smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCc2ccccc21 ZINC000047406656 206080746 /nfs/dbraw/zinc/08/07/46/206080746.db2.gz BFJJSCNVFWPROQ-SFHVURJKSA-N 1 1 364.405 4.154 50 5 FIBAMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCc2ccccc21 ZINC000047406656 206080749 /nfs/dbraw/zinc/08/07/49/206080749.db2.gz BFJJSCNVFWPROQ-SFHVURJKSA-N 1 1 364.405 4.154 50 5 FIBAMO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000026644491 206444747 /nfs/dbraw/zinc/44/47/47/206444747.db2.gz OCVUFNYILJFTLH-UHFFFAOYSA-N 1 1 352.434 4.307 50 5 FIBAMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000026231546 571160209 /nfs/dbraw/zinc/16/02/09/571160209.db2.gz VOYKQRSFHICTSU-INIZCTEOSA-N 1 1 359.451 4.130 50 5 FIBAMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593478 571323605 /nfs/dbraw/zinc/32/36/05/571323605.db2.gz AOUWOKICYYNHKK-IRXDYDNUSA-N 1 1 373.522 4.480 50 5 FIBAMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593478 571323606 /nfs/dbraw/zinc/32/36/06/571323606.db2.gz AOUWOKICYYNHKK-IRXDYDNUSA-N 1 1 373.522 4.480 50 5 FIBAMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593478 571323607 /nfs/dbraw/zinc/32/36/07/571323607.db2.gz AOUWOKICYYNHKK-IRXDYDNUSA-N 1 1 373.522 4.480 50 5 FIBAMO O=C(C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000048326165 205158180 /nfs/dbraw/zinc/15/81/80/205158180.db2.gz VTOMCQRCVSESQW-IBGZPJMESA-N 1 1 365.433 4.075 50 5 FIBAMO O=[N+]([O-])c1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1Cl ZINC000004977616 204182082 /nfs/dbraw/zinc/18/20/82/204182082.db2.gz UEFQOYOVRSPYMX-QPJJXVBHSA-N 1 1 371.868 4.079 50 5 FIBAMO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000004990261 204183687 /nfs/dbraw/zinc/18/36/87/204183687.db2.gz LBSXTZCCTRWOJC-QPJJXVBHSA-N 1 1 371.868 4.079 50 5 FIBAMO CCCCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055292307 136126323 /nfs/dbraw/zinc/12/63/23/136126323.db2.gz ANFHHVPBQKCVEK-UHFFFAOYSA-N 1 1 369.465 4.096 50 5 FIBAMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004980483 570569754 /nfs/dbraw/zinc/56/97/54/570569754.db2.gz FRLKKQDWCIETBR-GQCTYLIASA-N 1 1 357.841 4.084 50 5 FIBAMO CC(C)c1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000012857712 571129406 /nfs/dbraw/zinc/12/94/06/571129406.db2.gz GFGUANWWNHLZTJ-UHFFFAOYSA-N 1 1 356.422 4.217 50 5 FIBAMO CC(C)c1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000012857712 571129408 /nfs/dbraw/zinc/12/94/08/571129408.db2.gz GFGUANWWNHLZTJ-UHFFFAOYSA-N 1 1 356.422 4.217 50 5 FIBAMO Cc1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000048374895 205162507 /nfs/dbraw/zinc/16/25/07/205162507.db2.gz HDFFOWLVDBVSTC-MRXNPFEDSA-N 1 1 351.406 4.424 50 5 FIBAMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000084177538 571077055 /nfs/dbraw/zinc/07/70/55/571077055.db2.gz BYAWLZCLGBUDRB-QGZVFWFLSA-N 1 1 373.497 4.020 50 5 FIBAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012550180 571179234 /nfs/dbraw/zinc/17/92/34/571179234.db2.gz HJMGDDZLRYKQEE-HNNXBMFYSA-N 1 1 368.437 4.024 50 5 FIBAMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000084177535 571077064 /nfs/dbraw/zinc/07/70/64/571077064.db2.gz BYAWLZCLGBUDRB-KRWDZBQOSA-N 1 1 373.497 4.020 50 5 FIBAMO Cc1c(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000012935854 571150624 /nfs/dbraw/zinc/15/06/24/571150624.db2.gz ZRBHEPHYYNUCGD-UHFFFAOYSA-N 1 1 363.417 4.127 50 