELP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000176223780 408315160 /nfs/dbraw/zinc/31/51/60/408315160.db2.gz GQJFDFSOJNNDER-CYBMUJFWSA-N 2 2 316.365 1.620 10 5 DDBELP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000176223780 408315163 /nfs/dbraw/zinc/31/51/63/408315163.db2.gz GQJFDFSOJNNDER-CYBMUJFWSA-N 2 2 316.365 1.620 10 5 DDBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)o2)cc1 ZINC000263267840 408081724 /nfs/dbraw/zinc/08/17/24/408081724.db2.gz RTUMKHSJBQRUHG-SWLSCSKDSA-N 2 2 317.345 1.525 10 5 DDBELP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090307415 185290161 /nfs/dbraw/zinc/29/01/61/185290161.db2.gz YZBCSMUBTPWYOB-UHFFFAOYSA-N 2 2 310.785 1.338 10 5 DDBELP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261850267 407641719 /nfs/dbraw/zinc/64/17/19/407641719.db2.gz BFIIIQMHAAXGCW-KFWWJZLASA-N 2 2 305.378 1.842 10 5 DDBELP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000174839184 198392109 /nfs/dbraw/zinc/39/21/09/198392109.db2.gz RLZBEQGOSGHRQE-CYBMUJFWSA-N 2 2 316.365 1.620 10 5 DDBELP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000174839184 198392111 /nfs/dbraw/zinc/39/21/11/198392111.db2.gz RLZBEQGOSGHRQE-CYBMUJFWSA-N 2 2 316.365 1.620 10 5 DDBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)o1 ZINC000262082671 407735604 /nfs/dbraw/zinc/73/56/04/407735604.db2.gz FJCDGMJEFMTTOO-IAQYHMDHSA-N 2 2 317.345 1.525 10 5 DDBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000178308603 408804081 /nfs/dbraw/zinc/80/40/81/408804081.db2.gz FSKOZESBHCPBBC-ZDUSSCGKSA-N 2 2 304.354 1.461 10 5 DDBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000178308603 408804084 /nfs/dbraw/zinc/80/40/84/408804084.db2.gz FSKOZESBHCPBBC-ZDUSSCGKSA-N 2 2 304.354 1.461 10 5 DDBELP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000262063156 407729499 /nfs/dbraw/zinc/72/94/99/407729499.db2.gz RIQCTNOLEXOGDG-XHDPSFHLSA-N 2 2 315.377 1.774 10 5 DDBELP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000262063156 407729503 /nfs/dbraw/zinc/72/95/03/407729503.db2.gz RIQCTNOLEXOGDG-XHDPSFHLSA-N 2 2 315.377 1.774 10 5 DDBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)o2)c1 ZINC000263239838 408069515 /nfs/dbraw/zinc/06/95/15/408069515.db2.gz OKQOWDGTVKZDIR-IUODEOHRSA-N 2 2 317.345 1.525 10 5 DDBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)o2)c1 ZINC000263239839 408071594 /nfs/dbraw/zinc/07/15/94/408071594.db2.gz OKQOWDGTVKZDIR-SWLSCSKDSA-N 2 2 317.345 1.525 10 5 DDBELP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000262531191 407859174 /nfs/dbraw/zinc/85/91/74/407859174.db2.gz PNWRIYUFCHNSKU-ZDUSSCGKSA-N 2 2 306.366 1.268 10 5 DDBELP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000262531191 407859177 /nfs/dbraw/zinc/85/91/77/407859177.db2.gz PNWRIYUFCHNSKU-ZDUSSCGKSA-N 2 2 306.366 1.268 10 5 DDBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)o1 ZINC000262082673 407734348 /nfs/dbraw/zinc/73/43/48/407734348.db2.gz FJCDGMJEFMTTOO-NHYWBVRUSA-N 2 2 317.345 1.525 10 5 DDBELP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261850280 407642248 /nfs/dbraw/zinc/64/22/48/407642248.db2.gz BFIIIQMHAAXGCW-RRFJBIMHSA-N 2 2 305.378 1.842 10 5 DDBELP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000262063154 407728009 /nfs/dbraw/zinc/72/80/09/407728009.db2.gz RIQCTNOLEXOGDG-NHYWBVRUSA-N 2 2 315.377 1.774 10 5 DDBELP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000262063154 407728011 /nfs/dbraw/zinc/72/80/11/407728011.db2.gz