smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCCC2)o1 ZINC000015860469 210173790 /nfs/dbraw/zinc/17/37/90/210173790.db2.gz WXVKNZJWWYXSKR-QGZVFWFLSA-N 1 1 386.879 4.863 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@H+](Cc3ccccc3)CC3CC3)c(C)o2)cc1 ZINC000015074909 210150931 /nfs/dbraw/zinc/15/09/31/210150931.db2.gz BBMRSEGQZQKJKT-UHFFFAOYSA-N 1 1 390.483 4.849 50 0 GJAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCO)c(C)o2)c2ccccc12 ZINC000015061956 210144776 /nfs/dbraw/zinc/14/47/76/210144776.db2.gz ZPZGDAJNMUKMKH-QGZVFWFLSA-N 1 1 380.488 4.549 50 0 GJAAMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000014957924 210134682 /nfs/dbraw/zinc/13/46/82/210134682.db2.gz WRBVYIKZNGLSIP-UHFFFAOYSA-N 1 1 386.446 4.572 50 0 GJAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000014957924 210134684 /nfs/dbraw/zinc/13/46/84/210134684.db2.gz WRBVYIKZNGLSIP-UHFFFAOYSA-N 1 1 386.446 4.572 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000014019773 210099475 /nfs/dbraw/zinc/09/94/75/210099475.db2.gz TXSQYTSYKIGYDG-NRFANRHFSA-N 1 1 396.535 4.563 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000014019773 210099471 /nfs/dbraw/zinc/09/94/71/210099471.db2.gz TXSQYTSYKIGYDG-NRFANRHFSA-N 1 1 396.535 4.563 50 0 GJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2cccc(F)c2)c(OC)c1 ZINC000013786351 210090064 /nfs/dbraw/zinc/09/00/64/210090064.db2.gz FAACTDGNFHHGQS-GMKZXUHWSA-N 1 1 399.506 4.711 50 0 GJAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000013595097 210070468 /nfs/dbraw/zinc/07/04/68/210070468.db2.gz YMBIWIDPDSRBRJ-HXUWFJFHSA-N 1 1 391.490 4.630 50 0 GJAAMO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000013096811 210050692 /nfs/dbraw/zinc/05/06/92/210050692.db2.gz DUPBYVGQDLXOTE-FXUDXRNXSA-N 1 1 385.577 4.683 50 0 GJAAMO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000013096811 210050695 /nfs/dbraw/zinc/05/06/95/210050695.db2.gz DUPBYVGQDLXOTE-FXUDXRNXSA-N 1 1 385.577 4.683 50 0 GJAAMO Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000002302223 209356555 /nfs/dbraw/zinc/35/65/55/209356555.db2.gz YPSPMGPZNYUFJZ-PKTZIBPZSA-N 1 1 396.425 4.630 50 0 GJAAMO Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000002262569 209354062 /nfs/dbraw/zinc/35/40/62/209354062.db2.gz YMQXEQVZSOELPN-GOTSBHOMSA-N 1 1 396.425 4.630 50 0 GJAAMO CCCC[N@@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccccc1F ZINC000003665649 204018353 /nfs/dbraw/zinc/01/83/53/204018353.db2.gz IEOVJCIRKROCPR-UHFFFAOYSA-N 1 1 377.529 4.740 50 0 GJAAMO O=C(CSc1ccc2ccccc2c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000006589088 204186763 /nfs/dbraw/zinc/18/67/63/204186763.db2.gz FQNUFAOPDMZDGS-NRFANRHFSA-N 1 1 394.540 4.868 50 0 GJAAMO COc1cccc(C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c1OC ZINC000007017793 204231705 /nfs/dbraw/zinc/23/17/05/204231705.db2.gz BIGDCWOVSDPYOF-UHFFFAOYSA-N 1 1 390.483 4.588 50 0 GJAAMO COc1cccc(C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c1OC ZINC000007017793 204231708 /nfs/dbraw/zinc/23/17/08/204231708.db2.gz BIGDCWOVSDPYOF-UHFFFAOYSA-N 1 1 390.483 4.588 50 0 GJAAMO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000008310375 204271154 /nfs/dbraw/zinc/27/11/54/204271154.db2.gz