smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C)cs2)cc1F ZINC000097016766 185397630 /nfs/dbraw/zinc/39/76/30/185397630.db2.gz FHHNUGDBDYYKOR-GHMZBOCLSA-N 1 1 310.463 4.724 50 0 DJAAMO c1[nH+]c2cc(NCc3ccncc3)ccc2n1C1CCCCC1 ZINC000002347795 180920328 /nfs/dbraw/zinc/92/03/28/180920328.db2.gz FFYDHRUQCMCORE-UHFFFAOYSA-N 1 1 306.413 4.549 50 0 DJAAMO CCc1cc(OCCC[N@@H+](C)Cc2ccccc2)ccc1Cl ZINC000002825046 180961534 /nfs/dbraw/zinc/96/15/34/180961534.db2.gz DZSCDIGYHXMYGU-UHFFFAOYSA-N 1 1 317.860 4.803 50 0 DJAAMO C[C@H]1CCC[N@@H+](CCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004907169 181171387 /nfs/dbraw/zinc/17/13/87/181171387.db2.gz JBSPVQWXYLGOFN-KRWDZBQOSA-N 1 1 311.425 4.590 50 0 DJAAMO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc(Cl)c(Cl)c1 ZINC000080267465 192019266 /nfs/dbraw/zinc/01/92/66/192019266.db2.gz PIJWKFVFVXBWJZ-BDAKNGLRSA-N 1 1 301.242 4.862 50 0 DJAAMO c1ccc(SCCC[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006719357 181376387 /nfs/dbraw/zinc/37/63/87/181376387.db2.gz OKQKJELGHSNSRH-LJQANCHMSA-N 1 1 312.482 4.791 50 0 DJAAMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccc(Cl)cc1Cl ZINC000092195070 193172098 /nfs/dbraw/zinc/17/20/98/193172098.db2.gz FUWZTKMTRQTUDL-ZJUUUORDSA-N 1 1 313.203 4.939 50 0 DJAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000012762010 181794415 /nfs/dbraw/zinc/79/44/15/181794415.db2.gz JUHXCZPJMWNEDQ-LLVKDONJSA-N 1 1 318.467 4.966 50 0 DJAAMO Cc1oc(-c2ccsc2)nc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000012762010 181794416 /nfs/dbraw/zinc/79/44/16/181794416.db2.gz JUHXCZPJMWNEDQ-LLVKDONJSA-N 1 1 318.467 4.966 50 0 DJAAMO CCOC(=O)C(CC)=C(C)[NH2+]N(c1ccccc1)c1ccccc1 ZINC000020064343 182184807 /nfs/dbraw/zinc/18/48/07/182184807.db2.gz DZHZULVFOAOUHV-KNTRCKAVSA-N 1 1 324.424 4.576 50 0 DJAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000021720984 182286472 /nfs/dbraw/zinc/28/64/72/182286472.db2.gz AJPLNYVDTAHJJP-HNNXBMFYSA-N 1 1 304.821 4.536 50 0 DJAAMO C[C@H](c1ccccc1)n1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000021783132 182288244 /nfs/dbraw/zinc/28/82/44/182288244.db2.gz KLGLQUDDEUVFIY-QGZVFWFLSA-N 1 1 319.452 4.632 50 0 DJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000021720974 182286741 /nfs/dbraw/zinc/28/67/41/182286741.db2.gz WQFILYHPRQVSNA-OAHLLOKOSA-N 1 1 304.821 4.536 50 0 DJAAMO C[C@@H](C(=O)c1c[nH]c2ccccc21)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000058160439 184082163 /nfs/dbraw/zinc/08/21/63/184082163.db2.gz JEFSJEFTKOZECG-SUMWQHHRSA-N 1 1 324.449 4.638 50 0 DJAAMO Cc1ccccc1-c1ncc(C[N@@H+](C)[C@@H](C)c2ccco2)s1 ZINC000065376409 184331088 /nfs/dbraw/zinc/33/10/88/184331088.db2.gz AXXGSEPBYHDMIP-AWEZNQCLSA-N 1 1 312.438 4.905 50 0 DJAAMO Cc1ccccc1-c1ncc(C[N@H+](C)[C@@H](C)c2ccco2)s1 ZINC000065376409 184331089 /nfs/dbraw/zinc/33/10/89/184331089.db2.gz AXXGSEPBYHDMIP-AWEZNQCLSA-N 1 1 312.438 4.905 50 0 DJAAMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1oc(C(C)C)nc1C ZINC000428950591 338066252 /nfs/dbraw/zinc/06/62/52/338066252.db2.gz FSHXEKKLJUUORW-KRWDZBQOSA-N 1 1 316.445 4.698 50 0 DJAAMO Cc1cc(C)c(OCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000002823367 563912996 /nfs/dbraw/zinc/91/29/96/563912996.db2.gz NAQIZGMKQAIMPZ-CALCHBBNSA-N 1 1 303.490 4.749 50 0 DJAAMO COc1ccc2c(c1)C[N@H+](C)C[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000029230278 563433596 /nfs/dbraw/zinc/43/35/96/563433596.db2.gz ZJDCGVDEEHWEIG-HNNXBMFYSA-N 1 1 322.235 4.579 50 0 in-man DJAAMO Cc1[nH]c2ccccc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008662402 563348410 /nfs/dbraw/zinc/34/84/10/563348410.db2.gz FNTCDBLZRDMCFV-BTYIYWSLSA-N 1 1 324.468 4.649 50 0 DJAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CC(C)(C)C)C2)c1 ZINC000011912227 563360239 /nfs/dbraw/zinc/36/02/39/563360239.db2.gz QSMHNWVVRZTMSL-QGZVFWFLSA-N 1 1 311.473 4.611 50 0 DJAAMO CCc1ccc(C[NH2+]Cc2cccnc2Oc2ccccc2C)o1 ZINC000012435673 563370048 /nfs/dbraw/zinc/37/00/48/563370048.db2.gz CAACNLMNUWWEFM-UHFFFAOYSA-N 1 1 322.408 4.628 50 0 DJAAMO c1cc([C@H]2CCC[N@H+]2Cc2nc3ccccc3s2)cs1 ZINC000048235985 563417762 /nfs/dbraw/zinc/41/77/62/563417762.db2.gz BZBDEWXNCHNBHG-CQSZACIVSA-N 1 1 300.452 4.695 50 0 DJAAMO c1cc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)cs1 ZINC000048235985 563417764 /nfs/dbraw/zinc/41/77/64/563417764.db2.gz BZBDEWXNCHNBHG-CQSZACIVSA-N 1 1 300.452 4.695 50 0 DJAAMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@H]1CCCc2ccccc21 ZINC000029702587 563435538 /nfs/dbraw/zinc/43/55/38/563435538.db2.gz BXWOZYUCQOIIRN-FQEVSTJZSA-N 1 1 320.411 4.883 50 0 DJAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087320 563444359 /nfs/dbraw/zinc/44/43/59/563444359.db2.gz FKOBIOVFDIBBQD-QGZVFWFLSA-N 1 1 301.455 4.874 50 0 DJAAMO CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000002907788 563449569 /nfs/dbraw/zinc/44/95/69/563449569.db2.gz AMMZQPZCGAOENQ-OAQYLSRUSA-N 1 1 324.468 4.988 50 0 DJAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511300 563453470 /nfs/dbraw/zinc/45/34/70/563453470.db2.gz ADEVYAZOQULSKU-SFHVURJKSA-N 1 1 314.429 4.534 50 0 DJAAMO Cc1ccc2[nH+]c(-c3cccs3)c(NCc3ccccc3)n2c1 ZINC000000319786 563587946 /nfs/dbraw/zinc/58/79/46/563587946.db2.gz PWURZQOPRPXQBP-UHFFFAOYSA-N 1 1 319.433 4.983 50 0 DJAAMO C[N@H+](CC(=O)c1ccc(C2CCCC2)cc1)Cc1ccccc1 ZINC000004128915 563622740 /nfs/dbraw/zinc/62/27/40/563622740.db2.gz VWXBTOCUMUBABZ-UHFFFAOYSA-N 1 1 307.437 4.659 50 0 DJAAMO C[N@@H+](CC(=O)c1ccc(C2CCCC2)cc1)Cc1ccccc1 ZINC000004128915 563622742 /nfs/dbraw/zinc/62/27/42/563622742.db2.gz VWXBTOCUMUBABZ-UHFFFAOYSA-N 1 1 307.437 4.659 50 0 DJAAMO c1cc([C@@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)cs1 ZINC000048234750 563693391 /nfs/dbraw/zinc/69/33/91/563693391.db2.gz JNGYMEVZOOQQBK-INIZCTEOSA-N 1 1 310.422 4.740 50 0 DJAAMO c1cc([C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)cs1 ZINC000048234750 563693393 /nfs/dbraw/zinc/69/33/93/563693393.db2.gz JNGYMEVZOOQQBK-INIZCTEOSA-N 1 1 310.422 4.740 50 0 DJAAMO CCC[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000084740773 563830747 /nfs/dbraw/zinc/83/07/47/563830747.db2.gz SXSWLKUQIYJNSH-KBPBESRZSA-N 1 1 319.474 4.761 50 0 DJAAMO CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1 ZINC000035840992 563889555 /nfs/dbraw/zinc/88/95/55/563889555.db2.gz LHCHQKGQQPPTCS-UHFFFAOYSA-N 1 1 314.448 4.830 50 0 DJAAMO CC[C@H](C)[N@H+](Cc1ccc(C)cc1C)C[C@H](O)c1ccccc1 ZINC000036098914 563893994 /nfs/dbraw/zinc/89/39/94/563893994.db2.gz JYMONHZDXRAYTG-RXVVDRJESA-N 1 1 311.469 4.638 50 0 DJAAMO CCCOc1ccccc1CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000002087513 563913714 /nfs/dbraw/zinc/91/37/14/563913714.db2.gz CXMQRCPGLWUBHZ-HXUWFJFHSA-N 1 1 324.468 4.640 50 0 biogenic DJAAMO CCCCOc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000002119141 563914591 /nfs/dbraw/zinc/91/45/91/563914591.db2.gz BRUBSSKMCMFYCC-NRFANRHFSA-N 1 1 324.468 4.988 50 0 biogenic DJAAMO CC[N@@H+](C)Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553850 563918749 /nfs/dbraw/zinc/91/87/49/563918749.db2.gz ZUYHFXCKHPPLSY-UHFFFAOYSA-N 1 1 302.421 4.867 50 0 DJAAMO CC(C)c1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)on1 ZINC000095968043 563933106 /nfs/dbraw/zinc/93/31/06/563933106.db2.gz SASZBADDPSKKHW-JTQLQIEISA-N 1 1 313.228 4.956 50 0 DJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000008268525 563947486 /nfs/dbraw/zinc/94/74/86/563947486.db2.gz XNDVYZLSBLVSLY-KRWDZBQOSA-N 1 1 308.450 4.942 50 0 DJAAMO C[N@H+](Cc1nc2ccccc2o1)Cc1ccc(Cl)c(Cl)c1 ZINC000008532211 563948734 /nfs/dbraw/zinc/94/87/34/563948734.db2.gz SAUMJQRXGZVJGR-UHFFFAOYSA-N 1 1 321.207 4.767 50 0 DJAAMO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(Cl)c(Cl)c1 ZINC000008532211 563948735 /nfs/dbraw/zinc/94/87/35/563948735.db2.gz SAUMJQRXGZVJGR-UHFFFAOYSA-N 1 1 321.207 4.767 50 0 DJAAMO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1 ZINC000096997329 185395755 /nfs/dbraw/zinc/39/57/55/185395755.db2.gz POCWNSWMMDBTTN-JTQLQIEISA-N 1 1 320.223 4.721 50 0 DJAAMO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccccc1Oc1ccccc1 ZINC000095421567 185360591 /nfs/dbraw/zinc/36/05/91/185360591.db2.gz PZOJFRRUKHULCW-CVEARBPZSA-N 1 1 319.408 4.681 50 0 DJAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000003538720 181031252 /nfs/dbraw/zinc/03/12/52/181031252.db2.gz FKBSRPMENNIZGU-UHFFFAOYSA-N 1 1 316.489 4.604 50 0 DJAAMO CCC[C@@]1(c2cccc(OC)c2)CC[N@@H+](CCc2ccccc2)C1 ZINC000003634815 181042966 /nfs/dbraw/zinc/04/29/66/181042966.db2.gz GUNPVEYXZXMUHW-JOCHJYFZSA-N 1 1 323.480 4.682 50 0 DJAAMO c1ccc([C@H]2C3=C(CCCC3)[N@@H+]3CCO[C@@]34CCCC[C@@H]24)cc1 ZINC000004027512 181064173 /nfs/dbraw/zinc/06/41/73/181064173.db2.gz BERGZMFIKZYZDE-SESVDKBCSA-N 1 1 309.453 4.831 50 0 biogenic DJAAMO CCCC[C@H](CC)C(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000004123833 181076783 /nfs/dbraw/zinc/07/67/83/181076783.db2.gz VQMXUUAJYSOUIC-AWEZNQCLSA-N 1 1 314.473 4.604 50 0 DJAAMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000080267463 192018724 /nfs/dbraw/zinc/01/87/24/192018724.db2.gz PIJWKFVFVXBWJZ-IUCAKERBSA-N 1 1 301.242 4.862 50 0 DJAAMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837442 182020182 /nfs/dbraw/zinc/02/01/82/182020182.db2.gz YYXXAZGHOKZGPJ-HXUWFJFHSA-N 1 1 313.416 4.952 50 0 DJAAMO c1ccc(C2=CC[N@H+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000019530092 182128142 /nfs/dbraw/zinc/12/81/42/182128142.db2.gz SIMIASKPLUWJRG-UHFFFAOYSA-N 1 1 306.434 4.586 50 0 DJAAMO c1ccc(C2=CC[N@@H+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000019530092 182128145 /nfs/dbraw/zinc/12/81/45/182128145.db2.gz SIMIASKPLUWJRG-UHFFFAOYSA-N 1 1 306.434 4.586 50 0 DJAAMO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000040468531 183073498 /nfs/dbraw/zinc/07/34/98/183073498.db2.gz PCUZXESFAKORAE-CVEARBPZSA-N 1 1 321.424 4.765 50 0 DJAAMO C[C@H]1CCC[N@H+](Cn2c3cc(Cl)ccc3sc2=S)C1 ZINC000057556693 184041887 /nfs/dbraw/zinc/04/18/87/184041887.db2.gz KAEBHKBVJMYRCE-JTQLQIEISA-N 1 1 312.891 4.775 50 0 DJAAMO C[C@H]1CCC[N@@H+](Cn2c3cc(Cl)ccc3sc2=S)C1 ZINC000057556693 184041889 /nfs/dbraw/zinc/04/18/89/184041889.db2.gz KAEBHKBVJMYRCE-JTQLQIEISA-N 1 1 312.891 4.775 50 0 DJAAMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc(-c3ccccc3)no2)cc1 ZINC000059038229 184133970 /nfs/dbraw/zinc/13/39/70/184133970.db2.gz DNEFECVZRNFVGA-MRXNPFEDSA-N 1 1 306.409 4.843 50 0 DJAAMO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nc(C(C)(C)C)cs1 ZINC000194886663 563918460 /nfs/dbraw/zinc/91/84/60/563918460.db2.gz XYTLDHUBGWNOMR-RYUDHWBXSA-N 1 1 304.459 4.558 50 0 DJAAMO C[N@@H+](Cc1ccccc1)Cc1cncc(-c2cc(F)ccc2F)c1 ZINC000034670356 563310763 /nfs/dbraw/zinc/31/07/63/563310763.db2.gz HSPQZRDKUMFPIV-UHFFFAOYSA-N 1 1 324.374 4.659 50 0 DJAAMO CC[N@@H+](Cc1c(C)[nH]c2ccc(C)cc2c1=O)C1CCCCC1 ZINC000009861059 563354404 /nfs/dbraw/zinc/35/44/04/563354404.db2.gz GLYIFESJNHJGCF-UHFFFAOYSA-N 1 1 312.457 4.712 50 0 DJAAMO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cc(-c3ccccc3)no2)cc1 ZINC000028280955 563430854 /nfs/dbraw/zinc/43/08/54/563430854.db2.gz UUNPNWDUQLEHRB-FQEVSTJZSA-N 1 1 322.383 4.818 50 0 DJAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1O ZINC000033087148 563444020 /nfs/dbraw/zinc/44/40/20/563444020.db2.gz DKVDGSWGZILXQT-OAHLLOKOSA-N 1 1 317.454 4.580 50 0 DJAAMO CC(=O)c1cc(C[N@@H+](Cc2ccco2)[C@@H](C)C(C)C)cs1 ZINC000067934607 563493848 /nfs/dbraw/zinc/49/38/48/563493848.db2.gz KDLLPYBXVVECHQ-ZDUSSCGKSA-N 1 1 305.443 4.590 50 0 DJAAMO CC(=O)c1cc(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)cs1 ZINC000067934607 563493850 /nfs/dbraw/zinc/49/38/50/563493850.db2.gz KDLLPYBXVVECHQ-ZDUSSCGKSA-N 1 1 305.443 4.590 50 0 DJAAMO C[C@@H](c1ccc(-c2cccc3c(N)ccnc32)cc1)[NH+]1CCCC1 ZINC000096138481 563534096 /nfs/dbraw/zinc/53/40/96/563534096.db2.gz QKUHQUCSSHHIRP-HNNXBMFYSA-N 1 1 317.436 4.641 50 0 DJAAMO Fc1cccc(-c2[nH+]c3ccccn3c2NCc2ccccc2)c1 ZINC000000319601 563588260 /nfs/dbraw/zinc/58/82/60/563588260.db2.gz LKGUNNGZOTYGLW-UHFFFAOYSA-N 1 1 317.367 4.753 50 0 DJAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2oc3ccc(C)cc3c2C)on1 ZINC000216143128 563708479 /nfs/dbraw/zinc/70/84/79/563708479.db2.gz AIFIKUZSPZWRIB-MRXNPFEDSA-N 1 1 310.397 4.683 50 0 DJAAMO CCCCOc1cccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000002119145 563914664 /nfs/dbraw/zinc/91/46/64/563914664.db2.gz BRUBSSKMCMFYCC-OAQYLSRUSA-N 1 1 324.468 4.988 50 0 biogenic DJAAMO CC[N@H+]1CC[C@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000004558923 563915851 /nfs/dbraw/zinc/91/58/51/563915851.db2.gz DREIJDPUZJLEMI-HNNXBMFYSA-N 1 1 310.466 4.631 50 0 DJAAMO CCCC[N@H+]1CCCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000037522430 563918341 /nfs/dbraw/zinc/91/83/41/563918341.db2.gz GAZIFEWQSPHNHA-GOSISDBHSA-N 1 1 302.849 4.737 50 0 DJAAMO COc1ccccc1[C@H](C)[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000154360534 563926772 /nfs/dbraw/zinc/92/67/72/563926772.db2.gz KENYGLRKZCNWJQ-LIRRHRJNSA-N 1 1 323.440 4.619 50 0 DJAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2c(C)cc(Cl)cc2c1=O ZINC000008717229 563950053 /nfs/dbraw/zinc/95/00/53/563950053.db2.gz CGOIRUUKOBVITG-UHFFFAOYSA-N 1 1 320.864 4.833 50 0 DJAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O ZINC000008717944 563950163 /nfs/dbraw/zinc/95/01/63/563950163.db2.gz SULDGDVRYALXFD-UHFFFAOYSA-N 1 1 320.864 4.833 50 0 DJAAMO Fc1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)cc1Cl ZINC000007539894 568412405 /nfs/dbraw/zinc/41/24/05/568412405.db2.gz YAUIQXDBXGFDEM-UHFFFAOYSA-N 1 1 305.736 4.622 50 0 DJAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc3cc(F)ccc3o2)c1 ZINC000079092924 185157051 /nfs/dbraw/zinc/15/70/51/185157051.db2.gz VLKLMNJCJCIJLZ-QGZVFWFLSA-N 1 1 310.372 4.612 50 0 DJAAMO Cc1cn2c3ccccc3n(Cc3ccc(C(C)(C)C)cc3)c2[nH+]1 ZINC000000447914 180794421 /nfs/dbraw/zinc/79/44/21/180794421.db2.gz YPKGMGFRVCVWCI-UHFFFAOYSA-N 1 1 317.436 4.943 50 0 DJAAMO C[N@@H+](Cn1c2cc(Cl)ccc2oc1=S)C1CCCCC1 ZINC000003287264 181000973 /nfs/dbraw/zinc/00/09/73/181000973.db2.gz BMRIMGOGSBNCON-UHFFFAOYSA-N 1 1 310.850 4.839 50 0 DJAAMO Cc1cccc([C@@H]2[NH2+][C@H](c3cccc(C)c3)[C@H](C)C(=O)[C@@H]2C)c1 ZINC000004289846 181092750 /nfs/dbraw/zinc/09/27/50/181092750.db2.gz AHESAKCLGLIIOI-NFQUHZNNSA-N 1 1 307.437 4.530 50 0 DJAAMO Cc1ccccc1[C@@H]1[NH2+][C@H](c2ccccc2C)[C@H](C)C(=O)[C@@H]1C ZINC000004289842 181093074 /nfs/dbraw/zinc/09/30/74/181093074.db2.gz GZFSBHPTKSDFKX-NFQUHZNNSA-N 1 1 307.437 4.530 50 0 DJAAMO CC(C)(C)C1=C[C@H](c2ccccc2)[C@@H]2CCCC[C@]23OCC[N@@H+]13 ZINC000004769674 181149975 /nfs/dbraw/zinc/14/99/75/181149975.db2.gz PKMKJGOXZVPWQD-LQWHRVPQSA-N 1 1 311.469 4.933 50 0 DJAAMO