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-])c1cc2c(cc1NC[C@@H]1CO[C@@H]3C[NH2+]C[C@H]13)CNC2 ZINC001163104714 772462396 /nfs/dbraw/zinc/46/23/96/772462396.db2.gz CGXYBIHLOTWQSF-LALPHHSUSA-N 1 3 304.350 0.844 20 5 DCBDHO CCN1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336756530 952761359 /nfs/dbraw/zinc/76/13/59/952761359.db2.gz QAHRVALEETWLCO-MRXNPFEDSA-N 1 3 322.409 0.855 20 5 DCBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(OC2C[NH2+]C2)CC1 ZINC001579877147 1165419607 /nfs/dbraw/zinc/41/96/07/1165419607.db2.gz ABCNGKWOYWCSID-UHFFFAOYSA-N 1 3 309.370 0.553 20 5 DCBDHO CN1CCCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627656 956913013 /nfs/dbraw/zinc/91/30/13/956913013.db2.gz ASYIWTBJCYVIKK-OCCSQVGLSA-N 1 3 311.386 0.474 20 5 DCBDHO C[N@@H+]1CCCC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627656 956913031 /nfs/dbraw/zinc/91/30/31/956913031.db2.gz ASYIWTBJCYVIKK-OCCSQVGLSA-N 1 3 311.386 0.474 20 5 DCBDHO C[N@H+]1CCCC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627656 956913043 /nfs/dbraw/zinc/91/30/43/956913043.db2.gz ASYIWTBJCYVIKK-OCCSQVGLSA-N 1 3 311.386 0.474 20 5 DCBDHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000247976817 395981171 /nfs/dbraw/zinc/98/11/71/395981171.db2.gz LDYQZUZGICDJAU-YUELXQCFSA-N 1 3 323.397 0.568 20 5 DCBDHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000247976817 395981174 /nfs/dbraw/zinc/98/11/74/395981174.db2.gz LDYQZUZGICDJAU-YUELXQCFSA-N 1 3 323.397 0.568 20 5 DCBDHO O=[N+]([O-])c1cc2c(cc1CNCCN1CC[NH2+]CC1)OCCO2 ZINC000591277457 396894117 /nfs/dbraw/zinc/89/41/17/396894117.db2.gz NQUBYZMOPSCOSC-UHFFFAOYSA-N 1 3 322.365 0.361 20 5 DCBDHO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc3c(cc2[N+](=O)[O-])CNC3)N1 ZINC001163249680 772490695 /nfs/dbraw/zinc/49/06/95/772490695.db2.gz LEWVNEACYSJWGB-OCCSQVGLSA-N 1 3 303.322 0.188 20 5 DCBDHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506436 396619809 /nfs/dbraw/zinc/61/98/09/396619809.db2.gz CHEYJHDBYCGYDQ-CABCVRRESA-N 1 3 323.397 0.570 20 5 DCBDHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506436 396619812 /nfs/dbraw/zinc/61/98/12/396619812.db2.gz CHEYJHDBYCGYDQ-CABCVRRESA-N 1 3 323.397 0.570 20 5 DCBDHO Cn1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c([N+](=O)[O-])n1 ZINC000923446692 667533922 /nfs/dbraw/zinc/53/39/22/667533922.db2.gz MZEYJSHLETUHHO-GFCCVEGCSA-N 1 3 309.370 0.658 20 5 DCBDHO COC(=O)c1cc([N+](=O)[O-])ncc1NC(=N)NCCCC[NH3+] ZINC001167883521 748461578 /nfs/dbraw/zinc/46/15/78/748461578.db2.gz IHYSTEQVHXNEPN-UHFFFAOYSA-N 1 3 310.314 0.452 20 5 DCBDHO NCc1ccc(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cn1 ZINC001160406974 772033203 /nfs/dbraw/zinc/03/32/03/772033203.db2.gz ZVIWKFVTCHPULS-UHFFFAOYSA-N 1 3 301.310 0.669 20 5 DCBDHO O=C(CC[NH2+]C1(CO)CCNCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595902271 396679724 /nfs/dbraw/zinc/67/97/24/396679724.db2.gz QJYDSHKXBYKRJP-UHFFFAOYSA-N 1 3 322.365 0.628 20 5 DCBDHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627652 956912667 /nfs/dbraw/zinc/91/26/67/956912667.db2.gz ASYIWTBJCYVIKK-GXTWGEPZSA-N 1 3 311.386 0.474 20 5 DCBDHO C[N@@H+]1CCCC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627652 956912682 /nfs/dbraw/zinc/91/26/82/956912682.db2.gz ASYIWTBJCYVIKK-GXTWGEPZSA-N 1 3 311.386 0.474 20 5 DCBDHO C[N@H+]1CCCC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627652 956912692 /nfs/dbraw/zinc/91/26/92/956912692.db2.gz ASYIWTBJCYVIKK-GXTWGEPZSA-N 1 3 311.386 0.474 20 5 DCBDHO CN(CCOCC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600733762 396933346 /nfs/dbraw/zinc/93/33/46/396933346.db2.gz CRHBJADOOFVWRO-UHFFFAOYSA-N 1 3 310.354 0.831 20 5 DCBDHO C[N@H+](CCCN1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269821 415936298 /nfs/dbraw/zinc/93/62/98/415936298.db2.gz MGTJOOUBMOQNAT-CQSZACIVSA-N 1 3 311.386 0.570 20 5 DCBDHO C[N@@H+](CCCN1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269821 415936302 /nfs/dbraw/zinc/93/63/02/415936302.db2.gz MGTJOOUBMOQNAT-CQSZACIVSA-N 1 3 311.386 0.570 20 5 DCBDHO O=[N+]([O-])c1ccc(OCCN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349112 262369991 /nfs/dbraw/zinc/36/99/91/262369991.db2.gz NUJHAQPEARCJDE-HNNXBMFYSA-N 1 3 320.393 0.953 20 5 DCBDHO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CNCC23C[NH2+]C3)n1 ZINC001247838443 945576629 /nfs/dbraw/zinc/57/66/29/945576629.db2.gz WMIYUCPGKBMXPX-QMMMGPOBSA-N 1 3 320.284 0.455 20 5 DCBDHO CN(CCOc1ccc([N+](=O)[O-])cc1)CCN1CC[NH2+]CC1 ZINC000592471967 397185991 /nfs/dbraw/zinc/18/59/91/397185991.db2.gz AHMYBFVZXLCEFG-UHFFFAOYSA-N 1 3 308.382 0.811 20 5 DCBDHO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349375 262369848 /nfs/dbraw/zinc/36/98/48/262369848.db2.gz OPXFXXONMNBRAX-CQSZACIVSA-N 1 3 320.393 0.953 20 5 DCBDHO C[NH+](C)CCOCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147841258 767857732 /nfs/dbraw/zinc/85/77/32/767857732.db2.gz BLVSQRITNUONBA-UHFFFAOYSA-N 1 3 324.381 0.379 20 5 DCBDHO CN1CCC[C@](C)(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001162338626 772363269 /nfs/dbraw/zinc/36/32/69/772363269.db2.gz CRJZXJJMLJIEOG-AWEZNQCLSA-N 1 3 306.370 0.968 20 5 