LJPQJHDWFKDPTE-FQEVSTJZSA-N 1 1 394.515 4.549 50 0 GJAAMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000008310375 204271156 /nfs/dbraw/zinc/27/11/56/204271156.db2.gz LJPQJHDWFKDPTE-FQEVSTJZSA-N 1 1 394.515 4.549 50 0 GJAAMO Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000036104415 204306430 /nfs/dbraw/zinc/30/64/30/204306430.db2.gz FXWNNWBJKVRPLE-VWLOTQADSA-N 1 1 375.512 4.575 50 0 GJAAMO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cc(Cl)ccc1F ZINC000010140690 204332157 /nfs/dbraw/zinc/33/21/57/204332157.db2.gz GCPAEDFXAZAAGO-UHFFFAOYSA-N 1 1 385.870 4.779 50 0 GJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2C)C1 ZINC000009151110 204299622 /nfs/dbraw/zinc/29/96/22/204299622.db2.gz DINDNHURUGMXJJ-UHFFFAOYSA-N 1 1 394.544 4.547 50 0 GJAAMO Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000011753551 204352805 /nfs/dbraw/zinc/35/28/05/204352805.db2.gz AVRJCDQEFCLXRB-IBGZPJMESA-N 1 1 385.939 4.819 50 0 GJAAMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)CC(C)C)C3)c(C)o2)cc1 ZINC000011773743 204353088 /nfs/dbraw/zinc/35/30/88/204353088.db2.gz BMTBVPMPNYZZID-IBGZPJMESA-N 1 1 384.520 4.876 50 0 GJAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)CC(C)C)C3)c(C)o2)cc1 ZINC000011773743 204353092 /nfs/dbraw/zinc/35/30/92/204353092.db2.gz BMTBVPMPNYZZID-IBGZPJMESA-N 1 1 384.520 4.876 50 0 GJAAMO Cn1c(C[N@H+](C)C[C@H]2CC=CCC2)nnc1SCc1ccccc1Cl ZINC000011908836 204361460 /nfs/dbraw/zinc/36/14/60/204361460.db2.gz GWSQNOKGUAGXHA-HNNXBMFYSA-N 1 1 376.957 4.549 50 0 GJAAMO Cn1c(C[N@@H+](C)C[C@H]2CC=CCC2)nnc1SCc1ccccc1Cl ZINC000011908836 204361463 /nfs/dbraw/zinc/36/14/63/204361463.db2.gz GWSQNOKGUAGXHA-HNNXBMFYSA-N 1 1 376.957 4.549 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)cc1 ZINC000012029280 204367013 /nfs/dbraw/zinc/36/70/13/204367013.db2.gz MPKPDTJMTWRHFJ-JOCHJYFZSA-N 1 1 376.456 4.558 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)cc1 ZINC000012029280 204367017 /nfs/dbraw/zinc/36/70/17/204367017.db2.gz MPKPDTJMTWRHFJ-JOCHJYFZSA-N 1 1 376.456 4.558 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1)N1CCCC1 ZINC000012195030 204381315 /nfs/dbraw/zinc/38/13/15/204381315.db2.gz ZKWVHUDJPUOCQD-OAQYLSRUSA-N 1 1 376.544 4.968 50 0 GJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c(C)nn(C(C)C)c3C)C2)cc1 ZINC000012301600 204391329 /nfs/dbraw/zinc/39/13/29/204391329.db2.gz IOCAABZTXJMNBJ-LJQANCHMSA-N 1 1 385.577 4.898 50 0 GJAAMO CCCC[C@@H]1C[N@H+](Cc2ccc(Sc3nncn3C)o2)Cc2ccccc2O1 ZINC000012327456 204398791 /nfs/dbraw/zinc/39/87/91/204398791.db2.gz RJHOQFTVYAZRKM-QGZVFWFLSA-N 1 1 398.532 4.513 50 0 GJAAMO CCCC[C@@H]1C[N@@H+](Cc2ccc(Sc3nncn3C)o2)Cc2ccccc2O1 ZINC000012327456 204398796 /nfs/dbraw/zinc/39/87/96/204398796.db2.gz RJHOQFTVYAZRKM-QGZVFWFLSA-N 1 1 398.532 4.513 50 0 GJAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000032809648 204921563 /nfs/dbraw/zinc/92/15/63/204921563.db2.gz HGBKUYGVEZTTKY-UHFFFAOYSA-N 1 1 389.430 4.569 50 0 GJAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C)s2)Cc2ccccc2)cc1 ZINC000036101154 205005518 /nfs/dbraw/zinc/00/55/18/205005518.db2.gz KXRSCPUZRJTFHS-HXUWFJFHSA-N 1 1 397.540 4.507 50 0 GJAAMO Cc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CCCCCC2)OCO4)cc1 ZINC000036102755 