CC1CC[NH+](Cn2c(-c3ccc(F)cc3)csc2=S)CC1 ZINC000004783952 181151774 /nfs/dbraw/zinc/15/17/74/181151774.db2.gz PNXMVCPYOCKBEK-UHFFFAOYSA-N 1 1 322.474 4.775 50 0 DJAAMO Cc1ccc(C(C)(C)C)c(OCC[N@H+](C)Cc2ccccc2)c1 ZINC000004913016 181172209 /nfs/dbraw/zinc/17/22/09/181172209.db2.gz AMWINQXEAZEFQX-UHFFFAOYSA-N 1 1 311.469 4.803 50 0 DJAAMO CC(C)c1cccc(OCC[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624345 181362135 /nfs/dbraw/zinc/36/21/35/181362135.db2.gz LGWMZWJFYITHPM-NRFANRHFSA-N 1 1 324.468 4.811 50 0 biogenic DJAAMO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)c1ccc(F)cn1 ZINC000092195073 193171903 /nfs/dbraw/zinc/17/19/03/193171903.db2.gz FUWZTKMTRQTUDL-NXEZZACHSA-N 1 1 313.203 4.939 50 0 DJAAMO CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837254 182020554 /nfs/dbraw/zinc/02/05/54/182020554.db2.gz GNQLQBOVZSTJCE-FQEVSTJZSA-N 1 1 313.416 4.952 50 0 DJAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cn(C(C)C)c3ccccc23)no1 ZINC000021719816 182286735 /nfs/dbraw/zinc/28/67/35/182286735.db2.gz JPVRRRQLRVVVEA-HXUWFJFHSA-N 1 1 323.440 4.856 50 0 DJAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cn(C(C)C)c3ccccc23)no1 ZINC000021719816 182286736 /nfs/dbraw/zinc/28/67/36/182286736.db2.gz JPVRRRQLRVVVEA-HXUWFJFHSA-N 1 1 323.440 4.856 50 0 DJAAMO N[C@@H](c1cccc2ccccc21)[C@H]([NH3+])c1cccc2ccccc21 ZINC000022457447 182321977 /nfs/dbraw/zinc/32/19/77/182321977.db2.gz VVJVMUUCGDSHBT-SZPZYZBQSA-N 1 1 312.416 4.693 50 0 DJAAMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCCc2ccccc21 ZINC000022515758 182324403 /nfs/dbraw/zinc/32/44/03/182324403.db2.gz ICMLILRWQPMURU-HXUWFJFHSA-N 1 1 302.421 4.744 50 0 DJAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)co2)c(C)c1 ZINC000065565557 184367109 /nfs/dbraw/zinc/36/71/09/184367109.db2.gz YWNJZQUCXXOBBG-IBGZPJMESA-N 1 1 321.424 4.624 50 0 DJAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)co2)c(C)c1 ZINC000065565557 184367110 /nfs/dbraw/zinc/36/71/10/184367110.db2.gz YWNJZQUCXXOBBG-IBGZPJMESA-N 1 1 321.424 4.624 50 0 DJAAMO c1coc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccccc3)cs2)c1 ZINC000012730379 257268264 /nfs/dbraw/zinc/26/82/64/257268264.db2.gz QZURTYXGWKGPIO-INIZCTEOSA-N 1 1 310.422 4.740 50 0 DJAAMO c1coc(-c2nc(C[N@H+]3CCC[C@H]3c3ccccc3)cs2)c1 ZINC000012730379 257268265 /nfs/dbraw/zinc/26/82/65/257268265.db2.gz QZURTYXGWKGPIO-INIZCTEOSA-N 1 1 310.422 4.740 50 0 DJAAMO CC(C)c1nnc(C[N@H+]2CCCCC[C@H]2C2CCCCC2)o1 ZINC000225397158 563753972 /nfs/dbraw/zinc/75/39/72/563753972.db2.gz ANZXYRNBUNRXDJ-INIZCTEOSA-N 1 1 305.466 4.518 50 0 DJAAMO CC(C)([NH2+]Cc1ccncc1Cl)c1ccc(F)cc1Cl ZINC000095963080 563932590 /nfs/dbraw/zinc/93/25/90/563932590.db2.gz GULVJAPKVOLTEB-UHFFFAOYSA-N 1 1 313.203 4.552 50 0 DJAAMO CC1=C(CC[N@H+](C)C[C@H](O)c2ccccc2)C(C)(C)CCC1 ZINC000002498583 563304498 /nfs/dbraw/zinc/30/44/98/563304498.db2.gz CMAXEUZLLRCSAR-IBGZPJMESA-N 1 1 301.474 4.569 50 0 DJAAMO CC[NH+](CC)c1ccc(Nc2ncnc3sc(C)cc32)cc1 ZINC000002879381 563316377 /nfs/dbraw/zinc/31/63/77/563316377.db2.gz OIUAFPYWXRFNLF-UHFFFAOYSA-N 1 1 312.442 4.590 50 0 DJAAMO CC(C)c1ccc(N[C@@H]2CCC[N@H+](C3CCSCC3)C2)cc1 ZINC000011821660 563360342 /nfs/dbraw/zinc/36/03/42/563360342.db2.gz IFNJEMLTBUVTTI-GOSISDBHSA-N 1 1 318.530 4.582 50 0 DJAAMO c1[nH]nc([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c1-c1ccccc1 ZINC000012244823 563365343 /nfs/dbraw/zinc/36/53/43/563365343.db2.gz AEDTYTAUJPFSKJ-PKOBYXMFSA-N 1 1 321.468 4.612 50 0 DJAAMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000032777540 563391412 /nfs/dbraw/zinc/39/14/12/563391412.db2.gz XPGUKTCDIPJPCC-GFCCVEGCSA-N 1 1 300.789 4.674 50 0 DJAAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000032777540 563391414 /nfs/dbraw/zinc/39/14/14/563391414.db2.gz XPGUKTCDIPJPCC-GFCCVEGCSA-N 1 1 300.789 4.674 50 0 DJAAMO COc1ccccc1/C=C\c1[nH+]c2ccccn2c1NC(C)(C)C ZINC000033482548 563592539 /nfs/dbraw/zinc/59/25/39/563592539.db2.gz BKKUMZMZKHZEOF-SEYXRHQNSA-N 1 1 321.424 4.724 50 0 DJAAMO Cc1ccc(/C=C\n2c3ccc(C)cc3c3c2CC[N@@H+](C)C3)cc1 ZINC000045374016 563688714 /nfs/dbraw/zinc/68/87/14/563688714.db2.gz PGTITFHSGHMHPT-RAXLEYEMSA-N 1 1 316.448 4.874 50 0 DJAAMO Cc1ccc(/C=C\n2c3ccc(C)cc3c3c2CC[N@H+](C)C3)cc1 ZINC000045374016 563688717 /nfs/dbraw/zinc/68/87/17/563688717.db2.gz PGTITFHSGHMHPT-RAXLEYEMSA-N 1 1 316.448 4.874 50 0 DJAAMO c1cc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3s2)cs1 ZINC000048235986 563694039 /nfs/dbraw/zinc/69/40/39/563694039.db2.gz BZBDEWXNCHNBHG-AWEZNQCLSA-N 1 1 300.452 4.695 50 0 DJAAMO c1cc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)cs1 ZINC000048235986 563694042 /nfs/dbraw/zinc/69/40/42/563694042.db2.gz BZBDEWXNCHNBHG-AWEZNQCLSA-N 1 1 300.452 4.695 50 0 DJAAMO c1csc([C@H]2CCC[N@H+]2Cc2coc(-c3ccccc3)n2)c1 ZINC000048262094 563694245 /nfs/dbraw/zinc/69/42/45/563694245.db2.gz JAUIIRQVGWYJLQ-MRXNPFEDSA-N 1 1 310.422 4.740 50 0 DJAAMO c1csc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)c1 ZINC000048262094 563694247 /nfs/dbraw/zinc/69/42/47/563694247.db2.gz JAUIIRQVGWYJLQ-MRXNPFEDSA-N 1 1 310.422 4.740 50 0 DJAAMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000215220478 563704660 /nfs/dbraw/zinc/70/46/60/563704660.db2.gz WHJJFUCBZSZRMY-MRXNPFEDSA-N 1 1 310.441 4.596 50 0 DJAAMO c1c(C[N@@H+]2CC=C(c3ccccc3)CC2)onc1-c1ccccc1 ZINC000012778871 563829709 /nfs/dbraw/zinc/82/97/09/563829709.db2.gz VNFLTXYAXZZBEY-UHFFFAOYSA-N 1 1 316.404 4.631 50 0 DJAAMO c1csc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccs3)c[nH]2)c1 ZINC000075109068 563860537 /nfs/dbraw/zinc/86/05/37/563860537.db2.gz YFOURHGMSNIJFZ-ZDUSSCGKSA-N 1 1 315.467 4.537 50 0 DJAAMO c1csc(-c2nc(C[N@H+]3CCC[C@H]3c3cccs3)c[nH]2)c1 ZINC000075109068 563860539 /nfs/dbraw/zinc/86/05/39/563860539.db2.gz YFOURHGMSNIJFZ-ZDUSSCGKSA-N 1 1 315.467 4.537 50 0 DJAAMO c1csc(-c2ncc(C[N@@H+]3CCC[C@H]3c3cccs3)[nH]2)c1 ZINC000075109068 563860540 /nfs/dbraw/zinc/86/05/40/563860540.db2.gz YFOURHGMSNIJFZ-ZDUSSCGKSA-N 1 1 315.467 4.537 50 0 DJAAMO c1csc(-c2ncc(C[N@H+]3CCC[C@H]3c3cccs3)[nH]2)c1 ZINC000075109068 563860542 /nfs/dbraw/zinc/86/05/42/563860542.db2.gz YFOURHGMSNIJFZ-ZDUSSCGKSA-N 1 1 315.467 4.537 50 0 DJAAMO S=c1sc2ccccc2n1C[N@@H+]1CCc2sccc2C1 ZINC000014309319 563910543 /nfs/dbraw/zinc/91/05/43/563910543.db2.gz RYVAHHCVJVPFDR-UHFFFAOYSA-N 1 1 318.492 4.510 50 0 DJAAMO S=c1sc2ccccc2n1C[N@H+]1CCc2sccc2C1 ZINC000014309319 563910544 /nfs/dbraw/zinc/91/05/44/563910544.db2.gz RYVAHHCVJVPFDR-UHFFFAOYSA-N 1 1 318.492 4.510 50 0 DJAAMO Cc1cc(Cl)cc(C)c1OCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000002823184 563913070 /nfs/dbraw/zinc/91/30/70/563913070.db2.gz JQTDKIIVIARNKU-CQSZACIVSA-N 1 1 309.881 4.848 50 0 DJAAMO Cc1cc(C)c(OCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000002823214 563913074 /nfs/dbraw/zinc/91/30/74/563913074.db2.gz XJKWPMGARWUVIU-GASCZTMLSA-N 1 1 309.881 4.704 50 0 DJAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccoc2)cc1C ZINC000037522282 563918356 /nfs/dbraw/zinc/91/83/56/563918356.db2.gz IOZVMTFMUZWCMR-NRFANRHFSA-N 1 1 320.436 4.693 50 0 DJAAMO CC[N@@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008717594 563950264 /nfs/dbraw/zinc/95/02/64/563950264.db2.gz GOKZCNBDUUJRFX-UHFFFAOYSA-N 1 1 320.436 4.579 50 0 DJAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000009911014 563957893 /nfs/dbraw/zinc/95/78/93/563957893.db2.gz SNXYGJNRKNUFMK-CYBMUJFWSA-N 1 1 318.848 4.667 50 0 DJAAMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cn1 ZINC000095422096 185360947 /nfs/dbraw/zinc/36/09/47/185360947.db2.gz AMZFBLPMXUHSID-OLZOCXBDSA-N 1 1 320.506 4.630 50 0 DJAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072480436 191180763 /nfs/dbraw/zinc/18/07/63/191180763.db2.gz APLRFTBOKJCZFX-CYBMUJFWSA-N 1 1 321.380 4.609 50 0 DJAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@H]3C)c2cc1C(C)C ZINC000003348964 181009693 /nfs/dbraw/zinc/00/96/93/181009693.db2.gz QNCWBBRDUXIFFV-OAHLLOKOSA-N 1 1 313.441 4.599 50 0 DJAAMO [NH2+]=C1c2ccccc2CN1c1cccc(Oc2ccccc2)c1 ZINC000003885546 181052185 /nfs/dbraw/zinc/05/21/85/181052185.db2.gz RRMKATKXVYKVNF-UHFFFAOYSA-N 1 1 300.361 4.824 50 0 DJAAMO CC1=CC[C@H](C[N@H+](CCCN(C)C)C[C@@H]2CC=C(C)CC2)CC1 ZINC000004023175 181063641 /nfs/dbraw/zinc/06/36/41/181063641.db2.gz FPDWDQUBDAOXGY-OYRHEFFESA-N 1 1 318.549 4.733 50 0 biogenic DJAAMO CC1=CC[C@H](C[N@@H+](CCCN(C)C)C[C@@H]2CC=C(C)CC2)CC1 ZINC000004023175 181063644 /nfs/dbraw/zinc/06/36/44/181063644.db2.gz FPDWDQUBDAOXGY-OYRHEFFESA-N 1 1 318.549 4.733 50 0 biogenic DJAAMO c1cnc2c(c1)cccc2SC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004029137 181064258 /nfs/dbraw/zinc/06/42/58/181064258.db2.gz AGHBXQNGLDCAHT-DLBZAZTESA-N 1 1 312.482 4.591 50 0 biogenic DJAAMO c1ccc([C@@H]2C3=C(CCCC3)[N@@H+]3CCO[C@@]34CCCC[C@@H]24)cc1 ZINC000004027513 181064454 /nfs/dbraw/zinc/06/44/54/181064454.db2.gz BERGZMFIKZYZDE-CEWLAPEOSA-N 1 1 309.453 4.831 50 0 biogenic DJAAMO CCCC[C@@H](CC)C(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000004123832 181076624 /nfs/dbraw/zinc/07/66/24/181076624.db2.gz VQMXUUAJYSOUIC-CQSZACIVSA-N 1 1 314.473 4.604 50 0 DJAAMO Cc1ccccc1[C@@H]1[NH2+][C@H](c2ccccc2C)[C@@H](C)C(=O)[C@@H]1C ZINC000004289844 181092810 /nfs/dbraw/zinc/09/28/10/181092810.db2.gz GZFSBHPTKSDFKX-SMOSDQRPSA-N 1 1 307.437 4.530 50 0 DJAAMO CCCC[N@@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000004680200 181136320 /nfs/dbraw/zinc/13/63/20/181136320.db2.gz ITARZSYJSDVROV-UHFFFAOYSA-N 1 1 313.441 4.506 50 0 DJAAMO Cc1c(Cl)cccc1-c1ccc(C[NH2+]Cc2ccco2)o1 ZINC000007539335 181474026 /nfs/dbraw/zinc/47/40/26/181474026.db2.gz ZSOGONVSPNUGQT-UHFFFAOYSA-N 1 1 301.773 4.791 50 0 DJAAMO CCc1ccc2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008714153 181577126 /nfs/dbraw/zinc/57/71/26/181577126.db2.gz GKOCZMCOMJORNV-UHFFFAOYSA-N 1 1 312.457 4.576 50 0 DJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000015836955 182020389 /nfs/dbraw/zinc/02/03/89/182020389.db2.gz QBXMENDOXLTXGU-SFHVURJKSA-N 1 1 301.817 4.686 50 0 DJAAMO Fc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000015836709 182020707 /nfs/dbraw/zinc/02/07/07/182020707.db2.gz TUJLQCIHEHSNRV-KRWDZBQOSA-N 1 1 307.771 4.955 50 0 DJAAMO Fc1cc(F)cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000015836709 182020709 /nfs/dbraw/zinc/02/07/09/182020709.db2.gz TUJLQCIHEHSNRV-KRWDZBQOSA-N 1 1 307.771 4.955 50 0 DJAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(SC)cc1 ZINC000015866939 182023242 /nfs/dbraw/zinc/02/32/42/182023242.db2.gz LQOQORTUXPHQSN-INIZCTEOSA-N 1 1 316.470 4.604 50 0 DJAAMO CCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000017207317 182079948 /nfs/dbraw/zinc/07/99/48/182079948.db2.gz WYTPYNYFQAORGV-PLACYPQZSA-N 1 1 309.453 4.582 50 0 DJAAMO Cc1oc(-c2ccco2)nc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000020785735 182247432 /nfs/dbraw/zinc/24/74/32/182247432.db2.gz LCRJKRFTMQMGBS-KRWDZBQOSA-N 1 1 322.408 4.623 50 0 DJAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)C1CCC(C)CC1 ZINC000039978296 183026902 /nfs/dbraw/zinc/02/69/02/183026902.db2.gz GIRSGUUKUKILOR-UHFFFAOYSA-N 1 1 316.489 4.567 50 0 DJAAMO CC[C@@H](C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000042995781 183326141 /nfs/dbraw/zinc/32/61/41/183326141.db2.gz SWUDAORZJLYOIE-QAPCUYQASA-N 1 1 311.473 4.611 50 0 DJAAMO COc1ccc(C[N@@H+](C)C2c3ccccc3-c3ccccc32)cc1 ZINC000058163345 184083046 /nfs/dbraw/zinc/08/30/46/184083046.db2.gz XTWWYLPZORXWTF-UHFFFAOYSA-N 1 1 315.416 4.897 50 0 DJAAMO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064667115 184302100 /nfs/dbraw/zinc/30/21/00/184302100.db2.gz BYLSGYPGRQZMOL-KRWDZBQOSA-N 1 1 314.429 4.534 50 0 DJAAMO CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064667115 184302101 /nfs/dbraw/zinc/30/21/01/184302101.db2.gz BYLSGYPGRQZMOL-KRWDZBQOSA-N 1 1 314.429 4.534 50 0 DJAAMO CC(C)c1cc(C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)on1 ZINC000095968044 563933074 /nfs/dbraw/zinc/93/30/74/563933074.db2.gz SASZBADDPSKKHW-SNVBAGLBSA-N 1 1 313.228 4.956 50 0 DJAAMO Cc1ccc(C(C)C)c(OCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000002839770 563314357 /nfs/dbraw/zinc/31/43/57/563314357.db2.gz RCPSBCNJFQYDLM-UHFFFAOYSA-N 1 1 323.480 4.946 50 0 DJAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000012001959 563360886 /nfs/dbraw/zinc/36/08/86/563360886.db2.gz NUPZIZLEOOWBQH-UHFFFAOYSA-N 1 1 310.441 4.579 50 0 DJAAMO CC[C@H]1C(=O)[C@@H](CC)[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000012563527 563370966 /nfs/dbraw/zinc/37/09/66/563370966.db2.gz UWLZKFVZABBKHL-YRPNKDGESA-N 1 1 307.437 4.694 50 0 DJAAMO CC[N@H+]1[C@@H](c2ccccc2)[C@H](C)C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000013468439 563382150 /nfs/dbraw/zinc/38/21/50/563382150.db2.gz SFCJAXKHIYXCGG-CPLUKWAASA-N 1 1 307.437 4.646 50 0 DJAAMO CCC(C)(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013512582 563382867 /nfs/dbraw/zinc/38/28/67/563382867.db2.gz MQHLMHIZUIDKOO-KURKYZTESA-N 1 1 317.517 4.662 50 0 world DJAAMO Clc1ccc(-c2cc(C[N@H+]3CCc4ccccc4C3)on2)cc1 ZINC000014241636 563398765 /nfs/dbraw/zinc/39/87/65/563398765.db2.gz TVWMCYFWDNVPAH-UHFFFAOYSA-N 1 1 324.811 4.553 50 0 DJAAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015074946 563406884 /nfs/dbraw/zinc/40/68/84/563406884.db2.gz DBZMDKLQSGLMBX-OAHLLOKOSA-N 1 1 305.849 4.567 50 0 DJAAMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000026480330 563426099 /nfs/dbraw/zinc/42/60/99/563426099.db2.gz MFVQUZVRKSAENE-QGZVFWFLSA-N 1 1 324.468 4.577 50 0 DJAAMO C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@H]2CCCC[C@@H]12 ZINC000247856823 563572476 /nfs/dbraw/zinc/57/24/76/563572476.db2.gz XWEBGPXGDINQEI-NJAFHUGGSA-N 1 1 310.441 4.742 50 0 DJAAMO c1csc(-c2nc(C[N@H+]3CCC[C@H]3C3CCCCC3)co2)c1 ZINC000048324835 563696285 /nfs/dbraw/zinc/69/62/85/563696285.db2.gz GIULYZIRLQKQDX-INIZCTEOSA-N 1 1 316.470 4.948 50 0 DJAAMO CC[C@H](c1ccccn1)[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215538971 563706565 /nfs/dbraw/zinc/70/65/65/563706565.db2.gz MRFPTOCWVRHKQV-LJQANCHMSA-N 1 1 324.472 4.502 50 0 DJAAMO CC[C@H](c1ccccn1)[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215538971 563706567 /nfs/dbraw/zinc/70/65/67/563706567.db2.gz MRFPTOCWVRHKQV-LJQANCHMSA-N 1 1 324.472 4.502 50 0 DJAAMO Cc1cccc([C@@H]2[NH2+][C@H](c3cccc(C)c3)[C@@H](C)C(=O)[C@H]2C)c1 ZINC000229875631 563773333 /nfs/dbraw/zinc/77/33/33/563773333.db2.gz AHESAKCLGLIIOI-OBMJPTGESA-N 1 1 307.437 4.530 50 0 DJAAMO CCC[C@]1(O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)[C@@H]1C ZINC000013750293 563773770 /nfs/dbraw/zinc/77/37/70/563773770.db2.gz WIWFYRAALDRLRH-UPZYVNNASA-N 1 1 323.480 4.972 50 0 DJAAMO O=C(CCCCC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000001836372 563796091 /nfs/dbraw/zinc/79/60/91/563796091.db2.gz GPDWSJFEXHOPHY-NRFANRHFSA-N 1 1 321.464 4.919 50 0 DJAAMO CCC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000084740769 563830556 /nfs/dbraw/zinc/83/05/56/563830556.db2.gz SXSWLKUQIYJNSH-UONOGXRCSA-N 1 1 319.474 4.761 50 0 DJAAMO CCC1CCC(N2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 ZINC000239296773 563879694 /nfs/dbraw/zinc/87/96/94/563879694.db2.gz DGZHQCBZSBQFIX-CGNZLSCGSA-N 1 1 318.549 4.684 50 0 DJAAMO CC(C)c1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000244866406 563881400 /nfs/dbraw/zinc/88/14/00/563881400.db2.gz VVOZPRDRWVBYSI-FUHWJXTLSA-N 1 1 311.473 4.516 50 0 DJAAMO c1csc(-c2cc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)no2)c1 ZINC000170626886 563908825 /nfs/dbraw/zinc/90/88/25/563908825.db2.gz FKGITLWUKUNCEV-GOSISDBHSA-N 1 1 314.454 4.725 50 0 DJAAMO CCCC[N@H+]1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000002129354 563915226 /nfs/dbraw/zinc/91/52/26/563915226.db2.gz WSAQWMOUISYVFR-UHFFFAOYSA-N 1 1 318.464 4.848 50 0 biogenic DJAAMO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nc(C(C)(C)C)cs1 ZINC000194886687 563918590 /nfs/dbraw/zinc/91/85/90/563918590.db2.gz XYTLDHUBGWNOMR-NWDGAFQWSA-N 1 1 304.459 4.558 50 0 DJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCCOc2cccc3ccccc32)C1 ZINC000002295455 563925547 /nfs/dbraw/zinc/92/55/47/563925547.db2.gz JOERLAXSSSJOHH-HDICACEKSA-N 1 1 311.469 4.977 50 0 DJAAMO c1csc(-c2cc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)no2)c1 ZINC000057590571 563941936 /nfs/dbraw/zinc/94/19/36/563941936.db2.gz ZCRCKCFAYICQFN-ZFWWWQNUSA-N 1 1 302.443 4.558 50 0 DJAAMO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccccc3C)o2)cc1 ZINC000008325300 563947765 /nfs/dbraw/zinc/94/77/65/563947765.db2.gz JTOPHLUTGSKKFP-INIZCTEOSA-N 1 1 321.424 4.546 50 0 DJAAMO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3C)o2)cc1 ZINC000008325300 563947766 /nfs/dbraw/zinc/94/77/66/563947766.db2.gz JTOPHLUTGSKKFP-INIZCTEOSA-N 1 1 321.424 4.546 50 0 DJAAMO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000008323832 563947930 /nfs/dbraw/zinc/94/79/30/563947930.db2.gz JZPSUMZEXKBGNE-INIZCTEOSA-N 1 1 321.424 4.546 50 0 DJAAMO Cc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000008323832 563947931 /nfs/dbraw/zinc/94/79/31/563947931.db2.gz JZPSUMZEXKBGNE-INIZCTEOSA-N 1 1 321.424 4.546 50 0 DJAAMO Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)[C@H](C)C(=O)[C@@H]2C)cc1 ZINC000095481293 185373976 /nfs/dbraw/zinc/37/39/76/185373976.db2.gz ORKDRKWSOGIHNW-NFQUHZNNSA-N 1 1 307.437 4.530 50 0 DJAAMO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1 ZINC000096997333 185395609 /nfs/dbraw/zinc/39/56/09/185395609.db2.gz POCWNSWMMDBTTN-SNVBAGLBSA-N 1 1 320.223 4.721 50 0 DJAAMO Cc1csc([C@@H](C)Nc2cc[nH+]c3ccc(Cl)cc23)n1 ZINC000097002043 185396484 /nfs/dbraw/zinc/39/64/84/185396484.db2.gz JMBPDEXOXGIACG-SNVBAGLBSA-N 1 1 303.818 4.826 50 0 DJAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000095468626 185372268 /nfs/dbraw/zinc/37/22/68/185372268.db2.gz ZIBBOYCVETUNMH-KRWDZBQOSA-N 1 1 302.421 4.942 50 0 DJAAMO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)on1 ZINC000064984512 190706699 /nfs/dbraw/zinc/70/66/99/190706699.db2.gz FVURQUXGCZXLES-INIZCTEOSA-N 1 1 304.821 4.789 50 0 DJAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)on1 ZINC000064984512 190706700 /nfs/dbraw/zinc/70/67/00/190706700.db2.gz FVURQUXGCZXLES-INIZCTEOSA-N 1 1 304.821 4.789 50 0 DJAAMO CCC[C@]1(c2cccc(OC)c2)CC[N@@H+](CCc2ccccc2)C1 ZINC000003634816 181042951 /nfs/dbraw/zinc/04/29/51/181042951.db2.gz GUNPVEYXZXMUHW-QFIPXVFZSA-N 1 1 323.480 4.682 50 0 DJAAMO O=C(C[NH+]1CCCCC1)OC1CCCCCCCCCCC1 ZINC000004184485 181082367 /nfs/dbraw/zinc/08/23/67/181082367.db2.gz AIYPHYUTIQDYMN-UHFFFAOYSA-N 1 1 309.494 4.689 50 0 DJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccccc2-c2ccccc2)C1 ZINC000004906403 181171231 /nfs/dbraw/zinc/17/12/31/181171231.db2.gz PIIJMQPDMDUIKD-HDICACEKSA-N 1 1 309.453 4.710 50 0 DJAAMO C[C@@H]1CCC[N@@H+](CCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004907167 181171561 /nfs/dbraw/zinc/17/15/61/181171561.db2.gz JBSPVQWXYLGOFN-QGZVFWFLSA-N 1 1 311.425 4.590 50 0 DJAAMO CCCC[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000015068663 181986382 /nfs/dbraw/zinc/98/63/82/181986382.db2.gz RPCAKLDSABZYSQ-UHFFFAOYSA-N 1 1 321.424 4.539 50 0 DJAAMO CCCC[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000015068663 181986385 /nfs/dbraw/zinc/98/63/85/181986385.db2.gz RPCAKLDSABZYSQ-UHFFFAOYSA-N 1 1 321.424 4.539 50 0 DJAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)cc1 ZINC000015452665 182003009 /nfs/dbraw/zinc/00/30/09/182003009.db2.gz HLCQUORWVBMROA-QGZVFWFLSA-N 1 1 324.449 4.642 50 0 DJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3s2)cc1 ZINC000015452665 182003011 /nfs/dbraw/zinc/00/30/11/182003011.db2.gz HLCQUORWVBMROA-QGZVFWFLSA-N 1 1 324.449 4.642 50 0 DJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)cc1 ZINC000015452664 182003065 /nfs/dbraw/zinc/00/30/65/182003065.db2.gz HLCQUORWVBMROA-KRWDZBQOSA-N 1 1 324.449 4.642 50 0 DJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3s2)cc1 ZINC000015452664 182003066 /nfs/dbraw/zinc/00/30/66/182003066.db2.gz HLCQUORWVBMROA-KRWDZBQOSA-N 1 1 324.449 4.642 50 0 DJAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000015836746 182020401 /nfs/dbraw/zinc/02/04/01/182020401.db2.gz IWHUTNKXMYPVPB-GOSISDBHSA-N 1 1 301.817 4.686 50 0 DJAAMO CCCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837445 182020467 /nfs/dbraw/zinc/02/04/67/182020467.db2.gz YYXXAZGHOKZGPJ-FQEVSTJZSA-N 1 1 313.416 4.952 50 0 DJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000015837075 182020582 /nfs/dbraw/zinc/02/05/82/182020582.db2.gz BQBQAVUGVOFUKW-GOSISDBHSA-N 1 1 301.817 4.686 50 0 DJAAMO CC[C@H](C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000019228945 182109246 /nfs/dbraw/zinc/10/92/46/182109246.db2.gz SWUDAORZJLYOIE-MAUKXSAKSA-N 1 1 311.473 4.611 50 0 DJAAMO C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1Cl ZINC000020567399 182233073 /nfs/dbraw/zinc/23/30/73/182233073.db2.gz RCRHJXCDQPWSDT-LLVKDONJSA-N 1 1 302.830 4.801 50 0 DJAAMO C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@@H]2CCCC[C@@H]12 ZINC000032928788 182682091 /nfs/dbraw/zinc/68/20/91/182682091.db2.gz XWEBGPXGDINQEI-BPQIPLTHSA-N 1 1 310.441 4.742 50 0 DJAAMO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000040468538 183073504 /nfs/dbraw/zinc/07/35/04/183073504.db2.gz PCUZXESFAKORAE-JKSUJKDBSA-N 1 1 321.424 4.765 50 0 DJAAMO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000040468536 183073658 /nfs/dbraw/zinc/07/36/58/183073658.db2.gz PCUZXESFAKORAE-HZPDHXFCSA-N 1 1 321.424 4.765 50 0 DJAAMO Clc1ccc(C[N@H+](Cc2nc3ccccc3o2)C2CC2)cc1 ZINC000059388086 184138170 /nfs/dbraw/zinc/13/81/70/184138170.db2.gz OTOFOHAARACWAT-UHFFFAOYSA-N 1 1 312.800 4.646 50 0 DJAAMO Clc1ccc(C[N@@H+](Cc2nc3ccccc3o2)C2CC2)cc1 ZINC000059388086 184138171 /nfs/dbraw/zinc/13/81/71/184138171.db2.gz OTOFOHAARACWAT-UHFFFAOYSA-N 1 1 312.800 4.646 50 0 DJAAMO c1ccc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000059601410 184139561 /nfs/dbraw/zinc/13/95/61/184139561.db2.gz GLAMCKIBNCIMFW-UHFFFAOYSA-N 1 1 315.416 4.539 50 0 DJAAMO Cc1noc(C)c1C[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000060562392 184152535 /nfs/dbraw/zinc/15/25/35/184152535.db2.gz SKBLVZSUMANJIL-UHFFFAOYSA-N 1 1 318.848 4.890 50 0 DJAAMO Cc1noc(C)c1C[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000060562392 184152536 /nfs/dbraw/zinc/15/25/36/184152536.db2.gz SKBLVZSUMANJIL-UHFFFAOYSA-N 1 1 318.848 4.890 50 0 DJAAMO c1coc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccccc3)cs2)c1 ZINC000012730381 257268294 /nfs/dbraw/zinc/26/82/94/257268294.db2.gz QZURTYXGWKGPIO-MRXNPFEDSA-N 1 1 310.422 4.740 50 0 DJAAMO c1coc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccccc3)cs2)c1 ZINC000012730381 257268296 /nfs/dbraw/zinc/26/82/96/257268296.db2.gz QZURTYXGWKGPIO-MRXNPFEDSA-N 1 1 310.422 4.740 50 0 DJAAMO C[N@@H+](Cc1ccccc1)Cc1cncc(-c2ccc(F)cc2F)c1 ZINC000034675582 563311410 /nfs/dbraw/zinc/31/14/10/563311410.db2.gz XYPKKUZGJLNQEM-UHFFFAOYSA-N 1 1 324.374 4.659 50 0 DJAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCC(C)C)C2)cc1 ZINC000012055386 563360967 /nfs/dbraw/zinc/36/09/67/563360967.db2.gz WJEDWCAIPBQFDP-SFHVURJKSA-N 1 1 311.473 4.611 50 0 DJAAMO Cc1oc(-c2ccoc2)nc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000012386291 563368443 /nfs/dbraw/zinc/36/84/43/563368443.db2.gz PNGNJLSQFLUYTC-KRWDZBQOSA-N 1 1 322.408 4.623 50 0 DJAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000012762015 563373516 /nfs/dbraw/zinc/37/35/16/563373516.db2.gz JUHXCZPJMWNEDQ-NSHDSACASA-N 1 1 318.467 4.966 50 0 DJAAMO Cc1oc(-c2ccsc2)nc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000012762015 563373517 /nfs/dbraw/zinc/37/35/17/563373517.db2.gz JUHXCZPJMWNEDQ-NSHDSACASA-N 1 1 318.467 4.966 50 0 DJAAMO CCC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018623 563443928 /nfs/dbraw/zinc/44/39/28/563443928.db2.gz ZTFAXFDSRFLDDH-UHFFFAOYSA-N 1 1 321.420 4.514 50 0 DJAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cccs2)ccc1O ZINC000033087322 563444204 /nfs/dbraw/zinc/44/42/04/563444204.db2.gz DPBWVAUYVIKIDR-OAHLLOKOSA-N 1 1 317.454 4.580 50 0 DJAAMO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccoc2)[C@H]3CCC1 ZINC000005032506 563450347 /nfs/dbraw/zinc/45/03/47/563450347.db2.gz HWJIADRASWYXTF-FQEVSTJZSA-N 1 1 320.436 4.826 50 0 DJAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccoc2)[C@H]3CCC1 ZINC000005032506 563450348 /nfs/dbraw/zinc/45/03/48/563450348.db2.gz HWJIADRASWYXTF-FQEVSTJZSA-N 1 1 320.436 4.826 50 0 DJAAMO Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)[nH+]1 ZINC000000073460 563522406 /nfs/dbraw/zinc/52/24/06/563522406.db2.gz LUXQVTQTDWHZFI-UHFFFAOYSA-N 1 1 324.815 4.794 50 0 DJAAMO Cc1cc(Nc2cccc(Cl)c2)nc(NCc2ccccc2)[nH+]1 ZINC000000073464 563522449 /nfs/dbraw/zinc/52/24/49/563522449.db2.gz RBCZUNWZGJFAEC-UHFFFAOYSA-N 1 1 324.815 4.794 50 0 DJAAMO C[C@H](c1ccc(-c2cccc3c(N)ccnc32)cc1)[NH+]1CCCC1 ZINC000096138482 563534261 /nfs/dbraw/zinc/53/42/61/563534261.db2.gz QKUHQUCSSHHIRP-OAHLLOKOSA-N 1 1 317.436 4.641 50 0 DJAAMO COc1ccc(/C=C/C2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000001226979 563633589 /nfs/dbraw/zinc/63/35/89/563633589.db2.gz RGHSPMZTWRXXIM-BQYQJAHWSA-N 1 1 305.421 4.541 50 0 DJAAMO Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)[C@H](C)C(=O)[C@H]2C)cc1 ZINC000102045649 563657668 /nfs/dbraw/zinc/65/76/68/563657668.db2.gz ORKDRKWSOGIHNW-CPLUKWAASA-N 1 1 307.437 4.530 50 0 DJAAMO Cc1ccccc1[C@@H]1[NH2+][C@H](c2ccccc2C)[C@H](C)C(=O)[C@H]1C ZINC000101996837 563658377 /nfs/dbraw/zinc/65/83/77/563658377.db2.gz GZFSBHPTKSDFKX-CPLUKWAASA-N 1 1 307.437 4.530 50 0 DJAAMO CC(C)Oc1ccc([C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1 ZINC000013685574 563662601 /nfs/dbraw/zinc/66/26/01/563662601.db2.gz WILRNXBYRWJQRW-OAQYLSRUSA-N 1 1 321.420 4.946 50 0 DJAAMO c1csc(-c2cc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)no2)c1 ZINC000106858626 563682361 /nfs/dbraw/zinc/68/23/61/563682361.db2.gz ZCRCKCFAYICQFN-UKRRQHHQSA-N 1 1 302.443 4.558 50 0 DJAAMO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048288792 563694938 /nfs/dbraw/zinc/69/49/38/563694938.db2.gz NDPMJVDYYMMSHK-OAHLLOKOSA-N 1 1 307.846 4.747 50 0 DJAAMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048288792 563694941 /nfs/dbraw/zinc/69/49/41/563694941.db2.gz NDPMJVDYYMMSHK-OAHLLOKOSA-N 1 1 307.846 4.747 50 0 DJAAMO c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000048333473 563696369 /nfs/dbraw/zinc/69/63/69/563696369.db2.gz RRUCEMRMNHUFEA-HXUWFJFHSA-N 1 1 318.420 4.549 50 0 DJAAMO O=C(CCCCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000001836373 563796158 /nfs/dbraw/zinc/79/61/58/563796158.db2.gz GPDWSJFEXHOPHY-OAQYLSRUSA-N 1 1 321.464 4.919 50 0 DJAAMO C[N@@H+](CCCOc1cccc2ccccc21)Cc1ccccc1 ZINC000002823093 563913123 /nfs/dbraw/zinc/91/31/23/563913123.db2.gz VKXTUQXJIKNMPE-UHFFFAOYSA-N 1 1 305.421 4.741 50 0 DJAAMO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)c1cccc(O)c1 ZINC000194886676 563918502 /nfs/dbraw/zinc/91/85/02/563918502.db2.gz XYTLDHUBGWNOMR-NEPJUHHUSA-N 1 1 304.459 4.558 50 0 DJAAMO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1nc(C(C)(C)C)cs1 ZINC000194886700 563918622 /nfs/dbraw/zinc/91/86/22/563918622.db2.gz XYTLDHUBGWNOMR-VXGBXAGGSA-N 1 1 304.459 4.558 50 0 DJAAMO COc1ccccc1[C@@H](C)[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000154360775 563926728 /nfs/dbraw/zinc/92/67/28/563926728.db2.gz KENYGLRKZCNWJQ-KUHUBIRLSA-N 1 1 323.440 4.619 50 0 DJAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O ZINC000008700886 563949776 /nfs/dbraw/zinc/94/97/76/563949776.db2.gz LOKNTKRLDJOAIV-UHFFFAOYSA-N 1 1 306.837 4.524 50 0 DJAAMO CCCC[N@H+]1CC[C@@H](OC(c2ccccc2)c2ccccc2)C1 ZINC000033639066 568412914 /nfs/dbraw/zinc/41/29/14/568412914.db2.gz QFGBDMAJXGJVDT-HXUWFJFHSA-N 1 1 309.453 4.667 50 0 DJAAMO C[N@H+]1CCC[C@@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000003683831 568417298 /nfs/dbraw/zinc/41/72/98/568417298.db2.gz CBHCDHNUZWWAPP-OAHLLOKOSA-N 1 1 310.466 4.631 50 0 biogenic,in-man DJAAMO Cc1csc([C@H](C)Nc2cc[nH+]c3ccc(Cl)cc23)n1 ZINC000097002045 185396326 /nfs/dbraw/zinc/39/63/26/185396326.db2.gz JMBPDEXOXGIACG-JTQLQIEISA-N 1 1 303.818 4.826 50 0 DJAAMO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cn1 ZINC000095422097 185360649 /nfs/dbraw/zinc/36/06/49/185360649.db2.gz AMZFBLPMXUHSID-STQMWFEESA-N 1 1 320.506 4.630 50 0 DJAAMO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)on1 ZINC000064984471 190706652 /nfs/dbraw/zinc/70/66/52/190706652.db2.gz UUTUAQZLWAPTHI-INIZCTEOSA-N 1 1 304.821 4.789 50 0 DJAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2)on1 ZINC000064984471 190706654 /nfs/dbraw/zinc/70/66/54/190706654.db2.gz UUTUAQZLWAPTHI-INIZCTEOSA-N 1 1 304.821 4.789 50 0 DJAAMO C[N@H+]1CCC[C@H]1c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000002019258 180906050 /nfs/dbraw/zinc/90/60/50/180906050.db2.gz SLFSSUKLMIHWLW-FQEVSTJZSA-N 1 1 306.409 4.514 50 0 DJAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@@H]3C)c2cc1C(C)C ZINC000003348968 181009821 /nfs/dbraw/zinc/00/98/21/181009821.db2.gz QNCWBBRDUXIFFV-HNNXBMFYSA-N 1 1 313.441 4.599 50 0 DJAAMO Nc1c(-c2ccc(Cl)cc2Cl)[nH+]c2ccc(Cl)cn12 ZINC000075353323 191465562 /nfs/dbraw/zinc/46/55/62/191465562.db2.gz HFMAPKGIUGOTAU-UHFFFAOYSA-N 1 1 312.587 4.544 50 0 DJAAMO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccco2)[C@H]3CCC1 ZINC000005032409 181193879 /nfs/dbraw/zinc/19/38/79/181193879.db2.gz DAEBDOAUCQDIRW-FQEVSTJZSA-N 1 1 