DCBDHO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc3c(cc2[N+](=O)[O-])CNC3)N1 ZINC001163249682 772490859 /nfs/dbraw/zinc/49/08/59/772490859.db2.gz LEWVNEACYSJWGB-TZMCWYRMSA-N 1 3 303.322 0.188 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c1 ZINC001357240608 957236967 /nfs/dbraw/zinc/23/69/67/957236967.db2.gz BXXUXCJKNJWYAG-SCRDCRAPSA-N 1 3 309.370 0.369 20 5 DCBDHO COC(=O)c1ncc([N+](=O)[O-])cc1NC(=N)NCCCC[NH3+] ZINC001167884377 748462378 /nfs/dbraw/zinc/46/23/78/748462378.db2.gz VUOCVHVTCTVYAJ-UHFFFAOYSA-N 1 3 310.314 0.452 20 5 DCBDHO C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000564793676 396869167 /nfs/dbraw/zinc/86/91/67/396869167.db2.gz RORRBBJOVPKCIJ-DGCLKSJQSA-N 1 3 313.402 0.718 20 5 DCBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000304321524 261173701 /nfs/dbraw/zinc/17/37/01/261173701.db2.gz QMYFTYLABOJWKZ-GXTWGEPZSA-N 1 3 311.386 0.426 20 5 DCBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000304321524 261173704 /nfs/dbraw/zinc/17/37/04/261173704.db2.gz QMYFTYLABOJWKZ-GXTWGEPZSA-N 1 3 311.386 0.426 20 5 DCBDHO CN(C)CCN1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040100 760556045 /nfs/dbraw/zinc/55/60/45/760556045.db2.gz XWQZSGMVNYZUMJ-UONOGXRCSA-N 1 3 312.414 0.528 20 5 DCBDHO CN(C)CCN1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040100 760556049 /nfs/dbraw/zinc/55/60/49/760556049.db2.gz XWQZSGMVNYZUMJ-UONOGXRCSA-N 1 3 312.414 0.528 20 5 DCBDHO C[NH+](C)CCN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040100 760556055 /nfs/dbraw/zinc/55/60/55/760556055.db2.gz XWQZSGMVNYZUMJ-UONOGXRCSA-N 1 3 312.414 0.528 20 5 DCBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749378 396996566 /nfs/dbraw/zinc/99/65/66/396996566.db2.gz MPXXUTDZRWWWIP-SCRDCRAPSA-N 1 3 311.386 0.615 20 5 DCBDHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749378 396996572 /nfs/dbraw/zinc/99/65/72/396996572.db2.gz MPXXUTDZRWWWIP-SCRDCRAPSA-N 1 3 311.386 0.615 20 5 DCBDHO C[NH+](C)CCOc1cc(-n2nncc2CN)ccc1[N+](=O)[O-] ZINC001169312440 760630918 /nfs/dbraw/zinc/63/09/18/760630918.db2.gz YXRQEILMGLPMRU-UHFFFAOYSA-N 1 3 306.326 0.575 20 5 DCBDHO O=C(CC[NH2+]C1(CO)CCNCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595901829 396679333 /nfs/dbraw/zinc/67/93/33/396679333.db2.gz KVJASVCWJBWIRM-UHFFFAOYSA-N 1 3 322.365 0.628 20 5 DCBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000304321536 261173567 /nfs/dbraw/zinc/17/35/67/261173567.db2.gz QMYFTYLABOJWKZ-TZMCWYRMSA-N 1 3 311.386 0.426 20 5 DCBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000304321536 261173570 /nfs/dbraw/zinc/17/35/70/261173570.db2.gz QMYFTYLABOJWKZ-TZMCWYRMSA-N 1 3 311.386 0.426 20 5 DCBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000574400393 397264392 /nfs/dbraw/zinc/26/43/92/397264392.db2.gz LFRNJGHYJRJRCH-OCCSQVGLSA-N 1 3 309.370 0.620 20 5 DCBDHO CN(CCN(C)C1CC[NH+](C)CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000089269222 415522923 /nfs/dbraw/zinc/52/29/23/415522923.db2.gz MJXUDEBETXSUAU-UHFFFAOYSA-N 1 3 324.429 0.749 20 5 DCBDHO CN(C)CCN1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040101 760555740 /nfs/dbraw/zinc/55/57/40/760555740.db2.gz XWQZSGMVNYZUMJ-ZIAGYGMSSA-N 1 3 312.414 0.528 20 5 DCBDHO CN(C)CCN1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040101 760555742 /nfs/dbraw/zinc/55/57/42/760555742.db2.gz XWQZSGMVNYZUMJ-ZIAGYGMSSA-N 1 3 312.414 0.528 20 5 DCBDHO C[NH+](C)CCN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040101 760555745 /nfs/dbraw/zinc/55/57/45/760555745.db2.gz XWQZSGMVNYZUMJ-ZIAGYGMSSA-N 1 3 312.414 0.528 20 5 DCBDHO CCN1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262561575 947726098 /nfs/dbraw/zinc/72/60/98/947726098.db2.gz AODDVYVFACSWJW-INIZCTEOSA-N 1 3 322.409 0.855 20 5 DCBDHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976812 395981490 /nfs/dbraw/zinc/98/14/90/395981490.db2.gz LDYQZUZGICDJAU-BPLDGKMQSA-N 1 3 323.397 0.568 20 5 DCBDHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976812 395981494 /nfs/dbraw/zinc/98/14/94/395981494.db2.gz LDYQZUZGICDJAU-BPLDGKMQSA-N 1 3 323.397 0.568 20 5 DCBDHO O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCN3CC[NH2+]CC3)C2)nc1 ZINC000579236832 397539969 /nfs/dbraw/zinc/53/99/69/397539969.db2.gz KZOMQLNFMWRWJT-CYBMUJFWSA-N 1 3 320.397 0.381 20 5 DCBDHO O=[N+]([O-])c1ccc(N[C@H]2CCN(CCN3CC[NH2+]CC3)C2)nc1 ZINC000579236833 397539992 /nfs/dbraw/zinc/53/99/92/397539992.db2.gz KZOMQLNFMWRWJT-ZDUSSCGKSA-N 1 3 320.397 0.381 20 5 DCBDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000133341573 287009945 /nfs/dbraw/zinc/00/99/45/287009945.db2.gz HYBUVRMJDBRWBD-UHFFFAOYSA-N 1 3 324.385 0.947 20 5 DCBDHO [NH3+]C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230058 1165542467 /nfs/dbraw/zinc/54/24/67/1165542467.db2.gz XWKVGZXWVWQAKX-KBPBESRZSA-N 1 3 311.386 0.649 20 5 DCBDHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627658 956913249 /nfs/dbraw/zinc/91/32/49/956913249.db2.gz ASYIWTBJCYVIKK-TZMCWYRMSA-N 1 3 311.386 0.474 20 5 DCBDHO C[N@@H+]1CCCC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627658 956913263 /nfs/dbraw/zinc/91/32/63/956913263.db2.gz ASYIWTBJCYVIKK-TZMCWYRMSA-N 1 3 311.386 0.474 20 5 DCBDHO