smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncsc1C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179426724 189193817 /nfs/dbraw/zinc/19/38/17/189193817.db2.gz WZKRTPBWVCAMTG-UHFFFAOYSA-N 1 1 291.376 3.300 50 5 CGBAMO Cc1ncsc1C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179426724 189193818 /nfs/dbraw/zinc/19/38/18/189193818.db2.gz WZKRTPBWVCAMTG-UHFFFAOYSA-N 1 1 291.376 3.300 50 5 CGBAMO CCc1[nH+]ccn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089757147 370046556 /nfs/dbraw/zinc/04/65/56/370046556.db2.gz JPDABVZVXFBLBT-UHFFFAOYSA-N 1 1 298.302 3.057 50 5 CGBAMO C[C@@H]1C[C@H](C)C[N@H+](CCCOc2ccccc2[N+](=O)[O-])C1 ZINC000002822807 368479724 /nfs/dbraw/zinc/47/97/24/368479724.db2.gz PTLMVVWYWFSMLQ-OKILXGFUSA-N 1 1 292.379 3.342 50 5 CGBAMO Cc1cc(OCCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000002823318 368480267 /nfs/dbraw/zinc/48/02/67/368480267.db2.gz LCMHCDCFEGJVCG-CYBMUJFWSA-N 1 1 292.379 3.404 50 5 CGBAMO CCc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042419783 369221581 /nfs/dbraw/zinc/22/15/81/369221581.db2.gz JEKYAQOLDPKXIQ-UHFFFAOYSA-N 1 1 265.700 3.055 50 5 CGBAMO C[N@@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000019633058 368758991 /nfs/dbraw/zinc/75/89/91/368758991.db2.gz XQPNEVQVPHJIST-UHFFFAOYSA-N 1 1 270.332 3.269 50 5 CGBAMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114484599 370502806 /nfs/dbraw/zinc/50/28/06/370502806.db2.gz KCLBWQWKTCIONV-HNNXBMFYSA-N 1 1 286.335 3.045 50 5 CGBAMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114484599 370502811 /nfs/dbraw/zinc/50/28/11/370502811.db2.gz KCLBWQWKTCIONV-HNNXBMFYSA-N 1 1 286.335 3.045 50 5 CGBAMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000004980805 170048587 /nfs/dbraw/zinc/04/85/87/170048587.db2.gz DFVQFBRINHBGHT-SOFGYWHQSA-N 1 1 297.358 3.178 50 5 CGBAMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484597 370502614 /nfs/dbraw/zinc/50/26/14/370502614.db2.gz KCLBWQWKTCIONV-OAHLLOKOSA-N 1 1 286.335 3.045 50 5 CGBAMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484597 370502618 /nfs/dbraw/zinc/50/26/18/370502618.db2.gz KCLBWQWKTCIONV-OAHLLOKOSA-N 1 1 286.335 3.045 50 5 CGBAMO C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000002822366 169834870 /nfs/dbraw/zinc/83/48/70/169834870.db2.gz CTUPSSVYEBTCNI-ZDUSSCGKSA-N 1 1 278.352 3.096 50 5 CGBAMO Cc1[nH+]cn(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000178673819 373804050 /nfs/dbraw/zinc/80/40/50/373804050.db2.gz ZMJJRKHIBQHPRR-UHFFFAOYSA-N 1 1 299.252 3.475 50 5 CGBAMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccccc1)CC2 ZINC000031687545 285142733 /nfs/dbraw/zinc/14/27/33/285142733.db2.gz AGFPKVWDPOICML-UHFFFAOYSA-N 1 1 268.316 3.153 50 5 CGBAMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccccc1)CC2 ZINC000031687545 285142734 /nfs/dbraw/zinc/14/27/34/285142734.db2.gz AGFPKVWDPOICML-UHFFFAOYSA-N 1 1 268.316 3.153 50 5 CGBAMO C[C@@H]1C[N@H+](C)[C@@H](C)c2c3cc([N+](=O)[O-])ccc3oc21 ZINC000012436517 274340051 /nfs/dbraw/zinc/34/00/51/274340051.db2.gz HAPQZJBJBJVMIZ-BDAKNGLRSA-N 1 1 260.293 3.451 50 5 CGBAMO C[C@@H]1C[N@@H+](C)[C@@H](C)c2c3cc([N+](=O)[O-])ccc3oc21 ZINC000012436517 274340053 /nfs/dbraw/zinc/34/00/53/274340053.db2.gz HAPQZJBJBJVMIZ-BDAKNGLRSA-N 1 1 260.293 3.451 50 5 CGBAMO Cc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000004906722 170039527 /nfs/dbraw/zinc/03/95/27/170039527.db2.gz CJTKZIKEOLMTQQ-CYBMUJFWSA-N 1 1 278.352 3.014 50 5 CGBAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])s1 ZINC000004988945 170050003 /nfs/dbraw/zinc/05/00/03/170050003.db2.gz UWTXNBVTYGXDNT-SNVBAGLBSA-N 1 1 254.355 3.421 50 5 CGBAMO Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000095990951 274862696 /nfs/dbraw/zinc/86/26/96/274862696.db2.gz FBESLFATFWPRTL-UHFFFAOYSA-N 1 1 285.225 3.167 50 5 CGBAMO CC(C)c1[nH+]ccn1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000096001664 185062200 /nfs/dbraw/zinc/06/22/00/185062200.db2.gz UEKIMMPPQAYLPV-UHFFFAOYSA-N 1 1 286.291 3.104 50 5 CGBAMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCCCC1 ZINC000023281452 368819601 /nfs/dbraw/zinc/81/96/01/368819601.db2.gz YVXNXCFXMWJZDJ-UHFFFAOYSA-N 1 1 254.717 3.234 50 5 CGBAMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000047272566 369311396 /nfs/dbraw/zinc/31/13/96/369311396.db2.gz QZEQERWRTZTGNG-UONOGXRCSA-N 1 1 295.770 3.287 50 5 CGBAMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3ccccc3C2)c1 ZINC000036396718 369020838 /nfs/dbraw/zinc/02/08/38/369020838.db2.gz CXDWTUHSCXCYEL-UHFFFAOYSA-N 1 1 298.342 3.032 50 5 CGBAMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000051112580 369446777 /nfs/dbraw/zinc/44/67/77/369446777.db2.gz UESFUXWNEATOPE-UHFFFAOYSA-N 1 1 282.343 3.196 50 5 CGBAMO C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000004988352 170049707 /nfs/dbraw/zinc/04/97/07/170049707.db2.gz JEORQQLXFZZLLJ-OQHXTRMZSA-N 1 1 260.337 3.340 50 5 CGBAMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000037866038 282198061 /nfs/dbraw/zinc/19/80/61/282198061.db2.gz WKOOIHIZJLMSOH-UHFFFAOYSA-N 1 1 271.198 3.108 50 5 CGBAMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000097113597 370227865 /nfs/dbraw/zinc/22/78/65/370227865.db2.gz ANZUWAWDRMHZCU-VMPITWQZSA-N 1 1 283.331 3.135 50 5 CGBAMO CC[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000042095252 174637023 /nfs/dbraw/zinc/63/70/23/174637023.db2.gz SXYURFQIZDXDHN-GFCCVEGCSA-N 1 1 288.351 3.024 50 5 CGBAMO C[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000004989157 391923373 /nfs/dbraw/zinc/92/33/73/391923373.db2.gz WDUFHALGCCZXFY-PPGNKHEKSA-N 1 1 260.337 3.482 50 5 CGBAMO [NH2+]=C1Cc2ccccc2CN1c1ccc([N+](=O)[O-])cc1 ZINC000022782473 618442514 /nfs/dbraw/zinc/44/25/14/618442514.db2.gz ICVDCQVJKXGIEJ-UHFFFAOYSA-N 1 1 267.288 3.135 50 5 CGBAMO Cc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000241326110 376779184 /nfs/dbraw/zinc/77/91/84/376779184.db2.gz LZIRLAVXQYABLR-UHFFFAOYSA-N 1 1 291.376 3.034 50 5 CGBAMO