320.436 4.826 50 0 DJAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccco2)[C@H]3CCC1 ZINC000005032409 181193882 /nfs/dbraw/zinc/19/38/82/181193882.db2.gz DAEBDOAUCQDIRW-FQEVSTJZSA-N 1 1 320.436 4.826 50 0 DJAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837243 182020109 /nfs/dbraw/zinc/02/01/09/182020109.db2.gz HQMKBCFYCQGEKO-HXUWFJFHSA-N 1 1 313.416 4.950 50 0 DJAAMO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000015836656 182020201 /nfs/dbraw/zinc/02/02/01/182020201.db2.gz UGYADXGHWGJKIG-QGZVFWFLSA-N 1 1 307.771 4.955 50 0 DJAAMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000015836656 182020204 /nfs/dbraw/zinc/02/02/04/182020204.db2.gz 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/nfs/dbraw/zinc/30/21/83/184302183.db2.gz BYLSGYPGRQZMOL-QGZVFWFLSA-N 1 1 314.429 4.534 50 0 DJAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064667113 184302184 /nfs/dbraw/zinc/30/21/84/184302184.db2.gz BYLSGYPGRQZMOL-QGZVFWFLSA-N 1 1 314.429 4.534 50 0 DJAAMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000003680968 257267539 /nfs/dbraw/zinc/26/75/39/257267539.db2.gz RZUKLYYDURBWJF-QGZVFWFLSA-N 1 1 319.448 4.911 50 0 DJAAMO C[N@@H+](CCCCOc1ccc(Cl)cc1)Cc1ccccc1 ZINC000003003364 563320584 /nfs/dbraw/zinc/32/05/84/563320584.db2.gz HFZMDKXLWIGDPG-UHFFFAOYSA-N 1 1 303.833 4.631 50 0 DJAAMO CC[NH+](CC)c1ccc(-n2c(C)c3c(c2C)c(C)nnc3C)cc1 ZINC000000225256 563231725 /nfs/dbraw/zinc/23/17/25/563231725.db2.gz HLYXXMKQTUJJAM-UHFFFAOYSA-N 1 1 322.456 4.500 50 0 DJAAMO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc3cccnc32)cc1 ZINC000025938103 563424397 /nfs/dbraw/zinc/42/43/97/563424397.db2.gz ARSJFZADYFPQAQ-IBGZPJMESA-N 1 1 324.374 4.850 50 0 DJAAMO Fc1ccc([C@H]2CCC[N@H+]2Cc2cc(-c3ccccc3)no2)cc1 ZINC000028280957 563430707 /nfs/dbraw/zinc/43/07/07/563430707.db2.gz UUNPNWDUQLEHRB-HXUWFJFHSA-N 1 1 322.383 4.818 50 0 DJAAMO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1csc(C(C)=O)c1 ZINC000055271254 563473933 /nfs/dbraw/zinc/47/39/33/563473933.db2.gz LRQJFRBSUAIIGL-GFCCVEGCSA-N 1 1 307.484 4.813 50 0 DJAAMO CC[C@@H](C)[N@@H+](Cc1ccsc1)Cc1csc(C(C)=O)c1 ZINC000055271254 563473937 /nfs/dbraw/zinc/47/39/37/563473937.db2.gz LRQJFRBSUAIIGL-GFCCVEGCSA-N 1 1 307.484 4.813 50 0 DJAAMO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)on1 ZINC000064984514 563486850 /nfs/dbraw/zinc/48/68/50/563486850.db2.gz FVURQUXGCZXLES-MRXNPFEDSA-N 1 1 304.821 4.789 50 0 DJAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)on1 ZINC000064984514 563486853 /nfs/dbraw/zinc/48/68/53/563486853.db2.gz FVURQUXGCZXLES-MRXNPFEDSA-N 1 1 304.821 4.789 50 0 DJAAMO Cc1cnc(C[NH2+]C2(c3ccc(C(C)(C)C)cc3)CCCC2)o1 ZINC000097230798 563513994 /nfs/dbraw/zinc/51/39/94/563513994.db2.gz FISSPTQCWNDKIU-UHFFFAOYSA-N 1 1 312.457 4.840 50 0 DJAAMO C[C@H]1CCCC[N@H+]1Cc1cncc(-c2ccc(Cl)cc2)c1 ZINC000037553890 563597207 /nfs/dbraw/zinc/59/72/07/563597207.db2.gz OMGNATHLMZGOQC-AWEZNQCLSA-N 1 1 300.833 4.776 50 0 DJAAMO c1csc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccccc3)n2)c1 ZINC000048262096 563694202 /nfs/dbraw/zinc/69/42/02/563694202.db2.gz JAUIIRQVGWYJLQ-INIZCTEOSA-N 1 1 310.422 4.740 50 0 DJAAMO c1csc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)c1 ZINC000048262096 563694206 /nfs/dbraw/zinc/69/42/06/563694206.db2.gz JAUIIRQVGWYJLQ-INIZCTEOSA-N 1 1 310.422 4.740 50 0 DJAAMO c1csc(-c2nc(C[N@H+]3CCC[C@@H]3C3CCCCC3)co2)c1 ZINC000048324834 563696583 /nfs/dbraw/zinc/69/65/83/563696583.db2.gz GIULYZIRLQKQDX-MRXNPFEDSA-N 1 1 316.470 4.948 50 0 DJAAMO c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c1-c1ccccc1 ZINC000216009395 563707594 /nfs/dbraw/zinc/70/75/94/563707594.db2.gz AEDTYTAUJPFSKJ-IEBWSBKVSA-N 1 1 321.468 4.612 50 0 DJAAMO CCC1CCC(N2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000239296772 563879735 /nfs/dbraw/zinc/87/97/35/563879735.db2.gz DGZHQCBZSBQFIX-BOWFFMLLSA-N 1 1 318.549 4.684 50 0 DJAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2)c1 ZINC000036347930 563895330 /nfs/dbraw/zinc/89/53/30/563895330.db2.gz DTIYUDNKPQMFIK-JOCHJYFZSA-N 1 1 316.448 4.792 50 0 DJAAMO CC[N@H+]1CC[C@@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000004558924 563915929 /nfs/dbraw/zinc/91/59/29/563915929.db2.gz DREIJDPUZJLEMI-OAHLLOKOSA-N 1 1 310.466 4.631 50 0 DJAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2CCC(C)C)cc1 ZINC000037522952 563918306 /nfs/dbraw/zinc/91/83/06/563918306.db2.gz DDDWGGYUPICZFN-NRFANRHFSA-N 1 1 310.485 4.892 50 0 DJAAMO CC(C)(C)C1=C[C@H](c2ccccc2)[C@@H]2CCCC[C@@]23OCC[N@@H+]13 ZINC000002227632 563920239 /nfs/dbraw/zinc/92/02/39/563920239.db2.gz PKMKJGOXZVPWQD-LVCYWYKZSA-N 1 1 311.469 4.933 50 0 DJAAMO O[C@@H]1c2ccccc2C[N@@H+]2CCCC[C@@H]2CC[C@@H]1c1ccccc1 ZINC000019925296 563923721 /nfs/dbraw/zinc/92/37/21/563923721.db2.gz XDZWVHJTGJTFQF-CEMLEFRQSA-N 1 1 321.464 4.652 50 0 DJAAMO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1occc1Br ZINC000095967199 563932880 /nfs/dbraw/zinc/93/28/80/563932880.db2.gz NARUBECAUNHION-XHDPSFHLSA-N 1 1 320.230 4.844 50 0 DJAAMO Cc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000008323833 563947788 /nfs/dbraw/zinc/94/77/88/563947788.db2.gz JZPSUMZEXKBGNE-MRXNPFEDSA-N 1 1 321.424 4.546 50 0 DJAAMO Cc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000008323833 563947789 /nfs/dbraw/zinc/94/77/89/563947789.db2.gz JZPSUMZEXKBGNE-MRXNPFEDSA-N 1 1 321.424 4.546 50 0 DJAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c(C)cc(C)cc2c1=O ZINC000009992734 563958118 /nfs/dbraw/zinc/95/81/18/563958118.db2.gz QGBPWXGFIAEBTJ-MRXNPFEDSA-N 1 1 312.457 4.630 50 0 DJAAMO c1csc(-c2nc(C[NH2+][C@@H]3CCCc4sccc43)co2)c1 ZINC000095420927 185360397 /nfs/dbraw/zinc/36/03/97/185360397.db2.gz GZWIBDWOBPJRCK-CYBMUJFWSA-N 1 1 316.451 4.632 50 0 DJAAMO c1ccc(SCCC[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000006719358 181376764 /nfs/dbraw/zinc/37/67/64/181376764.db2.gz OKQKJELGHSNSRH-IBGZPJMESA-N 1 1 312.482 4.791 50 0 biogenic DJAAMO Oc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCCC2)cc1 ZINC000015414457 182001265 /nfs/dbraw/zinc/00/12/65/182001265.db2.gz IWIUHGRSYPOBIP-UHFFFAOYSA-N 1 1 321.424 4.842 50 0 DJAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837436 182020313 /nfs/dbraw/zinc/02/03/13/182020313.db2.gz LSKZYGVCDTZEQI-HXUWFJFHSA-N 1 1 313.416 4.950 50 0 DJAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000015866883 182023037 /nfs/dbraw/zinc/02/30/37/182023037.db2.gz UZTLBZCIFVWDBP-HNNXBMFYSA-N 1 1 324.346 4.647 50 0 DJAAMO C[C@@H](c1ccccc1)n1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000021783128 182288387 /nfs/dbraw/zinc/28/83/87/182288387.db2.gz KLGLQUDDEUVFIY-KRWDZBQOSA-N 1 1 319.452 4.632 50 0 DJAAMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CCCc2ccccc21 ZINC000022515762 182324489 /nfs/dbraw/zinc/32/44/89/182324489.db2.gz ICMLILRWQPMURU-FQEVSTJZSA-N 1 1 302.421 4.744 50 0 DJAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000058160037 184081936 /nfs/dbraw/zinc/08/19/36/184081936.db2.gz AOYWLCSJUWFFFE-INIZCTEOSA-N 1 1 324.449 4.558 50 0 DJAAMO CC(C)[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000058425976 184116447 /nfs/dbraw/zinc/11/64/47/184116447.db2.gz OGSLXICCULIJEA-UHFFFAOYSA-N 1 1 319.836 4.543 50 0 DJAAMO Cc1cccc(C)c1NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000065426741 184342457 /nfs/dbraw/zinc/34/24/57/184342457.db2.gz YLSUUCBYRWCNCL-KRWDZBQOSA-N 1 1 322.452 4.540 50 0 DJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000012456493 563369655 /nfs/dbraw/zinc/36/96/55/563369655.db2.gz SWISKZFSWMEBGY-NSHDSACASA-N 1 1 318.467 4.966 50 0 DJAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000012456493 563369656 /nfs/dbraw/zinc/36/96/56/563369656.db2.gz SWISKZFSWMEBGY-NSHDSACASA-N 1 1 318.467 4.966 50 0 DJAAMO c1oc(-c2ccccc2)nc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000014165514 563397001 /nfs/dbraw/zinc/39/70/01/563397001.db2.gz NYNVSOXVGABSMD-UHFFFAOYSA-N 1 1 316.404 4.631 50 0 DJAAMO c1oc(-c2ccccc2)nc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000014165514 563397003 /nfs/dbraw/zinc/39/70/03/563397003.db2.gz NYNVSOXVGABSMD-UHFFFAOYSA-N 1 1 316.404 4.631 50 0 DJAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000014948132 563404507 /nfs/dbraw/zinc/40/45/07/563404507.db2.gz PWDPVZYVAJIEIT-GFCCVEGCSA-N 1 1 304.821 4.535 50 0 DJAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015071622 563406836 /nfs/dbraw/zinc/40/68/36/563406836.db2.gz FOPYYUHENQDELF-OAHLLOKOSA-N 1 1 317.498 4.636 50 0 DJAAMO Fc1ccc([C@H]2CCC[N@H+]2Cc2cccc3cccnc32)cc1 ZINC000025445935 563422567 /nfs/dbraw/zinc/42/25/67/563422567.db2.gz JEHNRMRTBJDQCK-LJQANCHMSA-N 1 1 306.384 4.711 50 0 DJAAMO c1ccc2c(c1)[nH]c1c2CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000003684397 563449820 /nfs/dbraw/zinc/44/98/20/563449820.db2.gz QFMHTYVMXTUMOZ-UHFFFAOYSA-N 1 1 312.416 4.879 50 0 DJAAMO c1ccc2c(c1)[nH]c1c2CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000003684397 563449823 /nfs/dbraw/zinc/44/98/23/563449823.db2.gz QFMHTYVMXTUMOZ-UHFFFAOYSA-N 1 1 312.416 4.879 50 0 DJAAMO CCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000055450199 563475414 /nfs/dbraw/zinc/47/54/14/563475414.db2.gz XZBGVWXVDNDYBH-SVFBPWRDSA-N 1 1 307.437 4.790 50 0 DJAAMO CCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000055450199 563475415 /nfs/dbraw/zinc/47/54/15/563475415.db2.gz XZBGVWXVDNDYBH-SVFBPWRDSA-N 1 1 307.437 4.790 50 0 DJAAMO Cc1oc(-c2ccco2)nc1C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000067712553 563489605 /nfs/dbraw/zinc/48/96/05/563489605.db2.gz JLNIMKNTEODDGL-AUUYWEPGSA-N 1 1 314.429 4.644 50 0 DJAAMO C[N@@H+](CCC1CCOCC1)CC(c1ccccc1)c1ccccc1 ZINC000097742753 563541804 /nfs/dbraw/zinc/54/18/04/563541804.db2.gz LCCDAVJVUBQTEZ-UHFFFAOYSA-N 1 1 323.480 4.567 50 0 DJAAMO C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)[C@@H]2CCCC[C@H]12 ZINC000247856819 563572884 /nfs/dbraw/zinc/57/28/84/563572884.db2.gz XWEBGPXGDINQEI-KBAYOESNSA-N 1 1 310.441 4.742 50 0 DJAAMO CC(C)(C)c1cc(C[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)no1 ZINC000252488744 563610340 /nfs/dbraw/zinc/61/03/40/563610340.db2.gz IXUMWGKUIKJOSC-KRWDZBQOSA-N 1 1 318.436 4.988 50 0 DJAAMO CC[C@@H](c1ccccn1)[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215538925 563706472 /nfs/dbraw/zinc/70/64/72/563706472.db2.gz MRFPTOCWVRHKQV-IBGZPJMESA-N 1 1 324.472 4.502 50 0 DJAAMO CC[C@@H](c1ccccn1)[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000215538925 563706475 /nfs/dbraw/zinc/70/64/75/563706475.db2.gz MRFPTOCWVRHKQV-IBGZPJMESA-N 1 1 324.472 4.502 50 0 DJAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2oc3ccc(C)cc3c2C)on1 ZINC000216143172 563708044 /nfs/dbraw/zinc/70/80/44/563708044.db2.gz AIFIKUZSPZWRIB-INIZCTEOSA-N 1 1 310.397 4.683 50 0 DJAAMO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc2cc(Cl)ccc2n1 ZINC000223915247 563737921 /nfs/dbraw/zinc/73/79/21/563737921.db2.gz FYKIGFGCOQVIEW-LBPRGKRZSA-N 1 1 300.789 4.674 50 0 DJAAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc2cc(Cl)ccc2n1 ZINC000223915247 563737923 /nfs/dbraw/zinc/73/79/23/563737923.db2.gz FYKIGFGCOQVIEW-LBPRGKRZSA-N 1 1 300.789 4.674 50 0 DJAAMO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000075093155 563859343 /nfs/dbraw/zinc/85/93/43/563859343.db2.gz RKKUPKDWKVHFGQ-LLVKDONJSA-N 1 1 317.845 4.642 50 0 DJAAMO CCC1CCC(N2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)CC1 ZINC000239296774 563879663 /nfs/dbraw/zinc/87/96/63/563879663.db2.gz DGZHQCBZSBQFIX-NLDTVIPQSA-N 1 1 318.549 4.684 50 0 DJAAMO C[C@@H]1CC[C@H](C)[N@@H+]1CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029555784 563941331 /nfs/dbraw/zinc/94/13/31/563941331.db2.gz VRBRWUXOCQWYLA-KDURUIRLSA-N 1 1 323.480 4.576 50 0 DJAAMO CC[C@H]1C(=O)[C@@H](CC)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000096902007 185390529 /nfs/dbraw/zinc/39/05/29/185390529.db2.gz UWLZKFVZABBKHL-JVSBHGNQSA-N 1 1 307.437 4.694 50 0 DJAAMO Cc1cnc([C@@H]([NH2+][C@@H](C)c2ccc3ccccc3n2)C2CC2)s1 ZINC000095423350 185361332 /nfs/dbraw/zinc/36/13/32/185361332.db2.gz SKIIBWGHWYLFPX-UGSOOPFHSA-N 1 1 323.465 4.802 50 0 DJAAMO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)cc1F ZINC000097016769 185397538 /nfs/dbraw/zinc/39/75/38/185397538.db2.gz FHHNUGDBDYYKOR-MNOVXSKESA-N 1 1 310.463 4.724 50 0 DJAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000095468625 185372518 /nfs/dbraw/zinc/37/25/18/185372518.db2.gz NCUKLVPGSRYDFG-CQSZACIVSA-N 1 1 310.372 4.674 50 0 DJAAMO CC1=CC[C@H](C[NH+](CCCN(C)C)C[C@H]2CC=C(C)CC2)CC1 ZINC000004023174 181063673 /nfs/dbraw/zinc/06/36/73/181063673.db2.gz FPDWDQUBDAOXGY-SFTDATJTSA-N 1 1 318.549 4.733 50 0 biogenic DJAAMO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@H]1c1c[nH]c2ccccc12 ZINC000004089688 181072197 /nfs/dbraw/zinc/07/21/97/181072197.db2.gz DYSVOABAIBRTPV-OAQYLSRUSA-N 1 1 315.420 4.617 50 0 biogenic DJAAMO CC[N@H+]1CCc2c3ccccc3[nH]c2[C@H]1c1c[nH]c2ccccc12 ZINC000004089688 181072198 /nfs/dbraw/zinc/07/21/98/181072198.db2.gz DYSVOABAIBRTPV-OAQYLSRUSA-N 1 1 315.420 4.617 50 0 biogenic DJAAMO Cc1c(Cl)cccc1-c1ccc(C[NH2+]Cc2ccccn2)o1 ZINC000004942926 181177082 /nfs/dbraw/zinc/17/70/82/181177082.db2.gz IEHDYYKKPCYDFF-UHFFFAOYSA-N 1 1 312.800 4.593 50 0 DJAAMO COc1ccccc1/C=C/c1[nH+]c2ccccn2c1NC(C)(C)C ZINC000006293980 181327033 /nfs/dbraw/zinc/32/70/33/181327033.db2.gz BKKUMZMZKHZEOF-OUKQBFOZSA-N 1 1 321.424 4.724 50 0 DJAAMO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1cccs1)c1ncc[nH]1)CCC2 ZINC000195085872 201337183 /nfs/dbraw/zinc/33/71/83/201337183.db2.gz ZVWGVDGKQGAUAR-FUHWJXTLSA-N 1 1 323.465 4.536 50 0 DJAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000015836749 182020611 /nfs/dbraw/zinc/02/06/11/182020611.db2.gz IWHUTNKXMYPVPB-SFHVURJKSA-N 1 1 301.817 4.686 50 0 DJAAMO CC(C)COc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000019737613 182141174 /nfs/dbraw/zinc/14/11/74/182141174.db2.gz KKFDRHVIAYTXOU-UHFFFAOYSA-N 1 1 303.833 4.665 50 0 DJAAMO Cc1oc(-c2ccco2)nc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000020785731 182247335 /nfs/dbraw/zinc/24/73/35/182247335.db2.gz LCRJKRFTMQMGBS-QGZVFWFLSA-N 1 1 322.408 4.623 50 0 DJAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cn(C(C)C)c3ccccc23)no1 ZINC000021719817 182286451 /nfs/dbraw/zinc/28/64/51/182286451.db2.gz JPVRRRQLRVVVEA-FQEVSTJZSA-N 1 1 323.440 4.856 50 0 DJAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cn(C(C)C)c3ccccc23)no1 ZINC000021719817 182286453 /nfs/dbraw/zinc/28/64/53/182286453.db2.gz JPVRRRQLRVVVEA-FQEVSTJZSA-N 1 1 323.440 4.856 50 0 DJAAMO c1csc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)co2)c1 ZINC000024821968 182392494 /nfs/dbraw/zinc/39/24/94/182392494.db2.gz CCEUSJVZXTWIRJ-CYBMUJFWSA-N 1 