C[N@H+]1CCCC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627658 956913274 /nfs/dbraw/zinc/91/32/74/956913274.db2.gz ASYIWTBJCYVIKK-TZMCWYRMSA-N 1 3 311.386 0.474 20 5 DCBDHO COC(=O)[C@@H](CCC[NH3+])Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167899199 748472110 /nfs/dbraw/zinc/47/21/10/748472110.db2.gz INJFTCAGUIQMSC-LLVKDONJSA-N 1 3 308.338 0.890 20 5 DCBDHO C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000564793678 396869047 /nfs/dbraw/zinc/86/90/47/396869047.db2.gz RORRBBJOVPKCIJ-YPMHNXCESA-N 1 3 313.402 0.718 20 5 DCBDHO CC(C)[NH+]1CCC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000387326595 397294327 /nfs/dbraw/zinc/29/43/27/397294327.db2.gz CJGUUNMDLHNGDZ-AWEZNQCLSA-N 1 3 311.386 0.615 20 5 DCBDHO CN(C)CCN1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040098 760555802 /nfs/dbraw/zinc/55/58/02/760555802.db2.gz XWQZSGMVNYZUMJ-KBPBESRZSA-N 1 3 312.414 0.528 20 5 DCBDHO CN(C)CCN1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040098 760555804 /nfs/dbraw/zinc/55/58/04/760555804.db2.gz XWQZSGMVNYZUMJ-KBPBESRZSA-N 1 3 312.414 0.528 20 5 DCBDHO C[NH+](C)CCN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040098 760555807 /nfs/dbraw/zinc/55/58/07/760555807.db2.gz XWQZSGMVNYZUMJ-KBPBESRZSA-N 1 3 312.414 0.528 20 5 DCBDHO CN1CCC(O)(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001338492640 953020363 /nfs/dbraw/zinc/02/03/63/953020363.db2.gz VXZZCOLIKWYQSE-AWEZNQCLSA-N 1 3 309.366 0.675 20 5 DCBDHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317522 397155371 /nfs/dbraw/zinc/15/53/71/397155371.db2.gz LRMFDGTZGXDCEJ-OCCSQVGLSA-N 1 3 311.386 0.474 20 5 DCBDHO CCC[N@H+]1CC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317522 397155373 /nfs/dbraw/zinc/15/53/73/397155373.db2.gz LRMFDGTZGXDCEJ-OCCSQVGLSA-N 1 3 311.386 0.474 20 5 DCBDHO CCCN1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317522 397155376 /nfs/dbraw/zinc/15/53/76/397155376.db2.gz LRMFDGTZGXDCEJ-OCCSQVGLSA-N 1 3 311.386 0.474 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923363581 667515787 /nfs/dbraw/zinc/51/57/87/667515787.db2.gz CWHVBEWVWZJLSX-BPLDGKMQSA-N 1 3 323.397 0.616 20 5 DCBDHO C[NH+](C)CCOCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147842451 767859112 /nfs/dbraw/zinc/85/91/12/767859112.db2.gz YLXLPALYNURVNW-UHFFFAOYSA-N 1 3 324.381 0.379 20 5 DCBDHO CCN1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262561576 947727406 /nfs/dbraw/zinc/72/74/06/947727406.db2.gz AODDVYVFACSWJW-MRXNPFEDSA-N 1 3 322.409 0.855 20 5 DCBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352922505 415368365 /nfs/dbraw/zinc/36/83/65/415368365.db2.gz AHEMUZNASCCHDU-RLCAUIQDSA-N 1 3 323.397 0.709 20 5 DCBDHO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352922505 415368373 /nfs/dbraw/zinc/36/83/73/415368373.db2.gz AHEMUZNASCCHDU-RLCAUIQDSA-N 1 3 323.397 0.709 20 5 DCBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352922506 415370749 /nfs/dbraw/zinc/37/07/49/415370749.db2.gz AHEMUZNASCCHDU-YOOVYSLHSA-N 1 3 323.397 0.709 20 5 DCBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352922506 415370753 /nfs/dbraw/zinc/37/07/53/415370753.db2.gz AHEMUZNASCCHDU-YOOVYSLHSA-N 1 3 323.397 0.709 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923363582 667515767 /nfs/dbraw/zinc/51/57/67/667515767.db2.gz CWHVBEWVWZJLSX-CFVMTHIKSA-N 1 3 323.397 0.616 20 5 DCBDHO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC(=N)NCCCC[NH3+] ZINC001167878701 748459283 /nfs/dbraw/zinc/45/92/83/748459283.db2.gz OGSJVIXXZVFLIR-UHFFFAOYSA-N 1 3 324.341 0.760 20 5 DCBDHO COC(=O)c1cc([N+](=O)[O-])cc(NC(=[NH2+])N2CCN(C)CC2)n1 ZINC001168735472 753969924 /nfs/dbraw/zinc/96/99/24/753969924.db2.gz QQHVISGFHKKXQW-UHFFFAOYSA-N 1 3 322.325 0.370 20 5 DCBDHO O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C12CC[NH+](CC1)C2 ZINC001147970226 767889718 /nfs/dbraw/zinc/88/97/18/767889718.db2.gz CCSDFIJBBMPAQN-UHFFFAOYSA-N 1 3 318.377 0.896 20 5 DCBDHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506437 396618953 /nfs/dbraw/zinc/61/89/53/396618953.db2.gz CHEYJHDBYCGYDQ-GJZGRUSLSA-N 1 3 323.397 0.570 20 5 DCBDHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506437 396618954 /nfs/dbraw/zinc/61/89/54/396618954.db2.gz CHEYJHDBYCGYDQ-GJZGRUSLSA-N 1 3 323.397 0.570 20 5 DCBDHO C[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000315026148 396787828 /nfs/dbraw/zinc/78/78/28/396787828.db2.gz LVXYSGKIXBJKFT-OCCSQVGLSA-N 1 3 311.386 0.474 20 5 DCBDHO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCCC1 ZINC000315026148 396787834 /nfs/dbraw/zinc/78/78/34/396787834.db2.gz LVXYSGKIXBJKFT-OCCSQVGLSA-N 1 3 311.386 0.474 20 5 DCBDHO O=[N+]([O-])c1cc2c(cc1NC[C@]13C[NH2+]C[C@H]1COC3)CNC2 ZINC001163154853 772473589 /nfs/dbraw/zinc/47/35/89/772473589.db2.gz QGXBBPKOZUOLJD-WFASDCNBSA-N 1 3 304.350 0.846 20 5 DCBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749377 396997522 /nfs/dbraw/zinc/99/75/22/396997522.db2.gz MPXXUTDZRWWWIP-OUCADQQQSA-N 1 3 311.386 0.615 20 5 DCBDHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749377 396997525 /nfs/dbraw/zinc/99/75/25/396997525.db2.gz MPXXUTDZRWWWIP-OUCADQQQSA-N 1 3 311.386 0.615 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+](C3CCC3)CC2)c1 