Cc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000241326110 376779188 /nfs/dbraw/zinc/77/91/88/376779188.db2.gz LZIRLAVXQYABLR-UHFFFAOYSA-N 1 1 291.376 3.034 50 5 CGBAMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000195529116 376109998 /nfs/dbraw/zinc/10/99/98/376109998.db2.gz QZEQERWRTZTGNG-KGLIPLIRSA-N 1 1 295.770 3.287 50 5 CGBAMO CC(C)C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000026625271 391950802 /nfs/dbraw/zinc/95/08/02/391950802.db2.gz FWAZTXKBTNPEEH-UHFFFAOYSA-N 1 1 288.351 3.022 50 5 CGBAMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000096007789 185064244 /nfs/dbraw/zinc/06/42/44/185064244.db2.gz NTQROFIZTWSIQJ-LLVKDONJSA-N 1 1 298.770 3.107 50 5 CGBAMO Nc1c2[nH]c3ccccc3c2[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000075286223 345499683 /nfs/dbraw/zinc/49/96/83/345499683.db2.gz NXZRIJLCJODPKI-UHFFFAOYSA-N 1 1 278.271 3.360 50 5 CGBAMO Cc1cc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000004913344 170040504 /nfs/dbraw/zinc/04/05/04/170040504.db2.gz WYOPNAZNNNWSQM-BETUJISGSA-N 1 1 292.379 3.260 50 5 CGBAMO C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000004988596 170049276 /nfs/dbraw/zinc/04/92/76/170049276.db2.gz XRSWHNYXGSHRDF-JTQLQIEISA-N 1 1 268.744 3.480 50 5 CGBAMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000004988596 170049277 /nfs/dbraw/zinc/04/92/77/170049277.db2.gz XRSWHNYXGSHRDF-JTQLQIEISA-N 1 1 268.744 3.480 50 5 CGBAMO C[C@@H]1C[N@H+](C)[C@@H](C)c2c3cccc([N+](=O)[O-])c3oc21 ZINC000023115254 391945589 /nfs/dbraw/zinc/94/55/89/391945589.db2.gz YEDYHJFVBBFGPZ-BDAKNGLRSA-N 1 1 260.293 3.451 50 5 CGBAMO C[C@@H]1C[N@@H+](C)[C@@H](C)c2c3cccc([N+](=O)[O-])c3oc21 ZINC000023115254 391945593 /nfs/dbraw/zinc/94/55/93/391945593.db2.gz YEDYHJFVBBFGPZ-BDAKNGLRSA-N 1 1 260.293 3.451 50 5 CGBAMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000125457070 187185765 /nfs/dbraw/zinc/18/57/65/187185765.db2.gz OEMIQBNDBJLKLZ-MRXNPFEDSA-N 1 1 283.331 3.327 50 5 CGBAMO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000093338739 370118957 /nfs/dbraw/zinc/11/89/57/370118957.db2.gz GFTRZFNBYBCBOA-UHFFFAOYSA-N 1 1 285.347 3.320 50 5 CGBAMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000093338739 370118964 /nfs/dbraw/zinc/11/89/64/370118964.db2.gz GFTRZFNBYBCBOA-UHFFFAOYSA-N 1 1 285.347 3.320 50 5 CGBAMO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000075145377 369896861 /nfs/dbraw/zinc/89/68/61/369896861.db2.gz IIOMABMUURZPGG-UHFFFAOYSA-N 1 1 284.381 3.046 50 5 CGBAMO C[C@@H]1C[N@H+](C)[C@H](C)c2c3cccc([N+](=O)[O-])c3oc21 ZINC000035335355 274341104 /nfs/dbraw/zinc/34/11/04/274341104.db2.gz YEDYHJFVBBFGPZ-RKDXNWHRSA-N 1 1 260.293 3.451 50 5 CGBAMO C[C@@H]1C[N@@H+](C)[C@H](C)c2c3cccc([N+](=O)[O-])c3oc21 ZINC000035335355 274341105 /nfs/dbraw/zinc/34/11/05/274341105.db2.gz YEDYHJFVBBFGPZ-RKDXNWHRSA-N 1 1 260.293 3.451 50 5 CGBAMO O=[N+]([O-])c1ccccc1NCC[N@H+]1CCc2ccccc2C1 ZINC000032779300 368945243 /nfs/dbraw/zinc/94/52/43/368945243.db2.gz IRFXQMNWVVEUOL-UHFFFAOYSA-N 1 1 297.358 3.065 50 5 