5 FIBAMO Cc1c(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000012935854 571150626 /nfs/dbraw/zinc/15/06/26/571150626.db2.gz ZRBHEPHYYNUCGD-UHFFFAOYSA-N 1 1 363.417 4.127 50 5 FIBAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012549906 571179086 /nfs/dbraw/zinc/17/90/86/571179086.db2.gz QXSPSFRNOMJHAZ-HNNXBMFYSA-N 1 1 368.437 4.024 50 5 FIBAMO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000004990258 204183031 /nfs/dbraw/zinc/18/30/31/204183031.db2.gz MMLALFHMAFFDEE-QPJJXVBHSA-N 1 1 371.868 4.079 50 5 FIBAMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000026231541 204848257 /nfs/dbraw/zinc/84/82/57/204848257.db2.gz VOYKQRSFHICTSU-MRXNPFEDSA-N 1 1 359.451 4.130 50 5 FIBAMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593476 571323636 /nfs/dbraw/zinc/32/36/36/571323636.db2.gz AOUWOKICYYNHKK-DLBZAZTESA-N 1 1 373.522 4.480 50 5 FIBAMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593476 571323637 /nfs/dbraw/zinc/32/36/37/571323637.db2.gz AOUWOKICYYNHKK-DLBZAZTESA-N 1 1 373.522 4.480 50 5 FIBAMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593476 571323638 /nfs/dbraw/zinc/32/36/38/571323638.db2.gz AOUWOKICYYNHKK-DLBZAZTESA-N 1 1 373.522 4.480 50 5 FIBAMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000040155729 571087374 /nfs/dbraw/zinc/08/73/74/571087374.db2.gz LEMMGXPLOBPUSQ-CYBMUJFWSA-N 1 1 373.840 4.412 50 5 FIBAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000040155729 571087375 /nfs/dbraw/zinc/08/73/75/571087375.db2.gz LEMMGXPLOBPUSQ-CYBMUJFWSA-N 1 1 373.840 4.412 50 5 FIBAMO COc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000055142285 571116924 /nfs/dbraw/zinc/11/69/24/571116924.db2.gz LACJHFRESJWWQX-UHFFFAOYSA-N 1 1 372.396 4.040 50 5 FIBAMO COc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000055142285 571116929 /nfs/dbraw/zinc/11/69/29/571116929.db2.gz LACJHFRESJWWQX-UHFFFAOYSA-N 1 1 372.396 4.040 50 5 FIBAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012549903 571179104 /nfs/dbraw/zinc/17/91/04/571179104.db2.gz QXSPSFRNOMJHAZ-OAHLLOKOSA-N 1 1 368.437 4.024 50 5 FIBAMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])c2cnccc12)Cc1ccccc1 ZINC000012635698 571322555 /nfs/dbraw/zinc/32/25/55/571322555.db2.gz JDQCDUQYZLPWIA-UHFFFAOYSA-N 1 1 350.422 4.077 50 5 FIBAMO Cc1ccc(C)c(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000023281437 136152470 /nfs/dbraw/zinc/15/24/70/136152470.db2.gz MGUURPUCHCQLNF-FNORWQNLSA-N 1 1 351.450 4.047 50 5 FIBAMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1C(F)(F)F ZINC000058933135 571204318 /nfs/dbraw/zinc/20/43/18/571204318.db2.gz MBIQCGRFKJROAS-UHFFFAOYSA-N 1 1 354.328 4.124 50 5 FIBAMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000225603793 571337447 /nfs/dbraw/zinc/33/74/47/571337447.db2.gz HWHHPICFLVIHHW-BEFAXECRSA-N 1 1 355.438 4.360 50 5 FIBAMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000225603793 571337448 /nfs/dbraw/zinc/33/74/48/571337448.db2.gz HWHHPICFLVIHHW-BEFAXECRSA-N 1 1 355.438 4.360 50 5 FIBAMO C[N@@H+](Cc1csc2ccccc12)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000097164343 209173081 /nfs/dbraw/zinc/17/30/81/209173081.db2.gz OMUSMLQSPIJUMJ-UHFFFAOYSA-N 1 1 352.419 4.318 50 5 FIBAMO C[N@H+](Cc1csc2ccccc12)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000097164343 209173083 /nfs/dbraw/zinc/17/30/83/209173083.db2.gz OMUSMLQSPIJUMJ-UHFFFAOYSA-N 