ZINC000579583806 397581797 /nfs/dbraw/zinc/58/17/97/397581797.db2.gz MQUKJRXMCUXCES-OAHLLOKOSA-N 1 3 323.397 0.759 20 5 DCBDHO C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000564793660 396869292 /nfs/dbraw/zinc/86/92/92/396869292.db2.gz RORRBBJOVPKCIJ-AAEUAGOBSA-N 1 3 313.402 0.718 20 5 DCBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749376 396997181 /nfs/dbraw/zinc/99/71/81/396997181.db2.gz MPXXUTDZRWWWIP-BZPMIXESSA-N 1 3 311.386 0.615 20 5 DCBDHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749376 396997185 /nfs/dbraw/zinc/99/71/85/396997185.db2.gz MPXXUTDZRWWWIP-BZPMIXESSA-N 1 3 311.386 0.615 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923363584 667515741 /nfs/dbraw/zinc/51/57/41/667515741.db2.gz CWHVBEWVWZJLSX-YUELXQCFSA-N 1 3 323.397 0.616 20 5 DCBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578480196 1165032344 /nfs/dbraw/zinc/03/23/44/1165032344.db2.gz AFKDVNXPSXVNRM-ZDUSSCGKSA-N 1 3 319.361 0.974 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000923280053 667492036 /nfs/dbraw/zinc/49/20/36/667492036.db2.gz CNXMNMQKMRIBQC-AWEZNQCLSA-N 1 3 309.370 0.369 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000562988455 396691363 /nfs/dbraw/zinc/69/13/63/396691363.db2.gz NUYQDBRWFAGIFT-HNNXBMFYSA-N 1 3 323.397 0.616 20 5 DCBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000578073515 397387544 /nfs/dbraw/zinc/38/75/44/397387544.db2.gz ODNBRXSFFKRJAN-KGLIPLIRSA-N 1 3 309.370 0.620 20 5 DCBDHO O=[N+]([O-])c1cc(F)cnc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247850019 945578011 /nfs/dbraw/zinc/57/80/11/945578011.db2.gz GPPFNFOLWGXIBI-UHFFFAOYSA-N 1 3 320.284 0.239 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c1 ZINC001357240594 957238219 /nfs/dbraw/zinc/23/82/19/957238219.db2.gz BXXUXCJKNJWYAG-MBNYWOFBSA-N 1 3 309.370 0.369 20 5 DCBDHO Cn1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c([N+](=O)[O-])n1 ZINC000923446697 667534658 /nfs/dbraw/zinc/53/46/58/667534658.db2.gz MZEYJSHLETUHHO-LBPRGKRZSA-N 1 3 309.370 0.658 20 5 DCBDHO O=C(NCCNCc1cccc([N+](=O)[O-])c1)C12CC[NH+](CC1)C2 ZINC001147971266 767889266 /nfs/dbraw/zinc/88/92/66/767889266.db2.gz YNLOBCLZMNLEBG-UHFFFAOYSA-N 1 3 318.377 0.896 20 5 DCBDHO CN1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21 ZINC001157283340 771576278 /nfs/dbraw/zinc/57/62/78/771576278.db2.gz URAWBUFLAYUAKZ-MFKMUULPSA-N 1 3 318.381 0.602 20 5 DCBDHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627654 956912178 /nfs/dbraw/zinc/91/21/78/956912178.db2.gz ASYIWTBJCYVIKK-JSGCOSHPSA-N 1 3 311.386 0.474 20 5 DCBDHO C[N@@H+]1CCCC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627654 956912188 /nfs/dbraw/zinc/91/21/88/956912188.db2.gz ASYIWTBJCYVIKK-JSGCOSHPSA-N 1 3 311.386 0.474 20 5 DCBDHO C[N@H+]1CCCC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627654 956912206 /nfs/dbraw/zinc/91/22/06/956912206.db2.gz ASYIWTBJCYVIKK-JSGCOSHPSA-N 1 3 311.386 0.474 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000314582496 396783356 /nfs/dbraw/zinc/78/33/56/396783356.db2.gz PRIWIZGTSWJWFI-RISCZKNCSA-N 1 3 309.370 0.226 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000314582496 396783360 /nfs/dbraw/zinc/78/33/60/396783360.db2.gz PRIWIZGTSWJWFI-RISCZKNCSA-N 1 3 309.370 0.226 20 5 DCBDHO CN(C)C1CN(c2nc(N3CC([NH+](C)C)C3)ccc2[N+](=O)[O-])C1 ZINC000276577719 415478317 /nfs/dbraw/zinc/47/83/17/415478317.db2.gz OGSBMIUYJSKWHJ-UHFFFAOYSA-N 1 3 320.397 0.490 20 5 DCBDHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435762 669203623 /nfs/dbraw/zinc/20/36/23/669203623.db2.gz NQFGNHHLYGTZIT-DYEKYZERSA-N 1 3 309.370 0.036 20 5 DCBDHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435762 669203626 /nfs/dbraw/zinc/20/36/26/669203626.db2.gz NQFGNHHLYGTZIT-DYEKYZERSA-N 1 3 309.370 0.036 20 5 DCBDHO CCOc1cnc(NC(=[NH2+])N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001168735134 753964518 /nfs/dbraw/zinc/96/45/18/753964518.db2.gz JLPZDRYCBHLHSX-UHFFFAOYSA-N 1 3 308.342 0.983 20 5 DCBDHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976814 395981421 /nfs/dbraw/zinc/98/14/21/395981421.db2.gz LDYQZUZGICDJAU-VHDGCEQUSA-N 1 3 323.397 0.568 20 5 DCBDHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976814 395981424 /nfs/dbraw/zinc/98/14/24/395981424.db2.gz LDYQZUZGICDJAU-VHDGCEQUSA-N 1 3 323.397 0.568 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000314582498 396782841 /nfs/dbraw/zinc/78/28/41/396782841.db2.gz PRIWIZGTSWJWFI-SMDDNHRTSA-N 1 3 309.370 0.226 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000314582498 396782847 /nfs/dbraw/zinc/78/28/47/396782847.db2.gz PRIWIZGTSWJWFI-SMDDNHRTSA-N 1 3 309.370 0.226 20 5 DCBDHO C[N@H+](CCCN1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269820 415937105 /nfs/dbraw/zinc/93/71/05/415937105.db2.gz MGTJOOUBMOQNAT-AWEZNQCLSA-N 1 3 311.386 0.570 20 5 DCBDHO C[N@@H+](CCCN1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269820 415937109 /nfs/dbraw/zinc/93/71/09/415937109.db2.gz MGTJOOUBMOQNAT-AWEZNQCLSA-N 1 3 311.386 0.570 20 5 DCBDHO CCC[NH+]1CCC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000314843701 261174124 /nfs/dbraw/zinc/17/41/24/261174124.db2.gz VPZJKVAGAAXORK-CQSZACIVSA-N 