205005720 /nfs/dbraw/zinc/00/57/20/205005720.db2.gz NNRGVMHWZBBXKN-UHFFFAOYSA-N 1 1 388.467 4.883 50 0 GJAAMO Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036104691 205006267 /nfs/dbraw/zinc/00/62/67/205006267.db2.gz NFYHCACXMFSEFZ-XMMPIXPASA-N 1 1 393.502 4.885 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000036304817 205010531 /nfs/dbraw/zinc/01/05/31/205010531.db2.gz RIDOHXIURWHTOF-SFHVURJKSA-N 1 1 391.515 4.627 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](C)O)C1CC1 ZINC000036304817 205010536 /nfs/dbraw/zinc/01/05/36/205010536.db2.gz RIDOHXIURWHTOF-SFHVURJKSA-N 1 1 391.515 4.627 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)C(C)C)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340989 205011002 /nfs/dbraw/zinc/01/10/02/205011002.db2.gz ATRIQJWBFRBMBZ-JOCHJYFZSA-N 1 1 397.950 4.975 50 0 GJAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301571 205011243 /nfs/dbraw/zinc/01/12/43/205011243.db2.gz XBHMDFIMTGLSNX-HXUWFJFHSA-N 1 1 393.531 4.861 50 0 GJAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000036343710 205011310 /nfs/dbraw/zinc/01/13/10/205011310.db2.gz PYVXFPRHCNHSPN-OAQYLSRUSA-N 1 1 381.907 4.504 50 0 GJAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344621 205011459 /nfs/dbraw/zinc/01/14/59/205011459.db2.gz OMNPQKCFXINMLC-XMMPIXPASA-N 1 1 389.543 4.775 50 0 GJAAMO COc1cc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc(OC)c1 ZINC000036348224 205012212 /nfs/dbraw/zinc/01/22/12/205012212.db2.gz HZQCFHANUSCSRI-HSZRJFAPSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc(OC)c1 ZINC000036348224 205012216 /nfs/dbraw/zinc/01/22/16/205012216.db2.gz HZQCFHANUSCSRI-HSZRJFAPSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)cc1O ZINC000037522290 205027458 /nfs/dbraw/zinc/02/74/58/205027458.db2.gz UGFWBHZXNMTAMG-DEOSSOPVSA-N 1 1 376.500 4.814 50 0 GJAAMO FC(F)(F)c1ccc2nnc(C[NH2+]Cc3ccc(-c4ccccc4)cc3)n2c1 ZINC000053150020 205135748 /nfs/dbraw/zinc/13/57/48/205135748.db2.gz HSCCFCREYWQHDY-UHFFFAOYSA-N 1 1 382.389 4.705 50 0 GJAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000055183087 205144900 /nfs/dbraw/zinc/14/49/00/205144900.db2.gz OLGYMRUNUSMBEB-MRXNPFEDSA-N 1 1 399.947 4.991 50 0 GJAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000055183087 205144905 /nfs/dbraw/zinc/14/49/05/205144905.db2.gz OLGYMRUNUSMBEB-MRXNPFEDSA-N 1 1 399.947 4.991 50 0 GJAAMO Cc1ccc2c(C[N@@H+](C)Cc3ccc(Br)cc3)cc(=O)oc2c1C ZINC000057303466 205154367 /nfs/dbraw/zinc/15/43/67/205154367.db2.gz OPKOHGFCTANWSS-UHFFFAOYSA-N 1 1 386.289 4.804 50 0 GJAAMO C[C@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cc(F)ccc1F ZINC000057452025 205157566 /nfs/dbraw/zinc/15/75/66/205157566.db2.gz GZIVWNPYFBUNDP-BUXKBTBVSA-N 1 1 390.430 4.872 50 0 GJAAMO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000057872563 205160757 /nfs/dbraw/zinc/16/07/57/205160757.db2.gz NQIZCALCSRWMLV-UHFFFAOYSA-N 1 1 383.879 4.608 50 0 GJAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)c2ccccc2)cc1 ZINC000058160449 205166064 /nfs/dbraw/zinc/16/60/64/205166064.db2.gz QMVGOEGCICYEAD-QFIPXVFZSA-N 1 1 398.865 4.805 50 0 GJAAMO Cc1nn(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 ZINC000058158630 205166456 /nfs/dbraw/zinc/16/64/56/205166456.db2.gz