RIQCTNOLEXOGDG-NHYWBVRUSA-N 2 2 315.377 1.774 10 5 DDBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176234403 408319471 /nfs/dbraw/zinc/31/94/71/408319471.db2.gz LTEMDNXIRRRAKJ-ZDUSSCGKSA-N 2 2 318.381 1.887 10 5 DDBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176234403 408319474 /nfs/dbraw/zinc/31/94/74/408319474.db2.gz LTEMDNXIRRRAKJ-ZDUSSCGKSA-N 2 2 318.381 1.887 10 5 DDBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000262523811 407857372 /nfs/dbraw/zinc/85/73/72/407857372.db2.gz OOCPZSYBVVVLTG-IJLUTSLNSA-N 2 2 304.350 1.202 10 5 DDBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000262523811 407857377 /nfs/dbraw/zinc/85/73/77/407857377.db2.gz OOCPZSYBVVVLTG-IJLUTSLNSA-N 2 2 304.350 1.202 10 5 DDBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000178308855 408803362 /nfs/dbraw/zinc/80/33/62/408803362.db2.gz CBPCOOCHUFTSHP-CYBMUJFWSA-N 2 2 304.354 1.461 10 5 DDBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000178308855 408803364 /nfs/dbraw/zinc/80/33/64/408803364.db2.gz CBPCOOCHUFTSHP-CYBMUJFWSA-N 2 2 304.354 1.461 10 5 DDBELP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000176223765 408314253 /nfs/dbraw/zinc/31/42/53/408314253.db2.gz GQJFDFSOJNNDER-ZDUSSCGKSA-N 2 2 316.365 1.620 10 5 DDBELP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000176223765 408314260 /nfs/dbraw/zinc/31/42/60/408314260.db2.gz GQJFDFSOJNNDER-ZDUSSCGKSA-N 2 2 316.365 1.620 10 5 DDBELP [NH3+]CCc1[nH+]ccn1-c1ncc(Br)cc1[N+](=O)[O-] ZINC000052304653 183857513 /nfs/dbraw/zinc/85/75/13/183857513.db2.gz JIMLSIULLRQRJI-UHFFFAOYSA-N 2 2 312.127 1.439 10 5 DDBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174851183 198393116 /nfs/dbraw/zinc/39/31/16/198393116.db2.gz DWSBXIOZVPWRCU-ZDUSSCGKSA-N 2 2 318.381 1.887 10 5 DDBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174851183 198393117 /nfs/dbraw/zinc/39/31/17/198393117.db2.gz DWSBXIOZVPWRCU-ZDUSSCGKSA-N 2 2 318.381 1.887 10 5 DDBELP CC(C)CCNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040623742 183109861 /nfs/dbraw/zinc/10/98/61/183109861.db2.gz MPYSECBNBQICSU-UHFFFAOYSA-N 2 2 323.401 1.417 10 5 DDBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)o1 ZINC000262082669 407735771 /nfs/dbraw/zinc/73/57/71/407735771.db2.gz FJCDGMJEFMTTOO-ABAIWWIYSA-N 2 2 317.345 1.525 10 5 DDBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)o2)cc1 ZINC000263267839 408081615 /nfs/dbraw/zinc/08/16/15/408081615.db2.gz RTUMKHSJBQRUHG-IUODEOHRSA-N 2 2 317.345 1.525 10 5 DDBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)o2)cc1 ZINC000263267838 408081379 /nfs/dbraw/zinc/08/13/79/408081379.db2.gz RTUMKHSJBQRUHG-DOMZBBRYSA-N 2 2 317.345 1.525 10 5 DDBELP O=[N+]([O-])c1ccc(C[NH+]2CCN(C3C[NH2+]C3)CC2)c(Cl)c1 ZINC000090307593 185290110 /nfs/dbraw/zinc/29/01/10/185290110.db2.gz AINQFDWAKCUHBF-UHFFFAOYSA-N 2 2 310.785 1.338 10 5 DDBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)o2)c1 ZINC000263239840 163936485 /nfs/dbraw/zinc/93/64/85/163936485.db2.gz OKQOWDGTVKZDIR-WFASDCNBSA-N 2 2 317.345 1.525 10 5 DDBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000262523814 407855814 /nfs/dbraw/zinc/85/58/14/407855814.db2.gz OOCPZSYBVVVLTG-QJPTWQEYSA-N 2 2 304.350 1.202 10 5 DDBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000262523814 407855818 /nfs/dbraw/zinc/85/58/18/407855818.db2.gz OOCPZSYBVVVLTG-QJPTWQEYSA-N 2 2 304.350 1.202 10 5 DDBELP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000262531189 