1 3 311.386 0.616 20 5 DCBDHO C[C@@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000315026146 396787373 /nfs/dbraw/zinc/78/73/73/396787373.db2.gz LVXYSGKIXBJKFT-GXTWGEPZSA-N 1 3 311.386 0.474 20 5 DCBDHO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCCC1 ZINC000315026146 396787375 /nfs/dbraw/zinc/78/73/75/396787375.db2.gz LVXYSGKIXBJKFT-GXTWGEPZSA-N 1 3 311.386 0.474 20 5 DCBDHO C[C@@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000315026147 396787478 /nfs/dbraw/zinc/78/74/78/396787478.db2.gz LVXYSGKIXBJKFT-JSGCOSHPSA-N 1 3 311.386 0.474 20 5 DCBDHO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCCC1 ZINC000315026147 396787481 /nfs/dbraw/zinc/78/74/81/396787481.db2.gz LVXYSGKIXBJKFT-JSGCOSHPSA-N 1 3 311.386 0.474 20 5 DCBDHO O=[N+]([O-])c1cnn(CCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000600760127 396940889 /nfs/dbraw/zinc/94/08/89/396940889.db2.gz QIJXRYZDULMHEM-OAHLLOKOSA-N 1 3 323.397 0.882 20 5 DCBDHO COc1ccc(CNCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414785316 417301950 /nfs/dbraw/zinc/30/19/50/417301950.db2.gz VBBZNCVWWOXRDO-UHFFFAOYSA-N 1 3 308.382 0.988 20 5 DCBDHO [NH3+]C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230059 1165543026 /nfs/dbraw/zinc/54/30/26/1165543026.db2.gz XWKVGZXWVWQAKX-KGLIPLIRSA-N 1 3 311.386 0.649 20 5 DCBDHO CCN1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001163772875 772568342 /nfs/dbraw/zinc/56/83/42/772568342.db2.gz QUGPBOZJRHWBLB-UHFFFAOYSA-N 1 3 306.370 0.604 20 5 DCBDHO [NH3+]C[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001246579366 945436016 /nfs/dbraw/zinc/43/60/16/945436016.db2.gz IVFZHRQREQEARN-LRDDRELGSA-N 1 3 320.393 0.815 20 5 DCBDHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506438 396619001 /nfs/dbraw/zinc/61/90/01/396619001.db2.gz CHEYJHDBYCGYDQ-HUUCEWRRSA-N 1 3 323.397 0.570 20 5 DCBDHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506438 396619002 /nfs/dbraw/zinc/61/90/02/396619002.db2.gz CHEYJHDBYCGYDQ-HUUCEWRRSA-N 1 3 323.397 0.570 20 5 DCBDHO CC[NH+]1CCC(N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386612 396731255 /nfs/dbraw/zinc/73/12/55/396731255.db2.gz ZUXXMIKHZRSWDK-CQSZACIVSA-N 1 3 311.386 0.568 20 5 DCBDHO CC[NH+]1CCC(N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386611 396731533 /nfs/dbraw/zinc/73/15/33/396731533.db2.gz ZUXXMIKHZRSWDK-AWEZNQCLSA-N 1 3 311.386 0.568 20 5 DCBDHO O=[N+]([O-])c1cccc(OCCN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348159 287293741 /nfs/dbraw/zinc/29/37/41/287293741.db2.gz JXLJCFUQXQIASU-HNNXBMFYSA-N 1 3 320.393 0.953 20 5 DCBDHO C[NH+](C)CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441176892 416662639 /nfs/dbraw/zinc/66/26/39/416662639.db2.gz AESWMDKXMKHXMM-CQSZACIVSA-N 1 3 311.386 0.426 20 5 DCBDHO O=[N+]([O-])c1cnn(C2CC(NC[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000876966839 668544281 /nfs/dbraw/zinc/54/42/81/668544281.db2.gz XADUFBQKDWMFRY-ORHYLEIMSA-N 1 3 309.370 0.541 20 5 DCBDHO [NH3+]C[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246583048 945435044 /nfs/dbraw/zinc/43/50/44/945435044.db2.gz IVFZHRQREQEARN-BLLLJJGKSA-N 1 3 320.393 0.815 20 5 DCBDHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246420194 945406806 /nfs/dbraw/zinc/40/68/06/945406806.db2.gz XTBLPCAHIMGGRV-JSGCOSHPSA-N 1 3 306.366 0.635 20 5 DCBDHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261826842 396070572 /nfs/dbraw/zinc/07/05/72/396070572.db2.gz BEKFGTBDCQMYSA-CYBMUJFWSA-N 1 3 306.366 0.882 20 5 DCBDHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000262003172 396089143 /nfs/dbraw/zinc/08/91/43/396089143.db2.gz VLJWKYMHJOIASL-CYBMUJFWSA-N 1 3 306.366 0.882 20 5 DCBDHO O=[N+]([O-])c1ccccc1OCCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349373 262369891 /nfs/dbraw/zinc/36/98/91/262369891.db2.gz OPXFXXONMNBRAX-AWEZNQCLSA-N 1 3 320.393 0.953 20 5 DCBDHO [NH3+]CCOCCOCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170511366 763454068 /nfs/dbraw/zinc/45/40/68/763454068.db2.gz PQBJZQAYMUDKNO-UHFFFAOYSA-N 1 3 310.354 0.602 20 5 DCBDHO CN1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21 ZINC001157283341 771576454 /nfs/dbraw/zinc/57/64/54/771576454.db2.gz URAWBUFLAYUAKZ-ZWNOBZJWSA-N 1 3 318.381 0.602 20 5 DCBDHO O=[N+]([O-])c1ccn(C2CCN(CCN3CC[NH2+]CC3)CC2)n1 ZINC000570632857 417375789 /nfs/dbraw/zinc/37/57/89/417375789.db2.gz CGQUWXRNUZMDTB-UHFFFAOYSA-N 1 3 308.386 0.333 20 5 DCBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749379 396997334 /nfs/dbraw/zinc/99/73/34/396997334.db2.gz MPXXUTDZRWWWIP-YRGRVCCFSA-N 1 3 311.386 0.615 20 5 DCBDHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749379 396997338 /nfs/dbraw/zinc/99/73/38/396997338.db2.gz MPXXUTDZRWWWIP-YRGRVCCFSA-N 1 3 311.386 0.615 20 5 DCBDHO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000584049416 416494578 /nfs/dbraw/zinc/49/45/78/416494578.db2.gz ZPLBTHOBBXEQCK-BXUZGUMPSA-N 1 3 309.370 0.392 20 5 DCBDHO CCOc1ccc([N+](=O)[O-])cc1CNCCN1CC[NH2+]CC1 ZINC000414870331 417310995 /nfs/dbraw/zinc/31/09/95/417310995.db2.gz SHDPCIZCQXYFRO-UHFFFAOYSA-N 1 3 308.382 0.988 20 5 DCBDHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261826850 396070517 /nfs/dbraw/zinc/07/05/17/396070517.db2.gz