1 1 352.419 4.318 50 5 FIBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000024864664 568195254 /nfs/dbraw/zinc/19/52/54/568195254.db2.gz YUWLIYULAGYIOU-MRXNPFEDSA-N 1 1 367.449 4.024 50 5 FIBAMO CC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000008052156 207216852 /nfs/dbraw/zinc/21/68/52/207216852.db2.gz YFRNAAGCXDGTEG-SFHVURJKSA-N 1 1 357.410 4.030 50 5 FIBAMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3C3CCCCC3)n2)c1 ZINC000040153655 208238459 /nfs/dbraw/zinc/23/84/59/208238459.db2.gz QUDCHYULYUIWEH-QGZVFWFLSA-N 1 1 356.426 4.190 50 5 FIBAMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3C3CCCCC3)n2)c1 ZINC000040153656 208238664 /nfs/dbraw/zinc/23/86/64/208238664.db2.gz QUDCHYULYUIWEH-KRWDZBQOSA-N 1 1 356.426 4.190 50 5 FIBAMO Cc1cccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000004980756 570571985 /nfs/dbraw/zinc/57/19/85/570571985.db2.gz ZJUUKACFGITXGM-RMKNXTFCSA-N 1 1 351.450 4.047 50 5 FIBAMO COc1ccccc1-c1cc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000022190133 571336419 /nfs/dbraw/zinc/33/64/19/571336419.db2.gz MSZSHWAPQFHPBW-CQSZACIVSA-N 1 1 367.405 4.451 50 5 FIBAMO COc1ccccc1-c1cc(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000022190133 571336420 /nfs/dbraw/zinc/33/64/20/571336420.db2.gz MSZSHWAPQFHPBW-CQSZACIVSA-N 1 1 367.405 4.451 50 5 FIBAMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCc2ccccc21 ZINC000018935272 571124643 /nfs/dbraw/zinc/12/46/43/571124643.db2.gz IEUQQTWIFDEDLS-GOSISDBHSA-N 1 1 373.840 4.196 50 5 FIBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000026231501 571160362 /nfs/dbraw/zinc/16/03/62/571160362.db2.gz KUCHGTSJBKKLCJ-INIZCTEOSA-N 1 1 359.451 4.130 50 5 FIBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2Sc1ccccc1[N+](=O)[O-] ZINC000003178625 571345246 /nfs/dbraw/zinc/34/52/46/571345246.db2.gz PWZDIKWSVYKPKO-RDJZCZTQSA-N 1 1 355.463 4.218 50 5 FIBAMO Cc1ccc(C)c(OC2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000058358245 571350828 /nfs/dbraw/zinc/35/08/28/571350828.db2.gz SRSSVOUYVWVAOK-UHFFFAOYSA-N 1 1 358.413 4.394 50 5 FIBAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000046934296 208371670 /nfs/dbraw/zinc/37/16/70/208371670.db2.gz DSTGFHCJPITZCO-MRXNPFEDSA-N 1 1 367.449 4.008 50 5 FIBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000024864669 568195261 /nfs/dbraw/zinc/19/52/61/568195261.db2.gz YUWLIYULAGYIOU-INIZCTEOSA-N 1 1 367.449 4.024 50 5 FIBAMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012773616 220028013 /nfs/dbraw/zinc/02/80/13/220028013.db2.gz LIWGNHCKFQIHGI-OAHLLOKOSA-N 1 1 365.355 4.300 50 5 FIBAMO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012989939 211014802 /nfs/dbraw/zinc/01/48/02/211014802.db2.gz ZRYBAPWEIBMFDY-UHFFFAOYSA-N 1 1 370.449 4.391 50 5 FIBAMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012989939 211014806 /nfs/dbraw/zinc/01/48/06/211014806.db2.gz ZRYBAPWEIBMFDY-UHFFFAOYSA-N 1 1 370.449 4.391 50 5 FIBAMO COc1ccccc1-c1cc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000022190131 220379135 /nfs/dbraw/zinc/37/91/35/220379135.db2.gz MSZSHWAPQFHPBW-AWEZNQCLSA-N 1 1 367.405 4.451 50 5 FIBAMO COc1ccccc1-c1cc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000022190131 220379136 /nfs/dbraw/zinc/37/91/36/220379136.db2.gz MSZSHWAPQFHPBW-AWEZNQCLSA-N 1 1 367.405 4.451 50 5 FIBAMO CC(C)[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccs1 