CGBAMO C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000002822367 368480180 /nfs/dbraw/zinc/48/01/80/368480180.db2.gz CTUPSSVYEBTCNI-CYBMUJFWSA-N 1 1 278.352 3.096 50 5 CGBAMO Cc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000004906719 170039501 /nfs/dbraw/zinc/03/95/01/170039501.db2.gz CJTKZIKEOLMTQQ-ZDUSSCGKSA-N 1 1 278.352 3.014 50 5 CGBAMO C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000004988593 170049424 /nfs/dbraw/zinc/04/94/24/170049424.db2.gz XRSWHNYXGSHRDF-SNVBAGLBSA-N 1 1 268.744 3.480 50 5 CGBAMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000004988593 170049425 /nfs/dbraw/zinc/04/94/25/170049425.db2.gz XRSWHNYXGSHRDF-SNVBAGLBSA-N 1 1 268.744 3.480 50 5 CGBAMO C[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000004988356 170049629 /nfs/dbraw/zinc/04/96/29/170049629.db2.gz JEORQQLXFZZLLJ-LJLILKBBSA-N 1 1 260.337 3.340 50 5 CGBAMO C[C@@H]1c2c3cccc([N+](=O)[O-])c3oc2[C@@H](C)C[N@@H+]1C ZINC000035335356 369002315 /nfs/dbraw/zinc/00/23/15/369002315.db2.gz YEDYHJFVBBFGPZ-DTWKUNHWSA-N 1 1 260.293 3.451 50 5 CGBAMO C[C@@H]1c2c3cccc([N+](=O)[O-])c3oc2[C@@H](C)C[N@H+]1C ZINC000035335356 369002318 /nfs/dbraw/zinc/00/23/18/369002318.db2.gz YEDYHJFVBBFGPZ-DTWKUNHWSA-N 1 1 260.293 3.451 50 5 CGBAMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000195529117 376110148 /nfs/dbraw/zinc/11/01/48/376110148.db2.gz QZEQERWRTZTGNG-KBPBESRZSA-N 1 1 295.770 3.287 50 5 CGBAMO O=[N+]([O-])c1ccc2c(c1)CC[N@H+](Cc1ccccc1)C2 ZINC000072265959 275037654 /nfs/dbraw/zinc/03/76/54/275037654.db2.gz ZKVVNEZVGMWFCN-UHFFFAOYSA-N 1 1 268.316 3.153 50 5 CGBAMO O=[N+]([O-])c1cccc(/C=C\c2[nH+]cc3ccccn23)c1 ZINC000034806492 638873323 /nfs/dbraw/zinc/87/33/23/638873323.db2.gz VTSLMDLWDORMQH-FPLPWBNLSA-N 1 1 265.272 3.413 50 5 CGBAMO CC[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000042095254 369199766 /nfs/dbraw/zinc/19/97/66/369199766.db2.gz SXYURFQIZDXDHN-LBPRGKRZSA-N 1 1 288.351 3.024 50 5 CGBAMO C[C@@H]1C[N@H+](C)[C@H](C)c2c3cc([N+](=O)[O-])ccc3oc21 ZINC000033682429 274340875 /nfs/dbraw/zinc/34/08/75/274340875.db2.gz HAPQZJBJBJVMIZ-RKDXNWHRSA-N 1 1 260.293 3.451 50 5 CGBAMO C[C@@H]1C[N@@H+](C)[C@H](C)c2c3cc([N+](=O)[O-])ccc3oc21 ZINC000033682429 274340881 /nfs/dbraw/zinc/34/08/81/274340881.db2.gz HAPQZJBJBJVMIZ-RKDXNWHRSA-N 1 1 260.293 3.451 50 5 CGBAMO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1ccncc1)C1CC1 ZINC000095432401 275039787 /nfs/dbraw/zinc/03/97/87/275039787.db2.gz ZTADBIGLDLRBJC-UHFFFAOYSA-N 1 1 297.358 3.197 50 5 CGBAMO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000019537044 368756241 /nfs/dbraw/zinc/75/62/41/368756241.db2.gz QBJNCUIXIUYYKO-UHFFFAOYSA-N 1 1 268.316 3.153 50 5 CGBAMO O=[N+]([O-])c1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000019537044 368756246 /nfs/dbraw/zinc/75/62/46/368756246.db2.gz QBJNCUIXIUYYKO-UHFFFAOYSA-N 1 1 268.316 3.153 50 5 CGBAMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072302150 176365001 /nfs/dbraw/zinc/36/50/01/176365001.db2.gz PWOWBJCJJBIUEN-LLVKDONJSA-N 