BEKFGTBDCQMYSA-ZDUSSCGKSA-N 1 3 306.366 0.882 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000314582495 396783012 /nfs/dbraw/zinc/78/30/12/396783012.db2.gz PRIWIZGTSWJWFI-FZMZJTMJSA-N 1 3 309.370 0.226 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000314582495 396783019 /nfs/dbraw/zinc/78/30/19/396783019.db2.gz PRIWIZGTSWJWFI-FZMZJTMJSA-N 1 3 309.370 0.226 20 5 DCBDHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317523 397156112 /nfs/dbraw/zinc/15/61/12/397156112.db2.gz LRMFDGTZGXDCEJ-TZMCWYRMSA-N 1 3 311.386 0.474 20 5 DCBDHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317523 397156121 /nfs/dbraw/zinc/15/61/21/397156121.db2.gz LRMFDGTZGXDCEJ-TZMCWYRMSA-N 1 3 311.386 0.474 20 5 DCBDHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317523 397156130 /nfs/dbraw/zinc/15/61/30/397156130.db2.gz LRMFDGTZGXDCEJ-TZMCWYRMSA-N 1 3 311.386 0.474 20 5 DCBDHO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CNCC23C[NH2+]C3)n1 ZINC001247838425 945576094 /nfs/dbraw/zinc/57/60/94/945576094.db2.gz WMIYUCPGKBMXPX-MRVPVSSYSA-N 1 3 320.284 0.455 20 5 DCBDHO CN1CCC(O)(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001338492641 953021156 /nfs/dbraw/zinc/02/11/56/953021156.db2.gz VXZZCOLIKWYQSE-CQSZACIVSA-N 1 3 309.366 0.675 20 5 DCBDHO COc1cc(CNCCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000414866220 417310042 /nfs/dbraw/zinc/31/00/42/417310042.db2.gz MPHJRBNTHHJYGB-UHFFFAOYSA-N 1 3 324.381 0.607 20 5 DCBDHO O=[N+]([O-])c1ccc(OCCN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349113 262370209 /nfs/dbraw/zinc/37/02/09/262370209.db2.gz NUJHAQPEARCJDE-OAHLLOKOSA-N 1 3 320.393 0.953 20 5 DCBDHO C[NH+](C)C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866010572 667360177 /nfs/dbraw/zinc/36/01/77/667360177.db2.gz MEOSOVDGSGAXQW-VXGBXAGGSA-N 1 3 323.397 0.871 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000562988457 396691135 /nfs/dbraw/zinc/69/11/35/396691135.db2.gz NUYQDBRWFAGIFT-OAHLLOKOSA-N 1 3 323.397 0.616 20 5 DCBDHO O=[N+]([O-])c1cc2c(cc1N[C@H]1COCCC13C[NH2+]C3)CNC2 ZINC001163074751 772454668 /nfs/dbraw/zinc/45/46/68/772454668.db2.gz ZEUXFRWBYMNAMV-AWEZNQCLSA-N 1 3 304.350 0.988 20 5 DCBDHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790822 396084113 /nfs/dbraw/zinc/08/41/13/396084113.db2.gz LDYQZUZGICDJAU-SNPRPXQTSA-N 1 3 323.397 0.568 20 5 DCBDHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790822 396084116 /nfs/dbraw/zinc/08/41/16/396084116.db2.gz LDYQZUZGICDJAU-SNPRPXQTSA-N 1 3 323.397 0.568 20 5 DCBDHO [NH3+]C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230060 1165542528 /nfs/dbraw/zinc/54/25/28/1165542528.db2.gz XWKVGZXWVWQAKX-UONOGXRCSA-N 1 3 311.386 0.649 20 5 DCBDHO CN1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21 ZINC001157283338 771576355 /nfs/dbraw/zinc/57/63/55/771576355.db2.gz URAWBUFLAYUAKZ-GWCFXTLKSA-N 1 3 318.381 0.602 20 5 DCBDHO CC(C)(O)C[NH+]1CCC(NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602567496 397441241 /nfs/dbraw/zinc/44/12/41/397441241.db2.gz DXMRXAQLMYDXKB-UHFFFAOYSA-N 1 3 311.386 0.616 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923363583 667515906 /nfs/dbraw/zinc/51/59/06/667515906.db2.gz CWHVBEWVWZJLSX-NWANDNLSSA-N 1 3 323.397 0.616 20 5 DCBDHO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc3c(cc2[N+](=O)[O-])CNC3)N1 ZINC001163249678 772490615 /nfs/dbraw/zinc/49/06/15/772490615.db2.gz LEWVNEACYSJWGB-JSGCOSHPSA-N 1 3 303.322 0.188 20 5 DCBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(O)CCNC[C@@H]1F)C2 ZINC001246080148 945335325 /nfs/dbraw/zinc/33/53/25/945335325.db2.gz GIHTXRVVCJBDQX-AEGPPILISA-N 1 3 309.341 0.714 20 5 DCBDHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246420195 945407549 /nfs/dbraw/zinc/40/75/49/945407549.db2.gz XTBLPCAHIMGGRV-OCCSQVGLSA-N 1 3 306.366 0.635 20 5 DCBDHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000262023213 396091617 /nfs/dbraw/zinc/09/16/17/396091617.db2.gz XVOQZDZOFNBYGN-ZDUSSCGKSA-N 1 3 306.366 0.882 20 5 DCBDHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317521 397155391 /nfs/dbraw/zinc/15/53/91/397155391.db2.gz LRMFDGTZGXDCEJ-JSGCOSHPSA-N 1 3 311.386 0.474 20 5 DCBDHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317521 397155394 /nfs/dbraw/zinc/15/53/94/397155394.db2.gz LRMFDGTZGXDCEJ-JSGCOSHPSA-N 1 3 311.386 0.474 20 5 DCBDHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317521 397155397 /nfs/dbraw/zinc/15/53/97/397155397.db2.gz LRMFDGTZGXDCEJ-JSGCOSHPSA-N 1 3 311.386 0.474 20 5 DCBDHO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)CN3CCCC3)CC2)n1 ZINC000785870534 669279946 /nfs/dbraw/zinc/27/99/46/669279946.db2.gz RKTFKEQVZWABCY-AWEZNQCLSA-N 1 3 323.397 0.885 20 5 DCBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578480195 1165032593 /nfs/dbraw/zinc/03/25/93/1165032593.db2.gz AFKDVNXPSXVNRM-CYBMUJFWSA-N 1 3 319.361 0.974 20 5 DCBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@]1(O)CCNC[C@@H]1F)C2 ZINC001246080304 945334804 /nfs/dbraw/zinc/33/48/04/945334804.db2.gz GIHTXRVVCJBDQX-VHDGCEQUSA-N 1 3 309.341 0.714 20 5 DCBDHO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000584049417 416494300 /nfs/dbraw/zinc/49/43/00/416494300.db2.gz