ZINC000025928118 571073863 /nfs/dbraw/zinc/07/38/63/571073863.db2.gz AWOLPUUGUZIDOM-MRXNPFEDSA-N 1 1 358.423 4.193 50 5 FIBAMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000040155728 571087292 /nfs/dbraw/zinc/08/72/92/571087292.db2.gz LEMMGXPLOBPUSQ-ZDUSSCGKSA-N 1 1 373.840 4.412 50 5 FIBAMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000040155728 571087293 /nfs/dbraw/zinc/08/72/93/571087293.db2.gz LEMMGXPLOBPUSQ-ZDUSSCGKSA-N 1 1 373.840 4.412 50 5 FIBAMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCc2ccccc21 ZINC000018935273 220233806 /nfs/dbraw/zinc/23/38/06/220233806.db2.gz IEUQQTWIFDEDLS-SFHVURJKSA-N 1 1 373.840 4.196 50 5 FIBAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012550176 571179201 /nfs/dbraw/zinc/17/92/01/571179201.db2.gz HJMGDDZLRYKQEE-OAHLLOKOSA-N 1 1 368.437 4.024 50 5 FIBAMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000225603820 571337425 /nfs/dbraw/zinc/33/74/25/571337425.db2.gz HWHHPICFLVIHHW-KXBFYZLASA-N 1 1 355.438 4.360 50 5 FIBAMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000225603820 571337426 /nfs/dbraw/zinc/33/74/26/571337426.db2.gz HWHHPICFLVIHHW-KXBFYZLASA-N 1 1 355.438 4.360 50 5 FIBAMO O=c1c2cc3ccccc3cc2[nH]c(=S)n1CCC[NH+]1CCCCCC1 ZINC000002974085 571343110 /nfs/dbraw/zinc/34/31/10/571343110.db2.gz UPXPHGLBNTVZHZ-UHFFFAOYSA-N 1 1 367.518 4.478 50 5 FIBAMO C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 ZINC000058138966 571348542 /nfs/dbraw/zinc/34/85/42/571348542.db2.gz SMWYVBFWQOSAKI-SNVBAGLBSA-N 1 1 368.311 4.193 50 5 FIBAMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012773621 220028325 /nfs/dbraw/zinc/02/83/25/220028325.db2.gz LIWGNHCKFQIHGI-HNNXBMFYSA-N 1 1 365.355 4.300 50 5 FIBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2Sc1ccccc1[N+](=O)[O-] ZINC000013136375 211026689 /nfs/dbraw/zinc/02/66/89/211026689.db2.gz PWZDIKWSVYKPKO-DOTOQJQBSA-N 1 1 355.463 4.218 50 5 FIBAMO O=[N+]([O-])c1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000058165466 221101666 /nfs/dbraw/zinc/10/16/66/221101666.db2.gz CEBRXNQZZWRVAQ-UHFFFAOYSA-N 1 1 359.857 4.002 50 5 FIBAMO CCCC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000055291997 571321945 /nfs/dbraw/zinc/32/19/45/571321945.db2.gz KSHHHWRXCKXIDV-UHFFFAOYSA-N 1 1 358.438 4.414 50 5 FIBAMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000225603736 571337440 /nfs/dbraw/zinc/33/74/40/571337440.db2.gz HWHHPICFLVIHHW-DNVCBOLYSA-N 1 1 355.438 4.360 50 5 FIBAMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000225603736 571337441 /nfs/dbraw/zinc/33/74/41/571337441.db2.gz HWHHPICFLVIHHW-DNVCBOLYSA-N 1 1 355.438 4.360 50 5 FIBAMO O=[N+]([O-])c1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000008039078 571358630 /nfs/dbraw/zinc/35/86/30/571358630.db2.gz PMCIOWOZAQXNJT-UHFFFAOYSA-N 1 1 359.857 4.134 50 5 FIBAMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCc2ccccc21 ZINC000047406655 570887510 /nfs/dbraw/zinc/88/75/10/570887510.db2.gz BFJJSCNVFWPROQ-GOSISDBHSA-N 1 1 364.405 4.154 50 5 FIBAMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCc2ccccc21 ZINC000047406655 570887512 /nfs/dbraw/zinc/88/75/12/570887512.db2.gz BFJJSCNVFWPROQ-GOSISDBHSA-N 1 1 364.405 4.154 50 5 FIBAMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000040151477 571086391 /nfs/dbraw/zinc/08/63/91/571086391.db2.gz HDAAXBYHYICQPK-UHFFFAOYSA-N 1 1 