1 316.451 4.802 50 0 DJAAMO c1csc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccs3)co2)c1 ZINC000024821968 182392495 /nfs/dbraw/zinc/39/24/95/182392495.db2.gz CCEUSJVZXTWIRJ-CYBMUJFWSA-N 1 1 316.451 4.802 50 0 DJAAMO O=C(CCCC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000001778372 563295763 /nfs/dbraw/zinc/29/57/63/563295763.db2.gz PKNQADVTXRUPKA-FQEVSTJZSA-N 1 1 307.437 4.529 50 0 DJAAMO CC[C@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714132 563349369 /nfs/dbraw/zinc/34/93/69/563349369.db2.gz PFLBNSGVSVVVBK-INIZCTEOSA-N 1 1 312.457 4.630 50 0 DJAAMO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012056144 563361063 /nfs/dbraw/zinc/36/10/63/563361063.db2.gz FIMXXZJMCVZWCC-OAHLLOKOSA-N 1 1 305.849 4.567 50 0 DJAAMO CCC(C)(C)c1ccc(C[C@H](C)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013512584 563382582 /nfs/dbraw/zinc/38/25/82/563382582.db2.gz MQHLMHIZUIDKOO-OKZBNKHCSA-N 1 1 317.517 4.662 50 0 world DJAAMO CC(C)(C)C1=C[C@H](c2ccccc2)[C@H]2CCCC[C@@]23OCC[N@@H+]13 ZINC000013511887 563382741 /nfs/dbraw/zinc/38/27/41/563382741.db2.gz PKMKJGOXZVPWQD-DBXWQHBBSA-N 1 1 311.469 4.933 50 0 DJAAMO Cc1ccsc1C[N@H+](C/C=C/c1ccco1)Cc1ccccn1 ZINC000055344715 563474248 /nfs/dbraw/zinc/47/42/48/563474248.db2.gz ZEXOFKZDSQHYEI-QPJJXVBHSA-N 1 1 324.449 4.760 50 0 DJAAMO Cc1ccsc1C[N@@H+](C/C=C/c1ccco1)Cc1ccccn1 ZINC000055344715 563474250 /nfs/dbraw/zinc/47/42/50/563474250.db2.gz ZEXOFKZDSQHYEI-QPJJXVBHSA-N 1 1 324.449 4.760 50 0 DJAAMO CCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000055450192 563475606 /nfs/dbraw/zinc/47/56/06/563475606.db2.gz XZBGVWXVDNDYBH-DYXWJJEUSA-N 1 1 307.437 4.790 50 0 DJAAMO CCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000055450192 563475610 /nfs/dbraw/zinc/47/56/10/563475610.db2.gz XZBGVWXVDNDYBH-DYXWJJEUSA-N 1 1 307.437 4.790 50 0 DJAAMO CSc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984468 563486983 /nfs/dbraw/zinc/48/69/83/563486983.db2.gz IOQKFYZZMNQUBQ-KRWDZBQOSA-N 1 1 316.470 4.857 50 0 DJAAMO CSc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984468 563486985 /nfs/dbraw/zinc/48/69/85/563486985.db2.gz IOQKFYZZMNQUBQ-KRWDZBQOSA-N 1 1 316.470 4.857 50 0 DJAAMO CC(=O)c1cc(C[N@@H+](Cc2ccco2)[C@H](C)C(C)C)cs1 ZINC000067934606 563494281 /nfs/dbraw/zinc/49/42/81/563494281.db2.gz KDLLPYBXVVECHQ-CYBMUJFWSA-N 1 1 305.443 4.590 50 0 DJAAMO CC(=O)c1cc(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)cs1 ZINC000067934606 563494282 /nfs/dbraw/zinc/49/42/82/563494282.db2.gz KDLLPYBXVVECHQ-CYBMUJFWSA-N 1 1 305.443 4.590 50 0 DJAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000037522425 563597264 /nfs/dbraw/zinc/59/72/64/563597264.db2.gz DVMHKBOPBPAKFH-IBGZPJMESA-N 1 1 316.876 4.983 50 0 DJAAMO c1cc([C@H]2CCC[N@H+]2Cc2coc(-c3ccccc3)n2)cs1 ZINC000048308770 563695855 /nfs/dbraw/zinc/69/58/55/563695855.db2.gz PGWTYFHNNXBYAD-QGZVFWFLSA-N 1 1 310.422 4.740 50 0 DJAAMO c1cc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)cs1 ZINC000048308770 563695857 /nfs/dbraw/zinc/69/58/57/563695857.db2.gz PGWTYFHNNXBYAD-QGZVFWFLSA-N 1 1 310.422 4.740 50 0 DJAAMO c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000048333472 563696489 /nfs/dbraw/zinc/69/64/89/563696489.db2.gz RRUCEMRMNHUFEA-FQEVSTJZSA-N 1 1 318.420 4.549 50 0 DJAAMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)c2ncccc12 ZINC000051853009 563724124 /nfs/dbraw/zinc/72/41/24/563724124.db2.gz OHXIEEBVWSJXIF-QGZVFWFLSA-N 1 1 312.413 4.773 50 0 DJAAMO C[C@H](c1ccco1)[N@H+](C)Cc1ccc2cc(Cl)ccc2n1 ZINC000223915284 563738006 /nfs/dbraw/zinc/73/80/06/563738006.db2.gz FYKIGFGCOQVIEW-GFCCVEGCSA-N 1 1 300.789 4.674 50 0 DJAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc2cc(Cl)ccc2n1 ZINC000223915284 563738007 /nfs/dbraw/zinc/73/80/07/563738007.db2.gz FYKIGFGCOQVIEW-GFCCVEGCSA-N 1 1 300.789 4.674 50 0 DJAAMO CSc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)s1 ZINC000225513310 563757315 /nfs/dbraw/zinc/75/73/15/563757315.db2.gz LKGOATRMOITIIG-MRXNPFEDSA-N 1 1 318.511 4.982 50 0 DJAAMO CCCOc1cccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000001833749 563882175 /nfs/dbraw/zinc/88/21/75/563882175.db2.gz NRRHFCIUBUJLNZ-HXUWFJFHSA-N 1 1 310.441 4.598 50 0 DJAAMO CC[C@H](C)[N@H+](Cc1cc(C)ccc1C)C[C@@H](O)c1ccccc1 ZINC000169677476 563894614 /nfs/dbraw/zinc/89/46/14/563894614.db2.gz AFYIHOFGMUCEOO-GHTZIAJQSA-N 1 1 311.469 4.638 50 0 DJAAMO Cc1nccn1CCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000089735670 563911008 /nfs/dbraw/zinc/91/10/08/563911008.db2.gz WVSKYXRVENMGQG-NRFANRHFSA-N 1 1 319.452 4.572 50 0 DJAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cnoc1-c1ccco1 ZINC000089904636 563912260 /nfs/dbraw/zinc/91/22/60/563912260.db2.gz IQYQPQKARUPPNH-ZDUSSCGKSA-N 1 1 322.364 4.874 50 0 DJAAMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(C)cccc1C)CCC2 ZINC000170634515 563912837 /nfs/dbraw/zinc/91/28/37/563912837.db2.gz SARXTYXHKPCZJP-QGZVFWFLSA-N 1 1 300.471 4.578 50 0 DJAAMO CC(C)(C)c1cc(C[NH2+][C@H](c2cccc(F)c2)C(C)(C)C)no1 ZINC000252488745 563915894 /nfs/dbraw/zinc/91/58/94/563915894.db2.gz IXUMWGKUIKJOSC-QGZVFWFLSA-N 1 1 318.436 4.988 50 0 DJAAMO c1nc(C[N@H+]2CC=C(c3ccccc3)CC2)oc1-c1ccccc1 ZINC000007650959 563917783 /nfs/dbraw/zinc/91/77/83/563917783.db2.gz HUJPQUJMAWMBPE-UHFFFAOYSA-N 1 1 316.404 4.631 50 0 DJAAMO c1nc(C[N@@H+]2CC=C(c3ccccc3)CC2)oc1-c1ccccc1 ZINC000007650959 563917784 /nfs/dbraw/zinc/91/77/84/563917784.db2.gz HUJPQUJMAWMBPE-UHFFFAOYSA-N 1 1 316.404 4.631 50 0 DJAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2CCC(C)C)cc1 ZINC000037522951 563918359 /nfs/dbraw/zinc/91/83/59/563918359.db2.gz DDDWGGYUPICZFN-OAQYLSRUSA-N 1 1 310.485 4.892 50 0 DJAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000037522426 563918375 /nfs/dbraw/zinc/91/83/75/563918375.db2.gz DVMHKBOPBPAKFH-LJQANCHMSA-N 1 1 316.876 4.983 50 0 DJAAMO Cc1cc2cc(CNc3ccc4c(c3)C[N@@H+](C)C4)oc2cc1C ZINC000095971921 563933476 /nfs/dbraw/zinc/93/34/76/563933476.db2.gz ZRZJFAFCNUURTR-UHFFFAOYSA-N 1 1 306.409 4.607 50 0 DJAAMO Cc1cccc(N(CC(=O)c2ccccc2)C2=[NH+]CCCCC2)c1 ZINC000008414602 563948636 /nfs/dbraw/zinc/94/86/36/563948636.db2.gz HOWUINUEXIXPHZ-UHFFFAOYSA-N 1 1 320.436 4.657 50 0 DJAAMO CC[C@H]1CCCC[N@H+]1Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717415 563950302 /nfs/dbraw/zinc/95/03/02/563950302.db2.gz FAYVLRDNLSDICJ-INIZCTEOSA-N 1 1 312.457 4.630 50 0 DJAAMO CC[N@H+]1[C@@H](c2ccccc2)[C@@H](C)C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000095481284 185373833 /nfs/dbraw/zinc/37/38/33/185373833.db2.gz SFCJAXKHIYXCGG-NFQUHZNNSA-N 1 1 307.437 4.646 50 0 DJAAMO C[C@@H]([NH2+][C@H](C)c1ccccc1Oc1ccccc1)c1cnccn1 ZINC000095421569 185360436 /nfs/dbraw/zinc/36/04/36/185360436.db2.gz PZOJFRRUKHULCW-HZPDHXFCSA-N 1 1 319.408 4.681 50 0 DJAAMO Cc1cnc([C@H]([NH2+][C@H](C)c2ccc3ccccc3n2)C2CC2)s1 ZINC000095423351 185361187 /nfs/dbraw/zinc/36/11/87/185361187.db2.gz SKIIBWGHWYLFPX-FZKQIMNGSA-N 1 1 323.465 4.802 50 0 DJAAMO c1cc2cccc(C[N@H+]3CCCCC[C@@H]3c3ccncc3)c2[nH]1 ZINC000097032511 185399559 /nfs/dbraw/zinc/39/95/59/185399559.db2.gz KOJKNGFYCGZKFR-LJQANCHMSA-N 1 1 305.425 4.680 50 0 DJAAMO CCSC1=[NH+]C(C)(C)C=C(C=Cc2ccc(Cl)cc2)N1 ZINC000004001980 181061260 /nfs/dbraw/zinc/06/12/60/181061260.db2.gz QAUQMECAJLEXFZ-JXMROGBWSA-N 1 1 306.862 4.728 50 0 DJAAMO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H]1c1c[nH]c2ccccc12 ZINC000004089687 181072242 /nfs/dbraw/zinc/07/22/42/181072242.db2.gz DYSVOABAIBRTPV-NRFANRHFSA-N 1 1 315.420 4.617 50 0 biogenic DJAAMO CC[N@H+]1CCc2c3ccccc3[nH]c2[C@@H]1c1c[nH]c2ccccc12 ZINC000004089687 181072243 /nfs/dbraw/zinc/07/22/43/181072243.db2.gz DYSVOABAIBRTPV-NRFANRHFSA-N 1 1 315.420 4.617 50 0 biogenic DJAAMO CCN(Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000004553808 181123550 /nfs/dbraw/zinc/12/35/50/181123550.db2.gz NXXMIBBWTUIWRO-GHTZIAJQSA-N 1 1 314.517 4.552 50 0 DJAAMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000080267470 192018736 /nfs/dbraw/zinc/01/87/36/192018736.db2.gz PIJWKFVFVXBWJZ-DTWKUNHWSA-N 1 1 301.242 4.862 50 0 DJAAMO CC(C)CC[C@@H](CC[NH2+]CCCN(C)C)c1ccc(Cl)cc1 ZINC000006662015 181367240 /nfs/dbraw/zinc/36/72/40/181367240.db2.gz LCOKOKUOQFDGNF-SFHVURJKSA-N 1 1 324.940 4.791 50 0 DJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000015837071 182020297 /nfs/dbraw/zinc/02/02/97/182020297.db2.gz BQBQAVUGVOFUKW-SFHVURJKSA-N 1 1 301.817 4.686 50 0 DJAAMO CC[C@@H](C)C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000019228944 182108786 /nfs/dbraw/zinc/10/87/86/182108786.db2.gz SWUDAORZJLYOIE-CRAIPNDOSA-N 1 1 311.473 4.611 50 0 DJAAMO Cc1ccc(C(C)C)c(OCC[N@H+]2CCc3ccccc3C2)c1 ZINC000020272465 182202340 /nfs/dbraw/zinc/20/23/40/182202340.db2.gz QYSUKZQLGIRKGW-UHFFFAOYSA-N 1 1 309.453 4.556 50 0 DJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000021720986 182286513 /nfs/dbraw/zinc/28/65/13/182286513.db2.gz AJPLNYVDTAHJJP-OAHLLOKOSA-N 1 1 304.821 4.536 50 0 DJAAMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000040153675 183040772 /nfs/dbraw/zinc/04/07/72/183040772.db2.gz XADQFKRBOCONMW-LJQANCHMSA-N 1 1 318.420 4.987 50 0 DJAAMO c1[nH]nc([C@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c1-c1ccccc1 ZINC000104403246 194005488 /nfs/dbraw/zinc/00/54/88/194005488.db2.gz AEDTYTAUJPFSKJ-MJGOQNOKSA-N 1 1 321.468 4.612 50 0 DJAAMO c1cc([C@H]2CCC[N@@H+]2CCCOCCc2ccccc2)cs1 ZINC000058356707 184108107 /nfs/dbraw/zinc/10/81/07/184108107.db2.gz GHQDUPVUXVQIIF-LJQANCHMSA-N 1 1 315.482 4.534 50 0 DJAAMO c1coc(-c2nc(C[NH2+]Cc3cccc4ccccc43)cs2)c1 ZINC000063775758 184288883 /nfs/dbraw/zinc/28/88/83/184288883.db2.gz POBCUGWHOQFXCT-UHFFFAOYSA-N 1 1 320.417 4.846 50 0 DJAAMO Cc1oc(-c2cccc(Cl)c2)nc1Cn1cc[nH+]c1C(C)C ZINC000067885994 184490030 /nfs/dbraw/zinc/49/00/30/184490030.db2.gz PKFBOFXBFUSXJS-UHFFFAOYSA-N 1 1 315.804 4.672 50 0 DJAAMO Clc1ccc([C@H]([NH2+]Cc2ccccn2)c2ccsc2)cc1 ZINC000067253655 257253808 /nfs/dbraw/zinc/25/38/08/257253808.db2.gz IUFIUAOLPBSESD-KRWDZBQOSA-N 1 1 314.841 4.676 50 0 DJAAMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1oc(C(C)C)nc1C ZINC000428950592 338066322 /nfs/dbraw/zinc/06/63/22/338066322.db2.gz FSHXEKKLJUUORW-QGZVFWFLSA-N 1 1 316.445 4.698 50 0 DJAAMO Cc1cccc([C@@H]2[NH2+][C@H](c3cccc(C)c3)[C@@H](C)C(=O)[C@@H]2C)c1 ZINC000001178294 563278539 /nfs/dbraw/zinc/27/85/39/563278539.db2.gz AHESAKCLGLIIOI-SMOSDQRPSA-N 1 1 307.437 4.530 50 0 DJAAMO Cc1cc(C)c2[nH]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008714104 563349386 /nfs/dbraw/zinc/34/93/86/563349386.db2.gz LNEHVIWLWDCKBW-UHFFFAOYSA-N 1 1 312.457 4.630 50 0 DJAAMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012056147 563360952 /nfs/dbraw/zinc/36/09/52/563360952.db2.gz FIMXXZJMCVZWCC-HNNXBMFYSA-N 1 1 305.849 4.567 50 0 DJAAMO Cc1oc(-c2ccoc2)nc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000012386290 563368200 /nfs/dbraw/zinc/36/82/00/563368200.db2.gz PNGNJLSQFLUYTC-QGZVFWFLSA-N 1 1 322.408 4.623 50 0 DJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCCC[C@@H]1C ZINC000012710831 563373260 /nfs/dbraw/zinc/37/32/60/563373260.db2.gz QKIMNFRQKCNNCJ-LBPRGKRZSA-N 1 1 304.821 4.678 50 0 DJAAMO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(Cl)cc1 ZINC000032668167 563375551 /nfs/dbraw/zinc/37/55/51/563375551.db2.gz AHNWJMBLRIMIEM-UHFFFAOYSA-N 1 1 302.830 4.582 50 0 DJAAMO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(Cl)cc1 ZINC000032668167 563375553 /nfs/dbraw/zinc/37/55/53/563375553.db2.gz AHNWJMBLRIMIEM-UHFFFAOYSA-N 1 1 302.830 4.582 50 0 DJAAMO C[C@H](COc1cccc2ccccc21)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013764305 563388523 /nfs/dbraw/zinc/38/85/23/563388523.db2.gz CNIUMNFDNVKUAK-KSZLIROESA-N 1 1 311.469 4.833 50 0 DJAAMO COc1cccc2cc(C[NH2+][C@@H](C)c3ccc(F)cc3F)oc21 ZINC000032740423 563388818 /nfs/dbraw/zinc/38/88/18/563388818.db2.gz SHPSJPSYEJLYTR-NSHDSACASA-N 1 1 317.335 4.570 50 0 DJAAMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000032777542 563391489 /nfs/dbraw/zinc/39/14/89/563391489.db2.gz XPGUKTCDIPJPCC-LBPRGKRZSA-N 1 1 300.789 4.674 50 0 DJAAMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000032777542 563391492 /nfs/dbraw/zinc/39/14/92/563391492.db2.gz XPGUKTCDIPJPCC-LBPRGKRZSA-N 1 1 300.789 4.674 50 0 DJAAMO Fc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc3cccnc32)cc1 ZINC000025938106 563424311 /nfs/dbraw/zinc/42/43/11/563424311.db2.gz ARSJFZADYFPQAQ-LJQANCHMSA-N 1 1 324.374 4.850 50 0 DJAAMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000026480339 563425916 /nfs/dbraw/zinc/42/59/16/563425916.db2.gz MFVQUZVRKSAENE-KRWDZBQOSA-N 1 1 324.468 4.577 50 0 DJAAMO C[N@@H+](Cc1coc(-c2cccs2)n1)[C@H]1CCCc2ccccc21 ZINC000027906157 563430261 /nfs/dbraw/zinc/43/02/61/563430261.db2.gz TWPAWADMIKFICK-KRWDZBQOSA-N 1 1 324.449 4.913 50 0 DJAAMO Fc1ccc([C@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)cc1 ZINC000029538074 563435320 /nfs/dbraw/zinc/43/53/20/563435320.db2.gz QEWZACBKTFJVIR-OAQYLSRUSA-N 1 1 321.395 4.552 50 0 DJAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cccs2)ccc1O ZINC000033087323 563444004 /nfs/dbraw/zinc/44/40/04/563444004.db2.gz DPBWVAUYVIKIDR-HNNXBMFYSA-N 1 1 317.454 4.580 50 0 DJAAMO COc1ccccc1C[N@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087309 563444075 /nfs/dbraw/zinc/44/40/75/563444075.db2.gz NTBJTMCAIJOTQL-INIZCTEOSA-N 1 1 301.455 4.874 50 0 DJAAMO CC(C)Oc1ccc([C@@H]([NH2+]Cc2ccco2)c2ccccc2)cc1 ZINC000013685568 563469051 /nfs/dbraw/zinc/46/90/51/563469051.db2.gz WILRNXBYRWJQRW-NRFANRHFSA-N 1 1 321.420 4.946 50 0 DJAAMO Cc1[nH]c2ccccc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccco1 ZINC000000090355 563528153 /nfs/dbraw/zinc/52/81/53/563528153.db2.gz WHGGMAVCKNYMNJ-FQEVSTJZSA-N 1 1 317.392 4.974 50 0 DJAAMO c1ccc([C@H]2C3=C(CCCC3)[N@@H+]3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000002095014 563913849 /nfs/dbraw/zinc/91/38/49/563913849.db2.gz BERGZMFIKZYZDE-HLAWJBBLSA-N 1 1 309.453 4.831 50 0 biogenic DJAAMO CCCC[N@H+]1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000037522429 563918301 /nfs/dbraw/zinc/91/83/01/563918301.db2.gz GAZIFEWQSPHNHA-SFHVURJKSA-N 1 1 302.849 4.737 50 0 DJAAMO Cc1cc2oc(=O)cc(C[N@H+](C)C3CCCCC3)c2cc1Cl ZINC000007786408 563919329 /nfs/dbraw/zinc/91/93/29/563919329.db2.gz PWJSIVNMWABHBO-UHFFFAOYSA-N 1 1 319.832 4.519 50 0 DJAAMO CC[C@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c(C)ccc(C)c2c1=O ZINC000008717982 563950197 /nfs/dbraw/zinc/95/01/97/563950197.db2.gz LJRLMQBCPRUXGI-INIZCTEOSA-N 1 1 312.457 4.630 50 0 DJAAMO c1cc2cccc(C[N@H+]3CCCCC[C@H]3c3ccncc3)c2[nH]1 ZINC000097032512 185399253 /nfs/dbraw/zinc/39/92/53/185399253.db2.gz KOJKNGFYCGZKFR-IBGZPJMESA-N 1 1 305.425 4.680 50 0 DJAAMO c1csc(-c2cnc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)o2)c1 