ZPLBTHOBBXEQCK-FZMZJTMJSA-N 1 3 309.370 0.392 20 5 DCBDHO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc3c(cc2[N+](=O)[O-])CNC3)N1 ZINC001163249676 772490579 /nfs/dbraw/zinc/49/05/79/772490579.db2.gz LEWVNEACYSJWGB-GXTWGEPZSA-N 1 3 303.322 0.188 20 5 DCBDHO COC(=O)C1(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CC[NH2+]CC1 ZINC001166954269 772888494 /nfs/dbraw/zinc/88/84/94/772888494.db2.gz FWXKWPGDMFKRTA-UHFFFAOYSA-N 1 3 320.349 0.905 20 5 DCBDHO C[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000315026150 396787927 /nfs/dbraw/zinc/78/79/27/396787927.db2.gz LVXYSGKIXBJKFT-TZMCWYRMSA-N 1 3 311.386 0.474 20 5 DCBDHO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCCC1 ZINC000315026150 396787932 /nfs/dbraw/zinc/78/79/32/396787932.db2.gz LVXYSGKIXBJKFT-TZMCWYRMSA-N 1 3 311.386 0.474 20 5 DCBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000304321528 261174032 /nfs/dbraw/zinc/17/40/32/261174032.db2.gz QMYFTYLABOJWKZ-JSGCOSHPSA-N 1 3 311.386 0.426 20 5 DCBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000304321528 261174033 /nfs/dbraw/zinc/17/40/33/261174033.db2.gz QMYFTYLABOJWKZ-JSGCOSHPSA-N 1 3 311.386 0.426 20 5 DCBDHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435764 669203798 /nfs/dbraw/zinc/20/37/98/669203798.db2.gz NQFGNHHLYGTZIT-MBNYWOFBSA-N 1 3 309.370 0.036 20 5 DCBDHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435764 669203800 /nfs/dbraw/zinc/20/38/00/669203800.db2.gz NQFGNHHLYGTZIT-MBNYWOFBSA-N 1 3 309.370 0.036 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC2CC[NH+](C3CCC3)CC2)c1 ZINC000579583805 397581847 /nfs/dbraw/zinc/58/18/47/397581847.db2.gz MQUKJRXMCUXCES-HNNXBMFYSA-N 1 3 323.397 0.759 20 5 DCBDHO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000584049418 416495346 /nfs/dbraw/zinc/49/53/46/416495346.db2.gz ZPLBTHOBBXEQCK-RISCZKNCSA-N 1 3 309.370 0.392 20 5 DCBDHO CN1CCC[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790685 396084309 /nfs/dbraw/zinc/08/43/09/396084309.db2.gz LDYQZUZGICDJAU-QEJZJMRPSA-N 1 3 323.397 0.568 20 5 DCBDHO CN1CCC[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790685 396084312 /nfs/dbraw/zinc/08/43/12/396084312.db2.gz LDYQZUZGICDJAU-QEJZJMRPSA-N 1 3 323.397 0.568 20 5 DCBDHO C[NH+](C)CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441176890 416663686 /nfs/dbraw/zinc/66/36/86/416663686.db2.gz AESWMDKXMKHXMM-AWEZNQCLSA-N 1 3 311.386 0.426 20 5 DCBDHO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCNCC1 ZINC000923327353 667509598 /nfs/dbraw/zinc/50/95/98/667509598.db2.gz OTLNKSANGAFCDQ-AWEZNQCLSA-N 1 3 311.386 0.616 20 5 DCBDHO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCNCC1 ZINC000923327353 667509601 /nfs/dbraw/zinc/50/96/01/667509601.db2.gz OTLNKSANGAFCDQ-AWEZNQCLSA-N 1 3 311.386 0.616 20 5 DCBDHO CN(C)CCN1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040099 760556182 /nfs/dbraw/zinc/55/61/82/760556182.db2.gz XWQZSGMVNYZUMJ-KGLIPLIRSA-N 1 3 312.414 0.528 20 5 DCBDHO CN(C)CCN1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040099 760556186 /nfs/dbraw/zinc/55/61/86/760556186.db2.gz XWQZSGMVNYZUMJ-KGLIPLIRSA-N 1 3 312.414 0.528 20 5 DCBDHO C[NH+](C)CCN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040099 760556188 /nfs/dbraw/zinc/55/61/88/760556188.db2.gz XWQZSGMVNYZUMJ-KGLIPLIRSA-N 1 3 312.414 0.528 20 5 DCBDHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000262003175 396089404 /nfs/dbraw/zinc/08/94/04/396089404.db2.gz VLJWKYMHJOIASL-ZDUSSCGKSA-N 1 3 306.366 0.882 20 5 DCBDHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506439 396619285 /nfs/dbraw/zinc/61/92/85/396619285.db2.gz CHEYJHDBYCGYDQ-LSDHHAIUSA-N 1 3 323.397 0.570 20 5 DCBDHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506439 396619288 /nfs/dbraw/zinc/61/92/88/396619288.db2.gz CHEYJHDBYCGYDQ-LSDHHAIUSA-N 1 3 323.397 0.570 20 5 DCBDHO CN(CCOc1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000592472269 397185945 /nfs/dbraw/zinc/18/59/45/397185945.db2.gz QOOALTOCOYFECI-UHFFFAOYSA-N 1 3 308.382 0.811 20 5 DCBDHO CN(C)CCN(C)c1nc(N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000192325969 416302666 /nfs/dbraw/zinc/30/26/66/416302666.db2.gz OOZANNCNXJXDDK-UHFFFAOYSA-N 1 3 324.429 0.985 20 5 DCBDHO COc1cc(N2CCC(NC[C@H](O)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256084320 946583217 /nfs/dbraw/zinc/58/32/17/946583217.db2.gz ZITNHAQRACTQEY-CYBMUJFWSA-N 1 3 324.381 0.481 20 5 DCBDHO CN(CCOc1cccc([N+](=O)[O-])c1)CCN1CC[NH2+]CC1 ZINC000592471997 397186010 /nfs/dbraw/zinc/18/60/10/397186010.db2.gz CBICBQIGGFMGKG-UHFFFAOYSA-N 1 3 308.382 0.811 20 5 DCBDHO CCC[NH+]1CCC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000314843698 261174232 /nfs/dbraw/zinc/17/42/32/261174232.db2.gz VPZJKVAGAAXORK-AWEZNQCLSA-N 1 3 311.386 0.616 20 5 DCBDHO CN(CCN(C)C1CC[NH+](C)CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000089269229 415523045 /nfs/dbraw/zinc/52/30/45/415523045.db2.gz IYCDPXQJKSRATE-UHFFFAOYSA-N 1 3 324.429 0.749 20 5 DCBDHO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000584049419 416495992 /nfs/dbraw/zinc/49/59/92/416495992.db2.gz ZPLBTHOBBXEQCK-SMDDNHRTSA-N 1 3 309.370 0.392 20 5 DCBDHO