367.449 4.029 50 5 FIBAMO O=[N+]([O-])c1cccc(OCCCC[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006719192 571243464 /nfs/dbraw/zinc/24/34/64/571243464.db2.gz XAGQTFBAYYCYRO-HXUWFJFHSA-N 1 1 355.438 4.376 50 5 FIBAMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000002782776 571340924 /nfs/dbraw/zinc/34/09/24/571340924.db2.gz IWVNKIIFCPTOSN-UHFFFAOYSA-N 1 1 353.466 4.081 50 5 FIBAMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000225603767 571048949 /nfs/dbraw/zinc/04/89/49/571048949.db2.gz HWHHPICFLVIHHW-HNAYVOBHSA-N 1 1 355.438 4.360 50 5 FIBAMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000225603767 571048953 /nfs/dbraw/zinc/04/89/53/571048953.db2.gz HWHHPICFLVIHHW-HNAYVOBHSA-N 1 1 355.438 4.360 50 5 FIBAMO O=[N+]([O-])c1ccc(NCCc2[nH+]ccn2Cc2ccccc2)c(Cl)c1 ZINC000012559106 571181628 /nfs/dbraw/zinc/18/16/28/571181628.db2.gz NQRUYIMKWOXEIK-UHFFFAOYSA-N 1 1 356.813 4.148 50 5 FIBAMO CC(C)[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000025928529 571075302 /nfs/dbraw/zinc/07/53/02/571075302.db2.gz ZNEZSXDMHGVPRW-GOSISDBHSA-N 1 1 352.394 4.132 50 5 FIBAMO C[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 ZINC000058138959 571348570 /nfs/dbraw/zinc/34/85/70/571348570.db2.gz SMWYVBFWQOSAKI-JTQLQIEISA-N 1 1 368.311 4.193 50 5 FIBAMO COc1cc(C[N@@H+](C)Cc2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000023279914 211381066 /nfs/dbraw/zinc/38/10/66/211381066.db2.gz LGOSFVKRHRDKKZ-UHFFFAOYSA-N 1 1 366.417 4.397 50 5 FIBAMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3ccco3)C3CCCC3)n2)cc1 ZINC000053142074 221043484 /nfs/dbraw/zinc/04/34/84/221043484.db2.gz XRTLPJHSHOBJIN-UHFFFAOYSA-N 1 1 368.393 4.183 50 5 FIBAMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3ccco3)C3CCCC3)n2)cc1 ZINC000053142074 221043487 /nfs/dbraw/zinc/04/34/87/221043487.db2.gz XRTLPJHSHOBJIN-UHFFFAOYSA-N 1 1 368.393 4.183 50 5 FIBAMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 ZINC000046934297 570877618 /nfs/dbraw/zinc/87/76/18/570877618.db2.gz DSTGFHCJPITZCO-INIZCTEOSA-N 1 1 367.449 4.008 50 5 FIBAMO CC(=O)c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000008052162 571358741 /nfs/dbraw/zinc/35/87/41/571358741.db2.gz YFRNAAGCXDGTEG-GOSISDBHSA-N 1 1 357.410 4.030 50 5 FIBAMO CC(C)[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccs1 ZINC000025928123 571073821 /nfs/dbraw/zinc/07/38/21/571073821.db2.gz AWOLPUUGUZIDOM-INIZCTEOSA-N 1 1 358.423 4.193 50 5 FIBAMO O=[N+]([O-])c1cccc(OCCCC[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006719193 571243467 /nfs/dbraw/zinc/24/34/67/571243467.db2.gz XAGQTFBAYYCYRO-FQEVSTJZSA-N 1 1 355.438 4.376 50 5 biogenic FIBAMO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000225670086 571337742 /nfs/dbraw/zinc/33/77/42/571337742.db2.gz LUOLIVAZBYLMNT-UHFFFAOYSA-N 1 1 362.376 4.054 50 5 FIBAMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000225670086 571337743 /nfs/dbraw/zinc/33/77/43/571337743.db2.gz LUOLIVAZBYLMNT-UHFFFAOYSA-N 1 1 362.376 4.054 50 5 FIBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2Sc1ccccc1[N+](=O)[O-] ZINC000104087492 222349695 /nfs/dbraw/zinc/34/96/95/222349695.db2.gz PWZDIKWSVYKPKO-NVXWUHKLSA-N 1 1 355.463 4.218 50 5 FIBAMO COc1cc(C[N@H+](C)Cc2cccc3ccccc32)cc([N+](=O)[O-])c1O ZINC000001225379 219391203 /nfs/dbraw/zinc/39/12/03/219391203.db2.gz POTLAKRRQUXMMK-UHFFFAOYSA-N 1 1 352.390 4.094 50 5 FIBAMO