1 1 297.786 3.026 50 5 CGBAMO O=[N+]([O-])c1cccc(/C=C/c2[nH+]cc3ccccn23)c1 ZINC000003892522 368523647 /nfs/dbraw/zinc/52/36/47/368523647.db2.gz VTSLMDLWDORMQH-BQYQJAHWSA-N 1 1 265.272 3.413 50 5 CGBAMO COC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000096007790 185064326 /nfs/dbraw/zinc/06/43/26/185064326.db2.gz NTQROFIZTWSIQJ-NSHDSACASA-N 1 1 298.770 3.107 50 5 CGBAMO CC[N@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000057541649 369540781 /nfs/dbraw/zinc/54/07/81/369540781.db2.gz YRINIEKFXQJECU-UHFFFAOYSA-N 1 1 271.320 3.012 50 5 CGBAMO CC[N@@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000057541649 369540785 /nfs/dbraw/zinc/54/07/85/369540785.db2.gz YRINIEKFXQJECU-UHFFFAOYSA-N 1 1 271.320 3.012 50 5 CGBAMO C[N@@H+](CCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000019632823 368758005 /nfs/dbraw/zinc/75/80/05/368758005.db2.gz HAGQRWCVAFWKIM-UHFFFAOYSA-N 1 1 270.332 3.269 50 5 CGBAMO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019536230 285114192 /nfs/dbraw/zinc/11/41/92/285114192.db2.gz ZPCZTMXXHZOATF-UHFFFAOYSA-N 1 1 268.316 3.153 50 5 CGBAMO Cc1cc(OCCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000002823320 368480343 /nfs/dbraw/zinc/48/03/43/368480343.db2.gz LCMHCDCFEGJVCG-ZDUSSCGKSA-N 1 1 292.379 3.404 50 5 CGBAMO O=[N+]([O-])c1ccc(C[NH+]2CCCCC2)cc1Cl ZINC000187483152 375029697 /nfs/dbraw/zinc/02/96/97/375029697.db2.gz XKEBXFUVTWKTID-UHFFFAOYSA-N 1 1 254.717 3.234 50 5 CGBAMO C[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000004989156 170050145 /nfs/dbraw/zinc/05/01/45/170050145.db2.gz WDUFHALGCCZXFY-YSKGHYERSA-N 1 1 260.337 3.482 50 5 CGBAMO [NH2+]=C1Cc2ccccc2CN1c1cccc([N+](=O)[O-])c1 ZINC000000139600 368299729 /nfs/dbraw/zinc/29/97/29/368299729.db2.gz XCHKMDGEYYYCHT-UHFFFAOYSA-N 1 1 267.288 3.135 50 5 CGBAMO C[C@H]1C[N@H+](C)[C@@H](C)c2c3cc([N+](=O)[O-])ccc3oc21 ZINC000012436518 391930269 /nfs/dbraw/zinc/93/02/69/391930269.db2.gz HAPQZJBJBJVMIZ-IUCAKERBSA-N 1 1 260.293 3.451 50 5 CGBAMO C[C@H]1C[N@@H+](C)[C@@H](C)c2c3cc([N+](=O)[O-])ccc3oc21 ZINC000012436518 391930277 /nfs/dbraw/zinc/93/02/77/391930277.db2.gz HAPQZJBJBJVMIZ-IUCAKERBSA-N 1 1 260.293 3.451 50 5 CGBAMO O=[N+]([O-])c1cc(C[NH+]2CCCCC2)ccc1Cl ZINC000037403736 173180283 /nfs/dbraw/zinc/18/02/83/173180283.db2.gz WAISOIXTMOUHQM-UHFFFAOYSA-N 1 1 254.717 3.234 50 5 CGBAMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2ccccc2C1 ZINC000019536909 368757083 /nfs/dbraw/zinc/75/70/83/368757083.db2.gz STIUMHGEWZSQFF-UHFFFAOYSA-N 1 1 268.316 3.153 50 5 CGBAMO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2ccccc2C1 ZINC000019536909 368757085 /nfs/dbraw/zinc/75/70/85/368757085.db2.gz STIUMHGEWZSQFF-UHFFFAOYSA-N 1 1 268.316 3.153 50 5 CGBAMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000047272565 369311534 /nfs/dbraw/zinc/31/15/34/369311534.db2.gz QZEQERWRTZTGNG-ZIAGYGMSSA-N 1 1 295.770 3.287 50 5 CGBAMO O=[N+]([O-])c1ccccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997593 369925198 /nfs/dbraw/zinc/92/51/98/369925198.db2.gz XHLMYKXGEAFNSE-UHFFFAOYSA-N 1 1 288.269 3.369 50 5 CGBAMO CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])s1 ZINC000004988946 170050139 /nfs/dbraw/zinc/05/01/39/170050139.db2.gz UWTXNBVTYGXDNT-JTQLQIEISA-N 1 1 254.355 3.421 50 5 CGBAMO C[C@H]1C[N@H+](C)[C@@H](C)c2c3cccc([N+](=O)[O-])c3oc21 ZINC000016662133 368719538 /nfs/dbraw/zinc/71/95/38/368719538.db2.gz YEDYHJFVBBFGPZ-IUCAKERBSA-N 1 1 260.293 3.451 50 5 CGBAMO C[C@H]1C[N@@H+](C)[C@@H](C)c2c3cccc([N+](=O)[O-])c3oc21 ZINC000016662133 368719541 /nfs/dbraw/zinc/71/95/41/368719541.db2.gz YEDYHJFVBBFGPZ-IUCAKERBSA-N 1 1 260.293 3.451 50 5 CGBAMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000125457277 187185803 /nfs/dbraw/zinc/18/58/03/187185803.db2.gz OEMIQBNDBJLKLZ-INIZCTEOSA-N 1 1 283.331 3.327 50 5 CGBAMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072302149 176365150 /nfs/dbraw/zinc/36/51/50/176365150.db2.gz PWOWBJCJJBIUEN-NSHDSACASA-N 1 1 297.786 3.026 50 5 CGBAMO C[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000016663024 368720222 /nfs/dbraw/zinc/72/02/22/368720222.db2.gz GDHUXFNPJGKJSB-UHFFFAOYSA-N 1 1 270.332 3.269 50 5 CGBAMO C[C@@H]1c2c3cc([N+](=O)[O-])ccc3oc2[C@@H](C)C[N@@H+]1C ZINC000033295783 368960699 /nfs/dbraw/zinc/96/06/99/368960699.db2.gz HAPQZJBJBJVMIZ-DTWKUNHWSA-N 1 1 260.293 3.451 50 5 CGBAMO C[C@@H]1c2c3cc([N+](=O)[O-])ccc3oc2[C@@H](C)C[N@H+]1C ZINC000033295783 368960703 /nfs/dbraw/zinc/96/07/03/368960703.db2.gz HAPQZJBJBJVMIZ-DTWKUNHWSA-N 1 1 260.293 3.451 50 5 CGBAMO CCCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000055292290 369515315 /nfs/dbraw/zinc/51/53/15/369515315.db2.gz YATXEZYQSWCASP-UHFFFAOYSA-N 1 1 256.733 3.480 50 5 CGBAMO C[N@@H+]1CC=C(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000095446200 370195033 /nfs/dbraw/zinc/19/50/33/370195033.db2.gz GRPBLGBXZARIKF-UHFFFAOYSA-N 1 1 295.770 3.312 50 5 CGBAMO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024862415 368836269 /nfs/dbraw/zinc/83/62/69/368836269.db2.gz BZBXAWWRPJVZRZ-NSHDSACASA-N 1 1 289.335 3.393 50 5 CGBAMO Cc1noc(C)c1C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024862415 368836277 /nfs/dbraw/zinc/83/62/77/368836277.db2.gz BZBXAWWRPJVZRZ-NSHDSACASA-N 1 1 289.335 3.393 50 5 CGBAMO Cc1noc(C)c1C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024862413 368835651 /nfs/dbraw/zinc/83/56/51/368835651.db2.gz BZBXAWWRPJVZRZ-LLVKDONJSA-N 1 1 289.335 3.393 50 5 CGBAMO Cc1noc(C)c1C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024862413 368835657 /nfs/dbraw/zinc/83/56/57/368835657.db2.gz BZBXAWWRPJVZRZ-LLVKDONJSA-N 1 1 289.335 3.393 50 5 CGBAMO CC(C)([NH2+]Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000080347013 369986978 /nfs/dbraw/zinc/98/69/78/369986978.db2.gz VOURQYYMNSECFG-UHFFFAOYSA-N 1 1 260.293 3.213 50 5 CGBAMO Cc1c(C[N@H+](C(C)C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000096419592 392252524 /nfs/dbraw/zinc/25/25/24/392252524.db2.gz MASUSQUHLAAUNG-UHFFFAOYSA-N 1 1 292.379 3.293 50 5 CGBAMO