JINBCXCBFAXMHI-QFIPXVFZSA-N 1 1 392.572 4.826 50 0 GJAAMO Cc1nn(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 ZINC000058158630 205166458 /nfs/dbraw/zinc/16/64/58/205166458.db2.gz JINBCXCBFAXMHI-QFIPXVFZSA-N 1 1 392.572 4.826 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cccc(C)c3)cc2)cc(C)[nH+]1 ZINC000064801262 205195516 /nfs/dbraw/zinc/19/55/16/205195516.db2.gz GUSAXMKXZWKHSS-UHFFFAOYSA-N 1 1 376.464 4.913 50 0 GJAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000071816974 205298867 /nfs/dbraw/zinc/29/88/67/205298867.db2.gz HRYRWWJFGBLQSP-NRFANRHFSA-N 1 1 381.907 4.990 50 0 GJAAMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000071816974 205298872 /nfs/dbraw/zinc/29/88/72/205298872.db2.gz HRYRWWJFGBLQSP-NRFANRHFSA-N 1 1 381.907 4.990 50 0 GJAAMO COC[C@@H]1CC[N@@H+](Cc2cc3ccc(OC)cc3nc2-c2cccc(C)c2)C1 ZINC000072435528 205351432 /nfs/dbraw/zinc/35/14/32/205351432.db2.gz ODPFVPUWKDWDKJ-GOSISDBHSA-N 1 1 376.500 4.687 50 0 GJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@@H](OC)C2)cc1 ZINC000072407266 205344812 /nfs/dbraw/zinc/34/48/12/205344812.db2.gz RGHFPOIXVQMGBH-JOCHJYFZSA-N 1 1 376.500 4.830 50 0 GJAAMO CCC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)[C@H]1CCc2ccccc2C1 ZINC000079108049 205382568 /nfs/dbraw/zinc/38/25/68/205382568.db2.gz QPYISZXGSBBPDB-QFIPXVFZSA-N 1 1 375.516 4.738 50 0 GJAAMO FC(F)(F)c1ccnn1[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000095995423 211293402 /nfs/dbraw/zinc/29/34/02/211293402.db2.gz SIHYUGVMFFXCFN-OAHLLOKOSA-N 1 1 392.450 4.863 50 0 GJAAMO FC(F)(F)c1ccnn1[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000095995423 211293404 /nfs/dbraw/zinc/29/34/04/211293404.db2.gz SIHYUGVMFFXCFN-OAHLLOKOSA-N 1 1 392.450 4.863 50 0 GJAAMO CCOc1c(OC)cc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000095997186 211292419 /nfs/dbraw/zinc/29/24/19/211292419.db2.gz RMWOMXGNQNQQKG-UHFFFAOYSA-N 1 1 392.499 4.873 50 0 GJAAMO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951876 211285593 /nfs/dbraw/zinc/28/55/93/211285593.db2.gz XCECVQGRQPERES-VQTJNVASSA-N 1 1 389.282 4.739 50 0 GJAAMO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951876 211285599 /nfs/dbraw/zinc/28/55/99/211285599.db2.gz XCECVQGRQPERES-VQTJNVASSA-N 1 1 389.282 4.739 50 0 GJAAMO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nc(-c5ccsc5)no4)CC3)c2c1 ZINC000095351780 211221177 /nfs/dbraw/zinc/22/11/77/211221177.db2.gz NBAYQMFXVVLDHN-UHFFFAOYSA-N 1 1 392.484 4.577 50 0 GJAAMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nc(-c5ccsc5)no4)CC3)c2c1 ZINC000095351780 211221180 /nfs/dbraw/zinc/22/11/80/211221180.db2.gz NBAYQMFXVVLDHN-UHFFFAOYSA-N 1 1 392.484 4.577 50 0 GJAAMO O[C@@H]1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 ZINC000072422172 211115642 /nfs/dbraw/zinc/11/56/42/211115642.db2.gz USMVZCBUXUTKJN-OAQYLSRUSA-N 1 1 378.903 4.611 50 0 GJAAMO Fc1ccc(CC[C@@H]2CCC[N@H+](C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000071614306 211050728 /nfs/dbraw/zinc/05/07/28/211050728.db2.gz PFZLRLXPHSFXHE-NRFANRHFSA-N 1 1 381.539 4.530 50 0 GJAAMO COc1cc(C[N@H+]2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)ccc1O ZINC000020911399 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GJAAMO