COc1cc(C[N@@H+](C)Cc2cccc3ccccc32)cc([N+](=O)[O-])c1O ZINC000001225379 219391205 /nfs/dbraw/zinc/39/12/05/219391205.db2.gz POTLAKRRQUXMMK-UHFFFAOYSA-N 1 1 352.390 4.094 50 5 FIBAMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593479 533940539 /nfs/dbraw/zinc/94/05/39/533940539.db2.gz AOUWOKICYYNHKK-SJORKVTESA-N 1 1 373.522 4.480 50 5 FIBAMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593479 533940544 /nfs/dbraw/zinc/94/05/44/533940544.db2.gz AOUWOKICYYNHKK-SJORKVTESA-N 1 1 373.522 4.480 50 5 FIBAMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593479 533940551 /nfs/dbraw/zinc/94/05/51/533940551.db2.gz AOUWOKICYYNHKK-SJORKVTESA-N 1 1 373.522 4.480 50 5 FIBAMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C(F)(F)F)cc1 ZINC000079051014 571326743 /nfs/dbraw/zinc/32/67/43/571326743.db2.gz VNQUVITUDCHWDT-UHFFFAOYSA-N 1 1 365.311 4.387 50 5 FIBAMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C(F)(F)F)cc1 ZINC000079051014 571326744 /nfs/dbraw/zinc/32/67/44/571326744.db2.gz VNQUVITUDCHWDT-UHFFFAOYSA-N 1 1 365.311 4.387 50 5 FIBAMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593477 533949685 /nfs/dbraw/zinc/94/96/85/533949685.db2.gz AOUWOKICYYNHKK-IAGOWNOFSA-N 1 1 373.522 4.480 50 5 FIBAMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593477 533949693 /nfs/dbraw/zinc/94/96/93/533949693.db2.gz AOUWOKICYYNHKK-IAGOWNOFSA-N 1 1 373.522 4.480 50 5 FIBAMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000328593477 533949701 /nfs/dbraw/zinc/94/97/01/533949701.db2.gz AOUWOKICYYNHKK-IAGOWNOFSA-N 1 1 373.522 4.480 50 5 FIBAMO CC(C)[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000025928534 571075092 /nfs/dbraw/zinc/07/50/92/571075092.db2.gz ZNEZSXDMHGVPRW-SFHVURJKSA-N 1 1 352.394 4.132 50 5 FIBAMO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000089800010 571273365 /nfs/dbraw/zinc/27/33/65/571273365.db2.gz WBNBKVRFBPQQSV-UHFFFAOYSA-N 1 1 351.859 4.022 50 5 FIBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2Sc1ccccc1[N+](=O)[O-] ZINC000005524690 570666804 /nfs/dbraw/zinc/66/68/04/570666804.db2.gz PWZDIKWSVYKPKO-WBVHZDCISA-N 1 1 355.463 4.218 50 5 FIBAMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000004980800 570571855 /nfs/dbraw/zinc/57/18/55/570571855.db2.gz JQFICDCEDFRQTJ-HWKANZROSA-N 1 1 357.841 4.084 50 5 FIBAMO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675625 571106270 /nfs/dbraw/zinc/10/62/70/571106270.db2.gz FBFXHBLPPANAKC-UHFFFAOYSA-N 1 1 367.449 4.002 50 5 FIBAMO Cc1c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000048374894 221012429 /nfs/dbraw/zinc/01/24/29/221012429.db2.gz HDFFOWLVDBVSTC-INIZCTEOSA-N 1 1 351.406 4.424 50 5 FIBAMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000002783759 571340935 /nfs/dbraw/zinc/34/09/35/571340935.db2.gz YLPLQHAUULKDDG-UHFFFAOYSA-N 1 1 353.466 4.081 50 5 FIBAMO O=C(C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000048326166 221008150 /nfs/dbraw/zinc/00/81/50/221008150.db2.gz VTOMCQRCVSESQW-LJQANCHMSA-N 1 1 365.433 4.075 50 5 FIBAMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1C(F)(F)F ZINC000059375187 221126211 /nfs/dbraw/zinc/12/62/11/221126211.db2.gz BMPVRFJRHAXIIB-UHFFFAOYSA-N 1 1 354.328 4.124 50 5 FIBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000026231498 571160160 /nfs/dbraw/zinc/16/01/60/571160160.db2.gz KUCHGTSJBKKLCJ-MRXNPFEDSA-N 1 1 359.451 4.130 50 5 FIBAMO