ZINC000170626889 197794908 /nfs/dbraw/zinc/79/49/08/197794908.db2.gz YQFGMFQKFWQJNW-SFHVURJKSA-N 1 1 314.454 4.725 50 0 DJAAMO Cc1cc2[nH+]c(-c3ccc(F)cc3)c(NC(C)(C)C)n2c(C)c1 ZINC000000320298 180759178 /nfs/dbraw/zinc/75/91/78/180759178.db2.gz FLLSAHPCGRNTKV-UHFFFAOYSA-N 1 1 311.404 4.968 50 0 DJAAMO C[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000003417748 181016928 /nfs/dbraw/zinc/01/69/28/181016928.db2.gz XGMXBPVTZFGGRJ-UHFFFAOYSA-N 1 1 322.452 4.557 50 0 DJAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000003564800 181035408 /nfs/dbraw/zinc/03/54/08/181035408.db2.gz FGTSFLFLSXRGNF-INIZCTEOSA-N 1 1 316.489 4.604 50 0 DJAAMO CC(C)(C)C1=C[C@H](c2ccccc2)[C@H]2CCCC[C@]23OCC[N@@H+]13 ZINC000004769677 181149957 /nfs/dbraw/zinc/14/99/57/181149957.db2.gz PKMKJGOXZVPWQD-OPYAIIAOSA-N 1 1 311.469 4.933 50 0 DJAAMO CCC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000006311355 181328592 /nfs/dbraw/zinc/32/85/92/181328592.db2.gz WYTPYNYFQAORGV-XRXFAXGQSA-N 1 1 309.453 4.582 50 0 DJAAMO CC(C)c1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000020598489 182236559 /nfs/dbraw/zinc/23/65/59/182236559.db2.gz VVOZPRDRWVBYSI-SJLPKXTDSA-N 1 1 311.473 4.516 50 0 DJAAMO c1csc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccs3)co2)c1 ZINC000024821965 182392470 /nfs/dbraw/zinc/39/24/70/182392470.db2.gz CCEUSJVZXTWIRJ-ZDUSSCGKSA-N 1 1 316.451 4.802 50 0 DJAAMO c1csc(-c2nc(C[N@H+]3CCC[C@H]3c3cccs3)co2)c1 ZINC000024821965 182392473 /nfs/dbraw/zinc/39/24/73/182392473.db2.gz CCEUSJVZXTWIRJ-ZDUSSCGKSA-N 1 1 316.451 4.802 50 0 DJAAMO CC[C@H](C)C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000042995785 183326323 /nfs/dbraw/zinc/32/63/23/183326323.db2.gz SWUDAORZJLYOIE-YJBOKZPZSA-N 1 1 311.473 4.611 50 0 DJAAMO C[C@H](C(=O)c1c[nH]c2ccccc21)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000058160440 184081978 /nfs/dbraw/zinc/08/19/78/184081978.db2.gz JEFSJEFTKOZECG-CXAGYDPISA-N 1 1 324.449 4.638 50 0 DJAAMO Cc1ccccc1-c1ncc(C[N@@H+](C)[C@H](C)c2ccco2)s1 ZINC000065376411 184331388 /nfs/dbraw/zinc/33/13/88/184331388.db2.gz AXXGSEPBYHDMIP-CQSZACIVSA-N 1 1 312.438 4.905 50 0 DJAAMO Cc1ccccc1-c1ncc(C[N@H+](C)[C@H](C)c2ccco2)s1 ZINC000065376411 184331389 /nfs/dbraw/zinc/33/13/89/184331389.db2.gz AXXGSEPBYHDMIP-CQSZACIVSA-N 1 1 312.438 4.905 50 0 DJAAMO CSc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984469 518175335 /nfs/dbraw/zinc/17/53/35/518175335.db2.gz IOQKFYZZMNQUBQ-QGZVFWFLSA-N 1 1 316.470 4.857 50 0 DJAAMO CSc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984469 518175337 /nfs/dbraw/zinc/17/53/37/518175337.db2.gz IOQKFYZZMNQUBQ-QGZVFWFLSA-N 1 1 316.470 4.857 50 0 DJAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](C)C(C)C ZINC000014968937 563404835 /nfs/dbraw/zinc/40/48/35/563404835.db2.gz CPDIAHNFWUUYDI-UHFFFAOYSA-N 1 1 312.335 4.509 50 0 DJAAMO c1[nH+]c2cc(NCc3ccccn3)ccc2n1C1CCCCC1 ZINC000002354782 563303093 /nfs/dbraw/zinc/30/30/93/563303093.db2.gz CRCAGJFOXKTLGA-UHFFFAOYSA-N 1 1 306.413 4.549 50 0 DJAAMO CCc1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3CC)c(=O)c2c1 ZINC000008714070 563349189 /nfs/dbraw/zinc/34/91/89/563349189.db2.gz UTOOHWPQRGUXJH-MRXNPFEDSA-N 1 1 312.457 4.576 50 0 DJAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714131 563349403 /nfs/dbraw/zinc/34/94/03/563349403.db2.gz PFLBNSGVSVVVBK-MRXNPFEDSA-N 1 1 312.457 4.630 50 0 DJAAMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@@H]1CCCc2ccccc21 ZINC000029702582 563435341 /nfs/dbraw/zinc/43/53/41/563435341.db2.gz BXWOZYUCQOIIRN-HXUWFJFHSA-N 1 1 320.411 4.883 50 0 DJAAMO COc1ccccc1C[N@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087308 563443803 /nfs/dbraw/zinc/44/38/03/563443803.db2.gz NTBJTMCAIJOTQL-MRXNPFEDSA-N 1 1 301.455 4.874 50 0 DJAAMO CCC[N@H+](Cc1ccc(OCc2ccccc2)cc1)CC1CC1 ZINC000023282175 563450356 /nfs/dbraw/zinc/45/03/56/563450356.db2.gz SMDIJDXRUPFPIY-UHFFFAOYSA-N 1 1 309.453 4.888 50 0 DJAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000035511299 563453203 /nfs/dbraw/zinc/45/32/03/563453203.db2.gz ADEVYAZOQULSKU-GOSISDBHSA-N 1 1 314.429 4.534 50 0 DJAAMO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000124419139 563600654 /nfs/dbraw/zinc/60/06/54/563600654.db2.gz SKPJIYCOHZLFKU-CQSZACIVSA-N 1 1 311.404 4.607 50 0 DJAAMO c1csc(-c2cc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)no2)c1 ZINC000106858625 563682424 /nfs/dbraw/zinc/68/24/24/563682424.db2.gz ZCRCKCFAYICQFN-DZGCQCFKSA-N 1 1 302.443 4.558 50 0 DJAAMO CC[C@H](C)[N@H+](Cc1cc(C)ccc1C)C[C@H](O)c1ccccc1 ZINC000036031685 563892098 /nfs/dbraw/zinc/89/20/98/563892098.db2.gz AFYIHOFGMUCEOO-RXVVDRJESA-N 1 1 311.469 4.638 50 0 DJAAMO CC[C@H](C)[N@H+](Cc1ccc(C)cc1C)C[C@@H](O)c1ccccc1 ZINC000169678027 563895014 /nfs/dbraw/zinc/89/50/14/563895014.db2.gz JYMONHZDXRAYTG-GHTZIAJQSA-N 1 1 311.469 4.638 50 0 DJAAMO c1csc(-c2cnc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)o2)c1 ZINC000170626890 563908841 /nfs/dbraw/zinc/90/88/41/563908841.db2.gz YQFGMFQKFWQJNW-GOSISDBHSA-N 1 1 314.454 4.725 50 0 DJAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccoc2)cc1C ZINC000037522281 563918265 /nfs/dbraw/zinc/91/82/65/563918265.db2.gz IOZVMTFMUZWCMR-OAQYLSRUSA-N 1 1 320.436 4.693 50 0 DJAAMO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1occc1Br ZINC000095967197 563933008 /nfs/dbraw/zinc/93/30/08/563933008.db2.gz NARUBECAUNHION-NHYWBVRUSA-N 1 1 320.230 4.844 50 0 DJAAMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc3cc(F)ccc3o2)c1 ZINC000079092919 185157034 /nfs/dbraw/zinc/15/70/34/185157034.db2.gz VLKLMNJCJCIJLZ-KRWDZBQOSA-N 1 1 310.372 4.612 50 0 DJAAMO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C)cs2)cc1F ZINC000097016765 185397424 /nfs/dbraw/zinc/39/74/24/185397424.db2.gz FHHNUGDBDYYKOR-QWRGUYRKSA-N 1 1 310.463 4.724 50 0 DJAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000095468627 185372455 /nfs/dbraw/zinc/37/24/55/185372455.db2.gz ZIBBOYCVETUNMH-QGZVFWFLSA-N 1 1 302.421 4.942 50 0 DJAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000003564803 181035231 /nfs/dbraw/zinc/03/52/31/181035231.db2.gz FGTSFLFLSXRGNF-MRXNPFEDSA-N 1 1 316.489 4.604 50 0 DJAAMO C[N@@H+](CCOc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000004905510 181171223 /nfs/dbraw/zinc/17/12/23/181171223.db2.gz NNAYUDQWATWDIH-UHFFFAOYSA-N 1 1 310.224 4.504 50 0 DJAAMO CCCC[N@@H+](Cc1ccc(Br)o1)Cc1ccccc1 ZINC000006397516 181337084 /nfs/dbraw/zinc/33/70/84/181337084.db2.gz IVLNKGSTGJMWEU-UHFFFAOYSA-N 1 1 322.246 4.844 50 0 DJAAMO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1cccs1)c1ncc[nH]1)CCC2 ZINC000195085845 201337103 /nfs/dbraw/zinc/33/71/03/201337103.db2.gz ZVWGVDGKQGAUAR-WMZOPIPTSA-N 1 1 323.465 4.536 50 0 DJAAMO CC(C)c1cccc(OCC[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624344 181362387 /nfs/dbraw/zinc/36/23/87/181362387.db2.gz LGWMZWJFYITHPM-OAQYLSRUSA-N 1 1 324.468 4.811 50 0 biogenic DJAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717414 181578537 /nfs/dbraw/zinc/57/85/37/181578537.db2.gz FAYVLRDNLSDICJ-MRXNPFEDSA-N 1 1 312.457 4.630 50 0 DJAAMO CCN(Cc1ccccc1)C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000019868458 182158474 /nfs/dbraw/zinc/15/84/74/182158474.db2.gz NXXMIBBWTUIWRO-NQIIRXRSSA-N 1 1 314.517 4.552 50 0 DJAAMO CC(C)c1c[nH]nc1[C@H]1CCC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000020598490 182236350 /nfs/dbraw/zinc/23/63/50/182236350.db2.gz VVOZPRDRWVBYSI-AEFFLSMTSA-N 1 1 311.473 4.516 50 0 DJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000021720865 182286666 /nfs/dbraw/zinc/28/66/66/182286666.db2.gz PPSNLYNYILPVQL-OAHLLOKOSA-N 1 1 304.821 4.536 50 0 DJAAMO Fc1cccc([C@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000040153831 183040618 /nfs/dbraw/zinc/04/06/18/183040618.db2.gz VAMCGPCNAFAGSX-GOSISDBHSA-N 1 1 322.383 4.818 50 0 DJAAMO Fc1cccc([C@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000040153831 183040620 /nfs/dbraw/zinc/04/06/20/183040620.db2.gz VAMCGPCNAFAGSX-GOSISDBHSA-N 1 1 322.383 4.818 50 0 DJAAMO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000040153832 183040777 /nfs/dbraw/zinc/04/07/77/183040777.db2.gz VAMCGPCNAFAGSX-SFHVURJKSA-N 1 1 322.383 4.818 50 0 DJAAMO Fc1cccc([C@@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000040153832 183040779 /nfs/dbraw/zinc/04/07/79/183040779.db2.gz VAMCGPCNAFAGSX-SFHVURJKSA-N 1 1 322.383 4.818 50 0 DJAAMO Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)[C@@H](C)C(=O)[C@@H]2C)cc1 ZINC000057218382 184030153 /nfs/dbraw/zinc/03/01/53/184030153.db2.gz ORKDRKWSOGIHNW-SMOSDQRPSA-N 1 1 307.437 4.530 50 0 DJAAMO Cc1ccccc1C[N@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000057995455 184065528 /nfs/dbraw/zinc/06/55/28/184065528.db2.gz NMUORBNYFBQCOS-UHFFFAOYSA-N 1 1 318.420 4.814 50 0 DJAAMO CCC[N@@H+](Cc1nc2ccccc2o1)[C@H]1CCc2ccccc2C1 ZINC000064632608 184301706 /nfs/dbraw/zinc/30/17/06/184301706.db2.gz UFDHMEJJSVYAIN-SFHVURJKSA-N 1 1 320.436 4.597 50 0 DJAAMO Clc1ccc([C@@H]([NH2+]Cc2ccccn2)c2ccsc2)cc1 ZINC000067253658 257253811 /nfs/dbraw/zinc/25/38/11/257253811.db2.gz IUFIUAOLPBSESD-QGZVFWFLSA-N 1 1 314.841 4.676 50 0 DJAAMO COc1ccc(CNc2c(Cl)c(C)[nH+]c(C)c2Cl)cc1 ZINC000000408079 563252040 /nfs/dbraw/zinc/25/20/40/563252040.db2.gz LWRFOVKPACNNLT-UHFFFAOYSA-N 1 1 311.212 4.626 50 0 DJAAMO CCc1ccc(-c2cncc(C[N@@H+](C)Cc3ccccc3)c2)cc1 ZINC000034670396 563311400 /nfs/dbraw/zinc/31/14/00/563311400.db2.gz NBWJJWJWCZYDTP-UHFFFAOYSA-N 1 1 316.448 4.943 50 0 DJAAMO CC(C)c1ccc(N[C@H]2CCC[N@H+](C3CCSCC3)C2)cc1 ZINC000011821661 563360014 /nfs/dbraw/zinc/36/00/14/563360014.db2.gz IFNJEMLTBUVTTI-SFHVURJKSA-N 1 1 318.530 4.582 50 0 DJAAMO CCC[N@H+](Cc1nc(-c2cccc(F)c2F)oc1C)CC1CC1 ZINC000012702658 563372396 /nfs/dbraw/zinc/37/23/96/563372396.db2.gz AJZZBZLQEMBSFR-UHFFFAOYSA-N 1 1 320.383 4.550 50 0 DJAAMO COc1cccc2cc(C[NH2+][C@H](C)c3ccc(F)cc3F)oc21 ZINC000032740424 563388891 /nfs/dbraw/zinc/38/88/91/563388891.db2.gz SHPSJPSYEJLYTR-LLVKDONJSA-N 1 1 317.335 4.570 50 0 DJAAMO CCN(Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000014010817 563393878 /nfs/dbraw/zinc/39/38/78/563393878.db2.gz NXXMIBBWTUIWRO-WIYYLYMNSA-N 1 1 314.517 4.552 50 0 DJAAMO c1c2ccccc2oc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000015064727 563406985 /nfs/dbraw/zinc/40/69/85/563406985.db2.gz ORWURHFQLZYQEM-GOSISDBHSA-N 1 1 306.409 4.509 50 0 DJAAMO C[N@@H+](Cc1coc(-c2cccs2)n1)[C@@H]1CCCc2ccccc21 ZINC000027906152 563429974 /nfs/dbraw/zinc/42/99/74/563429974.db2.gz TWPAWADMIKFICK-QGZVFWFLSA-N 1 1 324.449 4.913 50 0 DJAAMO CCCCOc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000002907782 563449675 /nfs/dbraw/zinc/44/96/75/563449675.db2.gz AMMZQPZCGAOENQ-NRFANRHFSA-N 1 1 324.468 4.988 50 0 DJAAMO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccoc2)[C@@H]3CCC1 ZINC000005032503 563450361 /nfs/dbraw/zinc/45/03/61/563450361.db2.gz HWJIADRASWYXTF-HXUWFJFHSA-N 1 1 320.436 4.826 50 0 DJAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccoc2)[C@@H]3CCC1 ZINC000005032503 563450362 /nfs/dbraw/zinc/45/03/62/563450362.db2.gz HWJIADRASWYXTF-HXUWFJFHSA-N 1 1 320.436 4.826 50 0 DJAAMO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccccc2Cl)on1 ZINC000064984518 563486757 /nfs/dbraw/zinc/48/67/57/563486757.db2.gz YVYJPGHRCGDEEC-MRXNPFEDSA-N 1 1 304.821 4.789 50 0 DJAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccccc2Cl)on1 ZINC000064984518 563486759 /nfs/dbraw/zinc/48/67/59/563486759.db2.gz YVYJPGHRCGDEEC-MRXNPFEDSA-N 1 1 304.821 4.789 50 0 DJAAMO CC(C)c1cc(C2CC[NH+](Cc3cc4ccccc4o3)CC2)n[nH]1 ZINC000067723485 563489616 /nfs/dbraw/zinc/48/96/16/563489616.db2.gz VXLLNKXCGMMCMM-UHFFFAOYSA-N 1 1 323.440 4.659 50 0 DJAAMO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000124419358 563600588 /nfs/dbraw/zinc/60/05/88/563600588.db2.gz SKPJIYCOHZLFKU-AWEZNQCLSA-N 1 1 311.404 4.607 50 0 DJAAMO C[N@H+]1CCC[C@@H]1c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000002019260 563634257 /nfs/dbraw/zinc/63/42/57/563634257.db2.gz SLFSSUKLMIHWLW-HXUWFJFHSA-N 1 1 306.409 4.514 50 0 DJAAMO Fc1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)c2ncccc12 ZINC000051853010 563724095 /nfs/dbraw/zinc/72/40/95/563724095.db2.gz OHXIEEBVWSJXIF-KRWDZBQOSA-N 1 1 312.413 4.773 50 0 DJAAMO CSc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)s1 ZINC000225513349 563757404 /nfs/dbraw/zinc/75/74/04/563757404.db2.gz LKGOATRMOITIIG-INIZCTEOSA-N 1 1 318.511 4.982 50 0 DJAAMO CCCOc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000001833747 563882246 /nfs/dbraw/zinc/88/22/46/563882246.db2.gz NRRHFCIUBUJLNZ-FQEVSTJZSA-N 1 1 310.441 4.598 50 0 biogenic DJAAMO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000007538320 563908302 /nfs/dbraw/zinc/90/83/02/563908302.db2.gz RYJIIISCMQWCRW-LLVKDONJSA-N 1 1 318.829 4.907 50 0 DJAAMO CCCOc1ccccc1CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000002087508 563913675 /nfs/dbraw/zinc/91/36/75/563913675.db2.gz CXMQRCPGLWUBHZ-FQEVSTJZSA-N 1 1 324.468 4.640 50 0 biogenic DJAAMO CCCCc1ccc2[nH]c(C)c(C[N@H+](C)CCCC)c(=O)c2c1 ZINC000008717212 563949915 /nfs/dbraw/zinc/94/99/15/563949915.db2.gz AETBJAXFKWWDLR-UHFFFAOYSA-N 1 1 314.473 4.823 50 0 DJAAMO CC[C@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000009911017 563958008 /nfs/dbraw/zinc/95/80/08/563958008.db2.gz SNXYGJNRKNUFMK-ZDUSSCGKSA-N 1 1 318.848 4.667 50 0 DJAAMO Cc1ccc2c(c1)c1c(n2CCCc2ccccc2)CC[N@@H+](C)C1 ZINC000075567534 568418685 /nfs/dbraw/zinc/41/86/85/568418685.db2.gz MSTOUKCEVKEVTQ-UHFFFAOYSA-N 1 1 318.464 4.570 50 0 DJAAMO Cc1ccc2c(c1)c1c(n2CCCc2ccccc2)CC[N@H+](C)C1 ZINC000075567534 568418687 /nfs/dbraw/zinc/41/86/87/568418687.db2.gz MSTOUKCEVKEVTQ-UHFFFAOYSA-N 1 1 318.464 4.570 50 0 DJAAMO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cn1 ZINC000095422099 185360930 /nfs/dbraw/zinc/36/09/30/185360930.db2.gz AMZFBLPMXUHSID-QWHCGFSZSA-N 1 1 320.506 4.630 50 0 DJAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000095468624 185372272 /nfs/dbraw/zinc/37/22/72/185372272.db2.gz NCUKLVPGSRYDFG-AWEZNQCLSA-N 1 1 310.372 4.674 50 0 DJAAMO CCCC[N@@H+](C)Cc1c(-c2ccc(C)cc2)nc2sccn12 ZINC000004566802 181125291 /nfs/dbraw/zinc/12/52/91/181125291.db2.gz FQSMGJRCJJMTFA-UHFFFAOYSA-N 1 1 313.470 4.603 50 0 DJAAMO CCC[C@@H]1C(=O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000015659080 182010385 /nfs/dbraw/zinc/01/03/85/182010385.db2.gz XZBGVWXVDNDYBH-SFHLNBCPSA-N 1 1 307.437 4.790 50 0 DJAAMO CCC[C@@H]1C(=O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000015659080 182010387 /nfs/dbraw/zinc/01/03/87/182010387.db2.gz XZBGVWXVDNDYBH-SFHLNBCPSA-N 1 1 307.437 4.790 50 0 DJAAMO Fc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000015836707 182020575 /nfs/dbraw/zinc/02/05/75/182020575.db2.gz TUJLQCIHEHSNRV-QGZVFWFLSA-N 