COc1cc(N2CCC(NC[C@@H](O)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256084321 946584578 /nfs/dbraw/zinc/58/45/78/946584578.db2.gz ZITNHAQRACTQEY-ZDUSSCGKSA-N 1 3 324.381 0.481 20 5 DCBDHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000262023209 396090533 /nfs/dbraw/zinc/09/05/33/396090533.db2.gz XVOQZDZOFNBYGN-CYBMUJFWSA-N 1 3 306.366 0.882 20 5 DCBDHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170872867 766178640 /nfs/dbraw/zinc/17/86/40/766178640.db2.gz WBFXRGGLEQWWTE-DGCLKSJQSA-N 1 3 320.349 0.761 20 5 DCBDHO O=[N+]([O-])c1cccc(OCCN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348160 287293904 /nfs/dbraw/zinc/29/39/04/287293904.db2.gz JXLJCFUQXQIASU-OAHLLOKOSA-N 1 3 320.393 0.953 20 5 DCBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000530881327 417594809 /nfs/dbraw/zinc/59/48/09/417594809.db2.gz RSSDNYMKOBRWAW-UHFFFAOYSA-N 1 3 311.386 0.499 20 5 DCBDHO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCNCC1 ZINC000923327356 667509496 /nfs/dbraw/zinc/50/94/96/667509496.db2.gz OTLNKSANGAFCDQ-CQSZACIVSA-N 1 3 311.386 0.616 20 5 DCBDHO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCNCC1 ZINC000923327356 667509499 /nfs/dbraw/zinc/50/94/99/667509499.db2.gz OTLNKSANGAFCDQ-CQSZACIVSA-N 1 3 311.386 0.616 20 5 DCBDHO O=[N+]([O-])c1cc2c(cc1N[C@@H]1COCCC13C[NH2+]C3)CNC2 ZINC001163074752 772454849 /nfs/dbraw/zinc/45/48/49/772454849.db2.gz ZEUXFRWBYMNAMV-CQSZACIVSA-N 1 3 304.350 0.988 20 5 DCBDHO CN(CCOCC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600733774 396933644 /nfs/dbraw/zinc/93/36/44/396933644.db2.gz CUPOHATZUXFQSW-UHFFFAOYSA-N 1 3 310.354 0.831 20 5 DCBDHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317520 397155301 /nfs/dbraw/zinc/15/53/01/397155301.db2.gz LRMFDGTZGXDCEJ-GXTWGEPZSA-N 1 3 311.386 0.474 20 5 DCBDHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317520 397155304 /nfs/dbraw/zinc/15/53/04/397155304.db2.gz LRMFDGTZGXDCEJ-GXTWGEPZSA-N 1 3 311.386 0.474 20 5 DCBDHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317520 397155306 /nfs/dbraw/zinc/15/53/06/397155306.db2.gz LRMFDGTZGXDCEJ-GXTWGEPZSA-N 1 3 311.386 0.474 20 5 DCBDHO O=[N+]([O-])c1cnn(C2CC(NC[C@H](O)C[NH+]3CCCC3)C2)c1 ZINC000876966840 668544633 /nfs/dbraw/zinc/54/46/33/668544633.db2.gz XADUFBQKDWMFRY-YIZWMMSDSA-N 1 3 309.370 0.541 20 5 DCBDHO CCN1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336756529 952761756 /nfs/dbraw/zinc/76/17/56/952761756.db2.gz QAHRVALEETWLCO-INIZCTEOSA-N 1 3 322.409 0.855 20 5 DCBDHO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)CN3CCCC3)CC2)n1 ZINC000785870536 669279908 /nfs/dbraw/zinc/27/99/08/669279908.db2.gz RKTFKEQVZWABCY-CQSZACIVSA-N 1 3 323.397 0.885 20 5 DCBDHO CN1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21 ZINC001157283339 771576068 /nfs/dbraw/zinc/57/60/68/771576068.db2.gz URAWBUFLAYUAKZ-GXFFZTMASA-N 1 3 318.381 0.602 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000314582494 396782774 /nfs/dbraw/zinc/78/27/74/396782774.db2.gz PRIWIZGTSWJWFI-BXUZGUMPSA-N 1 3 309.370 0.226 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000314582494 396782778 /nfs/dbraw/zinc/78/27/78/396782778.db2.gz PRIWIZGTSWJWFI-BXUZGUMPSA-N 1 3 309.370 0.226 20 5 DCBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000304321532 261173610 /nfs/dbraw/zinc/17/36/10/261173610.db2.gz QMYFTYLABOJWKZ-OCCSQVGLSA-N 1 3 311.386 0.426 20 5 DCBDHO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000304321532 261173613 /nfs/dbraw/zinc/17/36/13/261173613.db2.gz QMYFTYLABOJWKZ-OCCSQVGLSA-N 1 3 311.386 0.426 20 5 DCBDHO C[C@@H](CN1CC[NH2+]CC1)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162097539 772325770 /nfs/dbraw/zinc/32/57/70/772325770.db2.gz SEMUWQIXOVIIGS-NSHDSACASA-N 1 3 305.382 0.904 20 5 DCBDHO CN1CCC[C@@](C)(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001162338627 772363328 /nfs/dbraw/zinc/36/33/28/772363328.db2.gz CRJZXJJMLJIEOG-CQSZACIVSA-N 1 3 306.370 0.968 20 5 DCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000923280061 667491820 /nfs/dbraw/zinc/49/18/20/667491820.db2.gz CNXMNMQKMRIBQC-CQSZACIVSA-N 1 3 309.370 0.369 20 5 DCBDHO CN1CCN(C(=[NH2+])Nc2cc3c(cc2[N+](=O)[O-])CNC3)CC1 ZINC001168736875 753990590 /nfs/dbraw/zinc/99/05/90/753990590.db2.gz LTORNWIOVKWTRQ-UHFFFAOYSA-N 1 3 304.354 0.792 20 5 DCBDHO O=[N+]([O-])c1cnn(CCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000600760123 396940756 /nfs/dbraw/zinc/94/07/56/396940756.db2.gz QIJXRYZDULMHEM-HNNXBMFYSA-N 1 3 323.397 0.882 20 5 DCBDHO CC(C)[NH+]1CCC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000387326597 397294408 /nfs/dbraw/zinc/29/44/08/397294408.db2.gz CJGUUNMDLHNGDZ-CQSZACIVSA-N 1 3 311.386 0.615 20 5 DCBDHO C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000564793677 396869419 /nfs/dbraw/zinc/86/94/19/396869419.db2.gz RORRBBJOVPKCIJ-WCQYABFASA-N 1 3 313.402 0.718 20 5 DCBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931478914 669210006 /nfs/dbraw/zinc/21/00/06/669210006.db2.gz HGDHKPCYFFREPO-UHFFFAOYSA-N 1 3 311.386 0.488 20 5 DCBDHO [NH3+]C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230061 1165543185 /nfs/dbraw/zinc/54/31/85/1165543185.db2.gz XWKVGZXWVWQAKX-ZIAGYGMSSA-N 1 3 311.386 0.649 20 5 DCBDHO