407858254 /nfs/dbraw/zinc/85/82/54/407858254.db2.gz PNWRIYUFCHNSKU-CYBMUJFWSA-N 2 2 306.366 1.268 10 5 DDBELP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000262531189 407858258 /nfs/dbraw/zinc/85/82/58/407858258.db2.gz PNWRIYUFCHNSKU-CYBMUJFWSA-N 2 2 306.366 1.268 10 5 DDBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000178308624 408802965 /nfs/dbraw/zinc/80/29/65/408802965.db2.gz FSKOZESBHCPBBC-CYBMUJFWSA-N 2 2 304.354 1.461 10 5 DDBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000178308624 408802971 /nfs/dbraw/zinc/80/29/71/408802971.db2.gz FSKOZESBHCPBBC-CYBMUJFWSA-N 2 2 304.354 1.461 10 5 DDBELP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261850274 407640119 /nfs/dbraw/zinc/64/01/19/407640119.db2.gz BFIIIQMHAAXGCW-RBSFLKMASA-N 2 2 305.378 1.842 10 5 DDBELP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261850286 407640203 /nfs/dbraw/zinc/64/02/03/407640203.db2.gz BFIIIQMHAAXGCW-ZNMIVQPWSA-N 2 2 305.378 1.842 10 5 DDBELP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000262063148 407728525 /nfs/dbraw/zinc/72/85/25/407728525.db2.gz RIQCTNOLEXOGDG-ABAIWWIYSA-N 2 2 315.377 1.774 10 5 DDBELP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000262063148 407728528 /nfs/dbraw/zinc/72/85/28/407728528.db2.gz RIQCTNOLEXOGDG-ABAIWWIYSA-N 2 2 315.377 1.774 10 5 DDBELP O=[N+]([O-])c1ccc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000077120154 185110363 /nfs/dbraw/zinc/11/03/63/185110363.db2.gz MLEOYKSFECTOHH-UHFFFAOYSA-N 2 2 315.377 1.609 10 5 DDBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000262523822 407857029 /nfs/dbraw/zinc/85/70/29/407857029.db2.gz OOCPZSYBVVVLTG-SDDRHHMPSA-N 2 2 304.350 1.202 10 5 DDBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000262523822 407857036 /nfs/dbraw/zinc/85/70/36/407857036.db2.gz OOCPZSYBVVVLTG-SDDRHHMPSA-N 2 2 304.350 1.202 10 5 DDBELP O=[N+]([O-])c1cccc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000077120192 185110328 /nfs/dbraw/zinc/11/03/28/185110328.db2.gz GQMATQRDPZDKNE-UHFFFAOYSA-N 2 2 315.377 1.609 10 5 DDBELP CCCCN(C)c1nc[nH+]c(NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040611999 183108794 /nfs/dbraw/zinc/10/87/94/183108794.db2.gz JXVNHXYSFHJAHC-UHFFFAOYSA-N 2 2 323.401 1.195 10 5 DDBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000178308840 408803008 /nfs/dbraw/zinc/80/30/08/408803008.db2.gz CBPCOOCHUFTSHP-ZDUSSCGKSA-N 2 2 304.354 1.461 10 5 DDBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000178308840 408803012 /nfs/dbraw/zinc/80/30/12/408803012.db2.gz CBPCOOCHUFTSHP-ZDUSSCGKSA-N 2 2 304.354 1.461 10 5 DDBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000262523183 407857394 /nfs/dbraw/zinc/85/73/94/407857394.db2.gz OOCPZSYBVVVLTG-GRYCIOLGSA-N 2 2 304.350 1.202 10 5 DDBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000262523183 407857401 /nfs/dbraw/zinc/85/74/01/407857401.db2.gz OOCPZSYBVVVLTG-GRYCIOLGSA-N 2 2 304.350 1.202 10 5 DDBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174851174 198392894 /nfs/dbraw/zinc/39/28/94/198392894.db2.gz DWSBXIOZVPWRCU-CYBMUJFWSA-N 2 2 318.381 1.887 10 5 DDBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174851174 198392895 /nfs/dbraw/zinc/39/28/95/198392895.db2.gz DWSBXIOZVPWRCU-CYBMUJFWSA-N 2 2 318.381 1.887 10 5 DDBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)o1 ZINC000262082674 407734142 /nfs/dbraw/zinc/73/41/42/407734142.db2.gz FJCDGMJEFMTTOO-XHDPSFHLSA-N 2 2 317.345 1.525 10 5 DDBELP