1 1 307.771 4.955 50 0 DJAAMO Fc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000015836707 182020577 /nfs/dbraw/zinc/02/05/77/182020577.db2.gz TUJLQCIHEHSNRV-QGZVFWFLSA-N 1 1 307.771 4.955 50 0 DJAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837246 182020758 /nfs/dbraw/zinc/02/07/58/182020758.db2.gz HQMKBCFYCQGEKO-FQEVSTJZSA-N 1 1 313.416 4.950 50 0 DJAAMO CCCOc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000022034338 182305382 /nfs/dbraw/zinc/30/53/82/182305382.db2.gz CITYWBRZDXKQBZ-FQEVSTJZSA-N 1 1 310.441 4.598 50 0 DJAAMO CCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000022034334 182305674 /nfs/dbraw/zinc/30/56/74/182305674.db2.gz CITYWBRZDXKQBZ-HXUWFJFHSA-N 1 1 310.441 4.598 50 0 DJAAMO C[N@@H+](Cc1ncc(-c2ccccc2)o1)[C@H]1CCCc2ccccc21 ZINC000023053733 182346449 /nfs/dbraw/zinc/34/64/49/182346449.db2.gz IMADOXKAJJEDAT-IBGZPJMESA-N 1 1 318.420 4.851 50 0 DJAAMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000040153674 183040760 /nfs/dbraw/zinc/04/07/60/183040760.db2.gz XADQFKRBOCONMW-IBGZPJMESA-N 1 1 318.420 4.987 50 0 DJAAMO CC(C)c1c[nH]nc1[C@H]1CCC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000106721986 194247155 /nfs/dbraw/zinc/24/71/55/194247155.db2.gz VVOZPRDRWVBYSI-WMZOPIPTSA-N 1 1 311.473 4.516 50 0 DJAAMO Cc1nc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)cs1 ZINC000058153250 184081558 /nfs/dbraw/zinc/08/15/58/184081558.db2.gz GVDMYSZBWLLPGR-QMMMGPOBSA-N 1 1 301.242 4.609 50 0 DJAAMO Cc1ccccc1C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000060356450 184146735 /nfs/dbraw/zinc/14/67/35/184146735.db2.gz XAMNBZLLTDEMKW-UHFFFAOYSA-N 1 1 320.436 4.715 50 0 DJAAMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cc(-c3ccccc3)no2)cc1 ZINC000059038230 184134018 /nfs/dbraw/zinc/13/40/18/184134018.db2.gz DNEFECVZRNFVGA-INIZCTEOSA-N 1 1 306.409 4.843 50 0 DJAAMO CC(C)[N@@H+](Cc1nc2ccccc2o1)Cc1cccc(Cl)c1 ZINC000059385990 184137979 /nfs/dbraw/zinc/13/79/79/184137979.db2.gz ZFBGGBSOARBKAQ-UHFFFAOYSA-N 1 1 314.816 4.892 50 0 DJAAMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000003680967 257267399 /nfs/dbraw/zinc/26/73/99/257267399.db2.gz RZUKLYYDURBWJF-KRWDZBQOSA-N 1 1 319.448 4.911 50 0 DJAAMO CC(C)[N@@H+](Cc1cccnc1)Cc1ccc(Cl)c(Cl)c1 ZINC000089869612 563911640 /nfs/dbraw/zinc/91/16/40/563911640.db2.gz ZKWWZOKRTHMDGK-UHFFFAOYSA-N 1 1 309.240 4.799 50 0 DJAAMO Cc1cc(OCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000002825179 563913007 /nfs/dbraw/zinc/91/30/07/563913007.db2.gz RZVBGYDXLDYFIA-GASCZTMLSA-N 1 1 309.881 4.785 50 0 DJAAMO COc1cccc(N2CCc3c2c2cc(Cl)ccc2[nH+]c3C)c1 ZINC000000156962 563225927 /nfs/dbraw/zinc/22/59/27/563225927.db2.gz CCROLCXCZVRRLJ-UHFFFAOYSA-N 1 1 324.811 4.899 50 0 DJAAMO CC(C)(C)[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000000200217 563229835 /nfs/dbraw/zinc/22/98/35/563229835.db2.gz QUTZYHCYYKOUGT-UHFFFAOYSA-N 1 1 321.424 4.537 50 0 DJAAMO O=C(CCCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000001778374 563295689 /nfs/dbraw/zinc/29/56/89/563295689.db2.gz PKNQADVTXRUPKA-HXUWFJFHSA-N 1 1 307.437 4.529 50 0 DJAAMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000012456491 563369731 /nfs/dbraw/zinc/36/97/31/563369731.db2.gz SWISKZFSWMEBGY-LLVKDONJSA-N 1 1 318.467 4.966 50 0 DJAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000012456491 563369736 /nfs/dbraw/zinc/36/97/36/563369736.db2.gz SWISKZFSWMEBGY-LLVKDONJSA-N 1 1 318.467 4.966 50 0 DJAAMO CCC1CCC(N2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022575799 563419134 /nfs/dbraw/zinc/41/91/34/563419134.db2.gz DGZHQCBZSBQFIX-HXJFWZBSSA-N 1 1 318.549 4.684 50 0 DJAAMO COc1ccc2c(c1)C[N@H+](C)C[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000029230271 563434003 /nfs/dbraw/zinc/43/40/03/563434003.db2.gz ZJDCGVDEEHWEIG-OAHLLOKOSA-N 1 1 322.235 4.579 50 0 in-man DJAAMO CCSCCC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000072304827 563443984 /nfs/dbraw/zinc/44/39/84/563443984.db2.gz UDOQKNZPZVKGIN-MRXNPFEDSA-N 1 1 323.552 4.900 50 0 DJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087321 563444419 /nfs/dbraw/zinc/44/44/19/563444419.db2.gz FKOBIOVFDIBBQD-KRWDZBQOSA-N 1 1 301.455 4.874 50 0 DJAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cn(C(C)C)c3ccccc23)on1 ZINC000035453891 563452671 /nfs/dbraw/zinc/45/26/71/563452671.db2.gz GEOYNXVGWFYJNT-IBGZPJMESA-N 1 1 323.440 4.856 50 0 DJAAMO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1csc(C(C)=O)c1 ZINC000055271255 563473795 /nfs/dbraw/zinc/47/37/95/563473795.db2.gz LRQJFRBSUAIIGL-LBPRGKRZSA-N 1 1 307.484 4.813 50 0 DJAAMO CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1csc(C(C)=O)c1 ZINC000055271255 563473799 /nfs/dbraw/zinc/47/37/99/563473799.db2.gz LRQJFRBSUAIIGL-LBPRGKRZSA-N 1 1 307.484 4.813 50 0 DJAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccco3)cc2)no1 ZINC000097076477 563538051 /nfs/dbraw/zinc/53/80/51/563538051.db2.gz SIPAWSXVXIPQNT-SFHVURJKSA-N 1 1 308.381 4.580 50 0 DJAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(-c3ccco3)cc2)no1 ZINC000097076477 563538053 /nfs/dbraw/zinc/53/80/53/563538053.db2.gz SIPAWSXVXIPQNT-SFHVURJKSA-N 1 1 308.381 4.580 50 0 DJAAMO COc1ccccc1-c1[nH+]c2ccccn2c1NC1CCCCC1 ZINC000000319819 563588003 /nfs/dbraw/zinc/58/80/03/563588003.db2.gz GXJFRHIBYSBIGD-UHFFFAOYSA-N 1 1 321.424 4.755 50 0 DJAAMO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000075093154 563859065 /nfs/dbraw/zinc/85/90/65/563859065.db2.gz RKKUPKDWKVHFGQ-NSHDSACASA-N 1 1 317.845 4.642 50 0 DJAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000036347929 563895548 /nfs/dbraw/zinc/89/55/48/563895548.db2.gz DTIYUDNKPQMFIK-QFIPXVFZSA-N 1 1 316.448 4.792 50 0 DJAAMO c1csc(-c2cc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)no2)c1 ZINC000170626885 563908787 /nfs/dbraw/zinc/90/87/87/563908787.db2.gz FKGITLWUKUNCEV-SFHVURJKSA-N 1 1 314.454 4.725 50 0 DJAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cnoc1-c1ccco1 ZINC000089904637 563912149 /nfs/dbraw/zinc/91/21/49/563912149.db2.gz IQYQPQKARUPPNH-CYBMUJFWSA-N 1 1 322.364 4.874 50 0 DJAAMO Cc1cc(Cl)cc(C)c1OCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000002823186 563913056 /nfs/dbraw/zinc/91/30/56/563913056.db2.gz JQTDKIIVIARNKU-AWEZNQCLSA-N 1 1 309.881 4.848 50 0 DJAAMO Cc1ccc(Cl)c(OCCC[N@H+](C)Cc2ccccc2)c1 ZINC000002825266 563913098 /nfs/dbraw/zinc/91/30/98/563913098.db2.gz ZQEXXTHWIUDAAP-UHFFFAOYSA-N 1 1 303.833 4.549 50 0 DJAAMO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1occc1Br ZINC000095967200 563932852 /nfs/dbraw/zinc/93/28/52/563932852.db2.gz NARUBECAUNHION-IAQYHMDHSA-N 1 1 320.230 4.844 50 0 DJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(O)(c1ccccc1)c1ccccc1 ZINC000029551831 563941204 /nfs/dbraw/zinc/94/12/04/563941204.db2.gz YWUUDSJJYZRSQL-KDURUIRLSA-N 1 1 323.480 4.576 50 0 DJAAMO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@H+](C)C1CCCCC1)c2=O ZINC000008717429 563950186 /nfs/dbraw/zinc/95/01/86/563950186.db2.gz HIGCSCPKKGSSSI-UHFFFAOYSA-N 1 1 312.457 4.630 50 0 DJAAMO C[N@@H+](Cc1ccccc1NC(=O)OC(C)(C)C)C1CCCCC1 ZINC000078574325 563961144 /nfs/dbraw/zinc/96/11/44/563961144.db2.gz UYUQTSYPHKMNFV-UHFFFAOYSA-N 1 1 318.461 4.798 50 0 DJAAMO c1csc(-c2nc(C[NH2+][C@H]3CCCc4sccc43)co2)c1 ZINC000095420928 185360303 /nfs/dbraw/zinc/36/03/03/185360303.db2.gz GZWIBDWOBPJRCK-ZDUSSCGKSA-N 1 1 316.451 4.632 50 0 DJAAMO COc1ccsc1C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095467761 185371985 /nfs/dbraw/zinc/37/19/85/185371985.db2.gz OQKMMAIUYOBIHU-UHFFFAOYSA-N 1 1 324.449 4.527 50 0 DJAAMO Cc1[nH+]c2cc(C)c(C)cc2n1CCCOc1ccccc1C ZINC000006767830 181385145 /nfs/dbraw/zinc/38/51/45/181385145.db2.gz GQKIFLAQOMYFKV-UHFFFAOYSA-N 1 1 308.425 4.739 50 0 DJAAMO CC[N@H+]1Cc2cccc(CNc3ccc(C)c(Cl)c3)c2C1 ZINC000006809081 181392636 /nfs/dbraw/zinc/39/26/36/181392636.db2.gz RLNWTXKJIJNEDX-UHFFFAOYSA-N 1 1 300.833 4.596 50 0 DJAAMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(F)cn1 ZINC000092195069 193172226 /nfs/dbraw/zinc/17/22/26/193172226.db2.gz FUWZTKMTRQTUDL-UWVGGRQHSA-N 1 1 313.203 4.939 50 0 DJAAMO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000015836659 182020454 /nfs/dbraw/zinc/02/04/54/182020454.db2.gz UGYADXGHWGJKIG-KRWDZBQOSA-N 1 1 307.771 4.955 50 0 DJAAMO Fc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000015836659 182020456 /nfs/dbraw/zinc/02/04/56/182020456.db2.gz UGYADXGHWGJKIG-KRWDZBQOSA-N 1 1 307.771 4.955 50 0 DJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(SC)cc1 ZINC000015866940 182023010 /nfs/dbraw/zinc/02/30/10/182023010.db2.gz LQOQORTUXPHQSN-MRXNPFEDSA-N 1 1 316.470 4.604 50 0 DJAAMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](CN1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2 ZINC000019320122 182114809 /nfs/dbraw/zinc/11/48/09/182114809.db2.gz ZZXYJYCEOKXSBN-ALFLXDJESA-N 1 1 318.549 4.745 50 0 biogenic DJAAMO C[C@]12C[C@H](CC(C)(C)C1)N(C[N@@H+]1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2 ZINC000019320122 182114810 /nfs/dbraw/zinc/11/48/10/182114810.db2.gz ZZXYJYCEOKXSBN-ALFLXDJESA-N 1 1 318.549 4.745 50 0 biogenic DJAAMO C[C@]12C[C@H](CC(C)(C)C1)N(C[N@H+]1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2 ZINC000019320122 182114811 /nfs/dbraw/zinc/11/48/11/182114811.db2.gz ZZXYJYCEOKXSBN-ALFLXDJESA-N 1 1 318.549 4.745 50 0 biogenic DJAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000021720863 182286370 /nfs/dbraw/zinc/28/63/70/182286370.db2.gz PPSNLYNYILPVQL-HNNXBMFYSA-N 1 1 304.821 4.536 50 0 DJAAMO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000040468534 183073567 /nfs/dbraw/zinc/07/35/67/183073567.db2.gz PCUZXESFAKORAE-HOTGVXAUSA-N 1 1 321.424 4.765 50 0 DJAAMO C[C@@H]1CCC[N@H+](Cn2c3cc(Cl)ccc3sc2=S)C1 ZINC000057556691 184042176 /nfs/dbraw/zinc/04/21/76/184042176.db2.gz KAEBHKBVJMYRCE-SNVBAGLBSA-N 1 1 312.891 4.775 50 0 DJAAMO C[C@@H]1CCC[N@@H+](Cn2c3cc(Cl)ccc3sc2=S)C1 ZINC000057556691 184042177 /nfs/dbraw/zinc/04/21/77/184042177.db2.gz KAEBHKBVJMYRCE-SNVBAGLBSA-N 1 1 312.891 4.775 50 0 DJAAMO CC[N@@H+](Cc1nc2ccccc2n1C(F)F)C1CCCCC1 ZINC000059037347 184133897 /nfs/dbraw/zinc/13/38/97/184133897.db2.gz YIIFLVGMMGHCTQ-UHFFFAOYSA-N 1 1 307.388 4.586 50 0 DJAAMO Cc1ccc(C[N@@H+](Cc2ncc(C(C)(C)C)o2)C(C)C)s1 ZINC000060041951 184143421 /nfs/dbraw/zinc/14/34/21/184143421.db2.gz NFCKRJJWCFUFPT-UHFFFAOYSA-N 1 1 306.475 4.753 50 0 DJAAMO Cc1ccc(C[N@H+](Cc2ncc(C(C)(C)C)o2)C(C)C)s1 ZINC000060041951 184143423 /nfs/dbraw/zinc/14/34/23/184143423.db2.gz NFCKRJJWCFUFPT-UHFFFAOYSA-N 1 1 306.475 4.753 50 0 DJAAMO Cc1nc([C@H](C)[N@H+](C)Cc2ccnc3ccccc23)c(C)s1 ZINC000065530440 184360905 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c1c2ccccc2oc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000015064728 563407038 /nfs/dbraw/zinc/40/70/38/563407038.db2.gz ORWURHFQLZYQEM-SFHVURJKSA-N 1 1 306.409 4.509 50 0 DJAAMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828202 563436342 /nfs/dbraw/zinc/43/63/42/563436342.db2.gz FRUAPJDRGWPPIT-QGZVFWFLSA-N 1 1 306.409 4.516 50 0 DJAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1O ZINC000033087149 563443833 /nfs/dbraw/zinc/44/38/33/563443833.db2.gz DKVDGSWGZILXQT-HNNXBMFYSA-N 1 1 317.454 4.580 50 0 DJAAMO CCSCCC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000072304828 563443867 /nfs/dbraw/zinc/44/38/67/563443867.db2.gz UDOQKNZPZVKGIN-INIZCTEOSA-N 1 1 323.552 4.900 50 0 DJAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cn(C(C)C)c3ccccc23)on1 ZINC000035453894 563452862 /nfs/dbraw/zinc/45/28/62/563452862.db2.gz GEOYNXVGWFYJNT-LJQANCHMSA-N 1 1 323.440 4.856 50 0 DJAAMO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)on1 ZINC000064984472 563487041 /nfs/dbraw/zinc/48/70/41/563487041.db2.gz UUTUAQZLWAPTHI-MRXNPFEDSA-N 1 1 304.821 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308.381 4.580 50 0 DJAAMO CC[C@H]1C(=O)[C@@H](CC)[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000101170124 563556815 /nfs/dbraw/zinc/55/68/15/563556815.db2.gz UWLZKFVZABBKHL-FGYAAKKASA-N 1 1 307.437 4.694 50 0 DJAAMO c1cc([C@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)cs1 ZINC000048234749 563693212 /nfs/dbraw/zinc/69/32/12/563693212.db2.gz JNGYMEVZOOQQBK-MRXNPFEDSA-N 1 1 310.422 4.740 50 0 DJAAMO c1cc([C@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)cs1 ZINC000048234749 563693215 /nfs/dbraw/zinc/69/32/15/563693215.db2.gz JNGYMEVZOOQQBK-MRXNPFEDSA-N 1 1 310.422 4.740 50 0 DJAAMO c1ncn(C2CCCCC2)c1C[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000244594038 563779035 /nfs/dbraw/zinc/77/90/35/563779035.db2.gz DFLAMAVGQNMJCH-HXUWFJFHSA-N 1 1 324.472 4.511 50 0 DJAAMO c1ncn(C2CCCCC2)c1C[N@H+]1CCCC[C@@H]1c1ccccn1 ZINC000244594038 563779036 /nfs/dbraw/zinc/77/90/36/563779036.db2.gz DFLAMAVGQNMJCH-HXUWFJFHSA-N 1 1 324.472 4.511 50 0 DJAAMO C[C@@H](C(=O)c1c[nH]c2ccccc21)[N@H+]1CCC[C@H]1c1cccs1 ZINC000241121844 563880340 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C[C@@H]([NH2+][C@@H](C)c1ccccc1Oc1ccccc1)c1cnccn1 ZINC000095421568 185360605 /nfs/dbraw/zinc/36/06/05/185360605.db2.gz PZOJFRRUKHULCW-JKSUJKDBSA-N 1 1 319.408 4.681 50 0 DJAAMO Cc1cnc([C@H]([NH2+][C@@H](C)c2ccc3ccccc3n2)C2CC2)s1 ZINC000095423349 185361129 /nfs/dbraw/zinc/36/11/29/185361129.db2.gz SKIIBWGHWYLFPX-SCLBCKFNSA-N 1 1 323.465 4.802 50 0 DJAAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072480435 191180797 /nfs/dbraw/zinc/18/07/97/191180797.db2.gz APLRFTBOKJCZFX-ZDUSSCGKSA-N 1 1 321.380 4.609 50 0 DJAAMO C[C@@H](COc1cccc2ccccc21)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004837603 181159876 /nfs/dbraw/zinc/15/98/76/181159876.db2.gz CNIUMNFDNVKUAK-FGTMMUONSA-N 1 1 311.469 4.833 50 0 DJAAMO CCCC[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1 ZINC000005483914 181248597 /nfs/dbraw/zinc/24/85/97/181248597.db2.gz ZICDLTAYKKWGSS-UHFFFAOYSA-N 1 1 321.424 4.539 50 0 DJAAMO CCCC[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1 ZINC000005483914 181248599 /nfs/dbraw/zinc/24/85/99/181248599.db2.gz ZICDLTAYKKWGSS-UHFFFAOYSA-N 1 1 321.424 4.539 50 0 DJAAMO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1cccs1)c1ncc[nH]1)CCC2 ZINC000195085836 201336333 /nfs/dbraw/zinc/33/63/33/201336333.db2.gz ZVWGVDGKQGAUAR-AEFFLSMTSA-N 1 1 323.465 4.536 50 0 DJAAMO CC(C)CC[C@H](CC[NH2+]CCCN(C)C)c1ccc(Cl)cc1 ZINC000006662016 181367470 /nfs/dbraw/zinc/36/74/70/181367470.db2.gz LCOKOKUOQFDGNF-GOSISDBHSA-N 1 1 324.940 4.791 50 0 DJAAMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(F)cn1 ZINC000092195071 193172535 /nfs/dbraw/zinc/17/25/35/193172535.db2.gz FUWZTKMTRQTUDL-VHSXEESVSA-N 1 1 313.203 4.939 50 0 DJAAMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837249 182020559 /nfs/dbraw/zinc/02/05/59/182020559.db2.gz GNQLQBOVZSTJCE-HXUWFJFHSA-N 1 1 313.416 4.952 50 0 DJAAMO C[N@H+](Cc1ccc(-c2ccccc2)cc1)C[C@H](O)c1ccccc1 ZINC000023280030 182355475 /nfs/dbraw/zinc/35/54/75/182355475.db2.gz WIJDURCVVJOMOT-QFIPXVFZSA-N 1 1 317.432 4.519 50 0 DJAAMO C[N@H+](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)c1ccccc1 ZINC000023280027 182355680 /nfs/dbraw/zinc/35/56/80/182355680.db2.gz WIJDURCVVJOMOT-JOCHJYFZSA-N 1 1 317.432 4.519 50 0 DJAAMO c1coc(C[N@H+](Cc2ncc(-c3ccccc3)o2)C2CCCC2)c1 ZINC000040153638 183040737 /nfs/dbraw/zinc/04/07/37/183040737.db2.gz CKEVTBUYCZHJHB-UHFFFAOYSA-N 1 1 322.408 4.879 50 0 DJAAMO c1coc(C[N@@H+](Cc2ncc(-c3ccccc3)o2)C2CCCC2)c1 ZINC000040153638 183040740 /nfs/dbraw/zinc/04/07/40/183040740.db2.gz CKEVTBUYCZHJHB-UHFFFAOYSA-N 1 1 322.408 4.879 50 0 DJAAMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000058160036 184082343 /nfs/dbraw/zinc/08/23/43/184082343.db2.gz AOYWLCSJUWFFFE-MRXNPFEDSA-N 1 1 324.449 4.558 50 0 DJAAMO Cc1ccccc1-c1cc([C@@H]2CC[N@@H+](Cc3ccco3)C2)ccn1 ZINC000065404790 184337620 /nfs/dbraw/zinc/33/76/20/184337620.db2.gz GQZPGQTVQCMICQ-GOSISDBHSA-N 1 1 318.420 4.640 50 0 DJAAMO Cc1nc([C@@H](C)[N@H+](C)Cc2ccnc3ccccc23)c(C)s1 ZINC000065530437 184361203 /nfs/dbraw/zinc/36/12/03/184361203.db2.gz RUYJVMWZRGPXHR-GFCCVEGCSA-N 1 1 311.454 4.501 50 0 DJAAMO Cc1nc([C@@H](C)[N@@H+](C)Cc2ccnc3ccccc23)c(C)s1 ZINC000065530437 184361206 /nfs/dbraw/zinc/36/12/06/184361206.db2.gz RUYJVMWZRGPXHR-GFCCVEGCSA-N 1 1 311.454 4.501 50 0 DJAAMO CC1=C(CC[N@H+](C)C[C@@H](O)c2ccccc2)C(C)(C)CCC1 ZINC000002498587 563304293 /nfs/dbraw/zinc/30/42/93/563304293.db2.gz CMAXEUZLLRCSAR-LJQANCHMSA-N 1 1 301.474 4.569 50 0 DJAAMO C[N@@H+](Cc1ccccc1)Cc1cncc(-c2cc(F)cc(F)c2)c1 ZINC000034670362 563310884 /nfs/dbraw/zinc/31/08/84/563310884.db2.gz UGDAXQQNQNPLAK-UHFFFAOYSA-N 1 1 324.374 4.659 50 0 DJAAMO Clc1ccc(OCCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000002839466 563314236 /nfs/dbraw/zinc/31/42/36/563314236.db2.gz PIIMDINTTDAQQE-UHFFFAOYSA-N 1 1 315.844 4.557 50 0 DJAAMO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CC(C)(C)C)C2)c1 ZINC000011912228 563359608 /nfs/dbraw/zinc/35/96/08/563359608.db2.gz QSMHNWVVRZTMSL-KRWDZBQOSA-N 1 1 311.473 4.611 50 0 DJAAMO CCn1c2ccccc2cc/c1=[NH+]\c1ccc2nc(C)sc2c1 ZINC000013286454 563379827 /nfs/dbraw/zinc/37/98/27/563379827.db2.gz CBPJLOJGMJAHSM-XUTLUUPISA-N 1 1 319.433 4.812 50 0 DJAAMO Cc1ccc(C[N@H+](Cc2coc(-c3cccs3)n2)C2CC2)cc1 ZINC000032804202 563395323 /nfs/dbraw/zinc/39/53/23/563395323.db2.gz HZIJOXDHMPVTLY-UHFFFAOYSA-N 1 1 324.449 4.876 50 0 DJAAMO Cc1ccc(C[N@@H+](Cc2coc(-c3cccs3)n2)C2CC2)cc1 ZINC000032804202 563395325 /nfs/dbraw/zinc/39/53/25/563395325.db2.gz HZIJOXDHMPVTLY-UHFFFAOYSA-N 1 1 324.449 4.876 50 0 DJAAMO Cc1ccccc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029828203 563436395 /nfs/dbraw/zinc/43/63/95/563436395.db2.gz FRUAPJDRGWPPIT-KRWDZBQOSA-N 1 1 306.409 4.516 50 0 DJAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)on1 ZINC000035453921 563452743 /nfs/dbraw/zinc/45/27/43/563452743.db2.gz RPTCYHBBEPDTPE-SFHVURJKSA-N 1 1 309.413 4.616 50 0 DJAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)on1 ZINC000035453923 563452807 /nfs/dbraw/zinc/45/28/07/563452807.db2.gz RPTCYHBBEPDTPE-GOSISDBHSA-N 1 1 309.413 4.616 50 0 DJAAMO Cc1ccc2[nH+]c(-c3ccccc3)c(NCc3ccccc3)n2c1 ZINC000035616131 563453345 /nfs/dbraw/zinc/45/33/45/563453345.db2.gz PPKPREDMOKCYLO-UHFFFAOYSA-N 1 1 313.404 4.922 50 0 DJAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccco1 ZINC000000090362 563528138 /nfs/dbraw/zinc/52/81/38/563528138.db2.gz WHGGMAVCKNYMNJ-HXUWFJFHSA-N 1 1 317.392 4.974 50 0 DJAAMO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000048288794 563694823 /nfs/dbraw/zinc/69/48/23/563694823.db2.gz NDPMJVDYYMMSHK-HNNXBMFYSA-N 1 1 307.846 4.747 50 0 DJAAMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000048288794 563694825 /nfs/dbraw/zinc/69/48/25/563694825.db2.gz NDPMJVDYYMMSHK-HNNXBMFYSA-N 1 1 307.846 4.747 50 0 DJAAMO CC(C)c1nnc(C[N@H+]2CCCCC[C@@H]2C2CCCCC2)o1 ZINC000225397116 563753962 /nfs/dbraw/zinc/75/39/62/563753962.db2.gz ANZXYRNBUNRXDJ-MRXNPFEDSA-N 1 1 305.466 4.518 50 0 DJAAMO Cc1ccccc1[C@@H]1[NH2+][C@H](c2ccccc2C)[C@@H](C)C(=O)[C@H]1C ZINC000229933359 563773547 /nfs/dbraw/zinc/77/35/47/563773547.db2.gz GZFSBHPTKSDFKX-OBMJPTGESA-N 1 1 307.437 4.530 50 0 DJAAMO c1ncn(C2CCCCC2)c1C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000244594037 563779112 /nfs/dbraw/zinc/77/91/12/563779112.db2.gz DFLAMAVGQNMJCH-FQEVSTJZSA-N 1 1 324.472 4.511 50 0 DJAAMO c1ncn(C2CCCCC2)c1C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000244594037 563779113 /nfs/dbraw/zinc/77/91/13/563779113.db2.gz DFLAMAVGQNMJCH-FQEVSTJZSA-N 1 1 324.472 4.511 50 0 DJAAMO CCC[N@@H+](Cc1nc2ccccc2o1)[C@@H]1CCc2ccccc2C1 ZINC000084755252 563830604 /nfs/dbraw/zinc/83/06/04/563830604.db2.gz UFDHMEJJSVYAIN-GOSISDBHSA-N 1 1 320.436 4.597 50 0 DJAAMO CCCC[C@@]1(O)C[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000239165145 563879504 /nfs/dbraw/zinc/87/95/04/563879504.db2.gz NOGGZZYZLNOAKR-KOUNCHBCSA-N 1 1 323.480 5.116 50 0 DJAAMO CCC[C@]1(O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)[C@H]1C ZINC000239432756 563880192 /nfs/dbraw/zinc/88/01/92/563880192.db2.gz WIWFYRAALDRLRH-CIQXWFTPSA-N 1 1 323.480 4.972 50 0 DJAAMO CC[C@@H](C)[N@H+](Cc1cc(C)ccc1C)C[C@H](O)c1ccccc1 ZINC000036031684 563892351 /nfs/dbraw/zinc/89/23/51/563892351.db2.gz AFYIHOFGMUCEOO-NQIIRXRSSA-N 1 1 311.469 4.638 50 0 DJAAMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C)ccc2C)s1 ZINC000170639769 563913890 /nfs/dbraw/zinc/91/38/90/563913890.db2.gz LIIDMLYBIIMQRY-OAHLLOKOSA-N 1 1 302.487 4.824 50 0 DJAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2c(C)ccc(C)c2c1=O ZINC000008717814 563950177 /nfs/dbraw/zinc/95/01/77/563950177.db2.gz LJRLMQBCPRUXGI-MRXNPFEDSA-N 1 1 312.457 4.630 50 0 DJAAMO CCCC[N@H+]1CC[C@H](OC(c2ccccc2)c2ccccc2)C1 ZINC000033639065 568412936 /nfs/dbraw/zinc/41/29/36/568412936.db2.gz QFGBDMAJXGJVDT-FQEVSTJZSA-N 1 1 309.453 4.667 50 0 DJAAMO Cc1nc(C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)sc1C ZINC000078970988 185137181 /nfs/dbraw/zinc/13/71/81/185137181.db2.gz ADRNMTBUNODNOL-CQSZACIVSA-N 1 1 300.471 4.561 50 0 DJAAMO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cn1 ZINC000095422098 185360645 /nfs/dbraw/zinc/36/06/45/185360645.db2.gz AMZFBLPMXUHSID-CHWSQXEVSA-N 1 1 320.506 4.630 50 0 DJAAMO Cc1cnc([C@@H]([NH2+][C@H](C)c2ccc3ccccc3n2)C2CC2)s1 ZINC000095423352 185361214 /nfs/dbraw/zinc/36/12/14/185361214.db2.gz SKIIBWGHWYLFPX-ACJLOTCBSA-N 1 1 323.465 4.802 50 0 DJAAMO CSc1ccc([C@H](C)[NH2+][C@H](C)c2nc(C)cs2)cc1F ZINC000097016763 185397604 /nfs/dbraw/zinc/39/76/04/185397604.db2.gz FHHNUGDBDYYKOR-WDEREUQCSA-N 1 1 310.463 4.724 50 0 DJAAMO CC1=CC[C@@H](C[NH+](CCCN(C)C)C[C@@H]2CC=C(C)CC2)CC1 ZINC000004023177 181063362 /nfs/dbraw/zinc/06/33/62/181063362.db2.gz FPDWDQUBDAOXGY-NHCUHLMSSA-N 1 1 318.549 4.733 50 0 biogenic DJAAMO c1ccc([C@@H]2C3=C(CCCC3)[N@@H+]3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000004027514 181064613 /nfs/dbraw/zinc/06/46/13/181064613.db2.gz BERGZMFIKZYZDE-HMXCVIKNSA-N 1 1 309.453 4.831 50 0 biogenic DJAAMO CCN(Cc1ccccc1)C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000004553809 181124009 /nfs/dbraw/zinc/12/40/09/181124009.db2.gz NXXMIBBWTUIWRO-RXVVDRJESA-N 1 1 314.517 4.552 50 0 DJAAMO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)o1 ZINC000004682157 181136509 /nfs/dbraw/zinc/13/65/09/181136509.db2.gz JCASRINAHJPSDP-UHFFFAOYSA-N 1 1 305.421 4.833 50 0 DJAAMO CC[N@@H+](Cc1ccccc1)Cc1c(OC)ccc2ccccc21 ZINC000004695070 181137836 /nfs/dbraw/zinc/13/78/36/181137836.db2.gz LJWUOGXHPYTUBN-UHFFFAOYSA-N 1 1 305.421 4.871 50 0 DJAAMO CCC[C@]1(O)C[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004992026 181186549 /nfs/dbraw/zinc/18/65/49/181186549.db2.gz WIWFYRAALDRLRH-XGARDCMYSA-N 1 1 323.480 4.972 50 0 DJAAMO CCCc1[nH+]c2c(c3[nH]c4ccccc4c31)C(=O)CC(C)(C)C2 ZINC000005904209 181295148 /nfs/dbraw/zinc/29/51/48/181295148.db2.gz LKMTXNPWZWZNFS-UHFFFAOYSA-N 1 1 306.409 4.824 50 0 biogenic DJAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837439 182020368 /nfs/dbraw/zinc/02/03/68/182020368.db2.gz LSKZYGVCDTZEQI-FQEVSTJZSA-N 1 1 313.416 4.950 50 0 DJAAMO C[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1Cl ZINC000020567400 182233573 /nfs/dbraw/zinc/23/35/73/182233573.db2.gz RCRHJXCDQPWSDT-NSHDSACASA-N 1 1 302.830 4.801 50 0 DJAAMO Cc1nc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)cs1 ZINC000058153254 184081328 /nfs/dbraw/zinc/08/13/28/184081328.db2.gz GVDMYSZBWLLPGR-MRVPVSSYSA-N 1 1 301.242 4.609 50 0 DJAAMO c1cc([C@@H]2CCC[N@@H+]2CCCOCCc2ccccc2)cs1 ZINC000058356708 184108357 /nfs/dbraw/zinc/10/83/57/184108357.db2.gz GHQDUPVUXVQIIF-IBGZPJMESA-N 1 1 315.482 4.534 50 0 DJAAMO Cc1cccc(C)c1NC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000065426743 184342775 /nfs/dbraw/zinc/34/27/75/184342775.db2.gz YLSUUCBYRWCNCL-QGZVFWFLSA-N 1 1 322.452 4.540 50 0 DJAAMO Cc1ccccc1-c1cc([C@H]2CC[N@@H+](Cc3ccco3)C2)ccn1 ZINC000065404791 184337990 /nfs/dbraw/zinc/33/79/90/184337990.db2.gz GQZPGQTVQCMICQ-SFHVURJKSA-N 1 1 318.420 4.640 50 0 DJAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)co2)c(C)c1 ZINC000065565556 184367350 /nfs/dbraw/zinc/36/73/50/184367350.db2.gz YWNJZQUCXXOBBG-LJQANCHMSA-N 1 1 321.424 4.624 50 0 DJAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)co2)c(C)c1 ZINC000065565556 184367353 /nfs/dbraw/zinc/36/73/53/184367353.db2.gz YWNJZQUCXXOBBG-LJQANCHMSA-N 1 1 321.424 4.624 50 0 DJAAMO Clc1ccc2c(c1)[nH+]ccc2N1CCC(n2cccc2)CC1 ZINC000000170937 563226902 /nfs/dbraw/zinc/22/69/02/563226902.db2.gz PMZXCXXAIYTPBO-UHFFFAOYSA-N 1 1 311.816 4.531 50 0 DJAAMO Cc1ccc(-c2cncc(C[N@@H+](C)Cc3ccccc3)c2)cc1 ZINC000034670325 563311331 /nfs/dbraw/zinc/31/13/31/563311331.db2.gz WKSLTYYDHSRDNV-UHFFFAOYSA-N 1 1 302.421 4.689 50 0 DJAAMO CCC[N@H+]1CCOc2ccc(C3=Cc4ccccc4CC3)cc2C1 ZINC000012099972 563361586 /nfs/dbraw/zinc/36/15/86/563361586.db2.gz RMOWFNPCWKGBLI-UHFFFAOYSA-N 1 1 319.448 4.778 50 0 DJAAMO Cc1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)cc1Cl ZINC000013943029 563392596 /nfs/dbraw/zinc/39/25/96/563392596.db2.gz FKZMBUGXKSBKRY-UHFFFAOYSA-N 1 1 301.773 4.791 50 0 DJAAMO Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)cc1 ZINC000029538073 563435258 /nfs/dbraw/zinc/43/52/58/563435258.db2.gz QEWZACBKTFJVIR-NRFANRHFSA-N 1 1 321.395 4.552 50 0 DJAAMO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2Cl)on1 ZINC000064984515 563486730 /nfs/dbraw/zinc/48/67/30/563486730.db2.gz YVYJPGHRCGDEEC-INIZCTEOSA-N 1 1 304.821 4.789 50 0 DJAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccccc2Cl)on1 ZINC000064984515 563486731 /nfs/dbraw/zinc/48/67/31/563486731.db2.gz YVYJPGHRCGDEEC-INIZCTEOSA-N 1 1 304.821 4.789 50 0 DJAAMO Clc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c2ccccc2n1 ZINC000097163119 563507763 /nfs/dbraw/zinc/50/77/63/563507763.db2.gz URDHCTDLMOSPRS-QGZVFWFLSA-N 1 1 311.816 4.553 50 0 DJAAMO Clc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c2ccccc2n1 ZINC000097163120 563507853 /nfs/dbraw/zinc/50/78/53/563507853.db2.gz URDHCTDLMOSPRS-KRWDZBQOSA-N 1 1 311.816 4.553 50 0 DJAAMO CCC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000060904485 563567751 /nfs/dbraw/zinc/56/77/51/563567751.db2.gz SXSWLKUQIYJNSH-ZIAGYGMSSA-N 1 1 319.474 4.761 50 0 DJAAMO Cc1cc2[nH+]c(-c3cccc(F)c3)c(NC(C)(C)C)n2c(C)c1 ZINC000000320309 563588222 /nfs/dbraw/zinc/58/82/22/563588222.db2.gz SKCBKCBSHSUSCB-UHFFFAOYSA-N 1 1 311.404 4.968 50 0 DJAAMO Cc1cc2[nH+]c(-c3ccccc3F)c(NC(C)(C)C)n2c(C)c1 ZINC000000320302 563588283 /nfs/dbraw/zinc/58/82/83/563588283.db2.gz AJDXCSLFKXIKMK-UHFFFAOYSA-N 1 1 311.404 4.968 50 0 DJAAMO c1cc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccccc3)n2)cs1 ZINC000048308772 563695553 /nfs/dbraw/zinc/69/55/53/563695553.db2.gz PGWTYFHNNXBYAD-KRWDZBQOSA-N 1 1 310.422 4.740 50 0 DJAAMO c1cc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)cs1 ZINC000048308772 563695557 /nfs/dbraw/zinc/69/55/57/563695557.db2.gz PGWTYFHNNXBYAD-KRWDZBQOSA-N 1 1 310.422 4.740 50 0 DJAAMO Oc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2ccc(Cl)o2)cc1 ZINC000215537523 563706332 /nfs/dbraw/zinc/70/63/32/563706332.db2.gz DVMJIVWXYKKJDL-HNNXBMFYSA-N 1 1 319.832 4.626 50 0 DJAAMO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000007538316 563717006 /nfs/dbraw/zinc/71/70/06/563717006.db2.gz RYJIIISCMQWCRW-NSHDSACASA-N 1 1 318.829 4.907 50 0 DJAAMO c1csc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)c[nH]2)c1 ZINC000075109066 563860155 /nfs/dbraw/zinc/86/01/55/563860155.db2.gz YFOURHGMSNIJFZ-CYBMUJFWSA-N 1 1 315.467 4.537 50 0 DJAAMO c1csc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccs3)c[nH]2)c1 ZINC000075109066 563860157 /nfs/dbraw/zinc/86/01/57/563860157.db2.gz YFOURHGMSNIJFZ-CYBMUJFWSA-N 1 1 315.467 4.537 50 0 DJAAMO c1csc(-c2ncc(C[N@@H+]3CCC[C@@H]3c3cccs3)[nH]2)c1 ZINC000075109066 563860159 /nfs/dbraw/zinc/86/01/59/563860159.db2.gz YFOURHGMSNIJFZ-CYBMUJFWSA-N 1 1 315.467 4.537 50 0 DJAAMO c1csc(-c2ncc(C[N@H+]3CCC[C@@H]3c3cccs3)[nH]2)c1 ZINC000075109066 563860162 /nfs/dbraw/zinc/86/01/62/563860162.db2.gz YFOURHGMSNIJFZ-CYBMUJFWSA-N 1 1 315.467 4.537 50 0 DJAAMO CC[N@@H+]1[C@H](c2ccccc2)[C@@H](C)C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000240936865 563880347 /nfs/dbraw/zinc/88/03/47/563880347.db2.gz SFCJAXKHIYXCGG-JSJNYSNDSA-N 1 1 307.437 4.646 50 0 DJAAMO COc1ccccc1[C@H](C)[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000154360660 563926785 /nfs/dbraw/zinc/92/67/85/563926785.db2.gz KENYGLRKZCNWJQ-IFXJQAMLSA-N 1 1 323.440 4.619 50 0 DJAAMO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1occc1Br ZINC000095967198 563932877 /nfs/dbraw/zinc/93/28/77/563932877.db2.gz NARUBECAUNHION-ABAIWWIYSA-N 1 1 320.230 4.844 50 0 DJAAMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000096003602 563934709 /nfs/dbraw/zinc/93/47/09/563934709.db2.gz KLOPWUFEJZPBKT-AWEZNQCLSA-N 1 1 315.486 4.779 50 0 DJAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000096003602 563934710 /nfs/dbraw/zinc/93/47/10/563934710.db2.gz KLOPWUFEJZPBKT-AWEZNQCLSA-N 1 1 315.486 4.779 50 0 DJAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000008268511 563947325 /nfs/dbraw/zinc/94/73/25/563947325.db2.gz XNDVYZLSBLVSLY-QGZVFWFLSA-N 1 1 308.450 4.942 50 0 DJAAMO CCCC[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1OC ZINC000002893773 568414278 /nfs/dbraw/zinc/41/42/78/568414278.db2.gz FNOCSTRDWWMKHP-UHFFFAOYSA-N 1 1 313.441 4.506 50 0 DJAAMO C[N@H+]1CCC[C@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000003683833 568417378 /nfs/dbraw/zinc/41/73/78/568417378.db2.gz CBHCDHNUZWWAPP-HNNXBMFYSA-N 1 1 310.466 4.631 50 0 biogenic,in-man DJAAMO