CSCC[C@@H](C)[N@@H+](C)CCCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000072290439 570483406 /nfs/dbraw/zinc/48/34/06/570483406.db2.gz CPANTDLUAIMDRA-CYBMUJFWSA-N 1 1 387.471 4.761 50 0 GJAAMO c1csc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c1 ZINC000002707207 570506192 /nfs/dbraw/zinc/50/61/92/570506192.db2.gz HCIYGSKPFCTAAW-NHCUHLMSSA-N 1 1 384.464 4.552 50 0 GJAAMO CC(C)CNC(=O)c1coc(C[N@H+](Cc2ccc(Cl)cc2)[C@@H](C)C(C)C)n1 ZINC000036069050 570526770 /nfs/dbraw/zinc/52/67/70/570526770.db2.gz PGFVGSIHYIRJEA-INIZCTEOSA-N 1 1 391.943 4.761 50 0 GJAAMO CC(C)CNC(=O)c1coc(C[N@@H+](Cc2ccc(Cl)cc2)[C@@H](C)C(C)C)n1 ZINC000036069050 570526771 /nfs/dbraw/zinc/52/67/71/570526771.db2.gz PGFVGSIHYIRJEA-INIZCTEOSA-N 1 1 391.943 4.761 50 0 GJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2cccc(F)c2)c(OC)c1 ZINC000005253053 570529619 /nfs/dbraw/zinc/52/96/19/570529619.db2.gz FAACTDGNFHHGQS-JRFVFWCSSA-N 1 1 399.506 4.711 50 0 GJAAMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 ZINC000072309874 570537278 /nfs/dbraw/zinc/53/72/78/570537278.db2.gz VUTCHZGSTGOVFS-QGZVFWFLSA-N 1 1 385.483 4.814 50 0 GJAAMO Cc1ccccc1[C@@H](CC(=O)NCc1ccccc1)c1c[nH+]c2n1[C@@H](C)CCC2 ZINC000034920144 570547671 /nfs/dbraw/zinc/54/76/71/570547671.db2.gz JUTOGSUCPDTFSX-SIKLNZKXSA-N 1 1 387.527 4.927 50 0 GJAAMO CC[C@@H]1CCc2sc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2C1 ZINC000032967221 570550557 /nfs/dbraw/zinc/55/05/57/570550557.db2.gz YNNKVBHIFRNEHZ-SJLPKXTDSA-N 1 1 386.561 4.813 50 0 GJAAMO O=C1N[C@@H](c2ccccc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000006732675 570557833 /nfs/dbraw/zinc/55/78/33/570557833.db2.gz XGNBUMIYSJJQQO-HXUWFJFHSA-N 1 1 375.497 4.735 50 0 GJAAMO O=C1N[C@@H](c2ccccc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000006732675 570557839 /nfs/dbraw/zinc/55/78/39/570557839.db2.gz XGNBUMIYSJJQQO-HXUWFJFHSA-N 1 1 375.497 4.735 50 0 GJAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@H+]1CCN(c2ccccc2)C[C@H]1C ZINC000015064314 570562286 /nfs/dbraw/zinc/56/22/86/570562286.db2.gz SLQLHSGZLAVRNB-OAHLLOKOSA-N 1 1 383.442 4.639 50 0 GJAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@@H+]1CCN(c2ccccc2)C[C@H]1C ZINC000015064314 570562287 /nfs/dbraw/zinc/56/22/87/570562287.db2.gz SLQLHSGZLAVRNB-OAHLLOKOSA-N 1 1 383.442 4.639 50 0 GJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](CNC(=O)c3cccnc3)C2)c1 ZINC000011712177 570580421 /nfs/dbraw/zinc/58/04/21/570580421.db2.gz GBJKUOQXEBKSJG-JOCHJYFZSA-N 1 1 399.538 4.699 50 0 GJAAMO CC[N@H+](Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C)Cc1ccccc1 ZINC000011879990 570591203 /nfs/dbraw/zinc/59/12/03/570591203.db2.gz MPXGWJWHTARJBD-UHFFFAOYSA-N 1 1 380.488 4.998 50 0 GJAAMO CC[N@@H+](Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C)Cc1ccccc1 ZINC000011879990 570591207 /nfs/dbraw/zinc/59/12/07/570591207.db2.gz MPXGWJWHTARJBD-UHFFFAOYSA-N 1 1 380.488 4.998 50 0 GJAAMO Brc1cccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769773 570594049 /nfs/dbraw/zinc/59/40/49/570594049.db2.gz HEGRQVZYUPRVKO-UXHICEINSA-N 1 1 377.370 4.678 50 0 GJAAMO Cc1ccccc1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCC[N@@H+]13 ZINC000012072677 570604129 /nfs/dbraw/zinc/60/41/29/570604129.db2.gz WPQXWJGOIBVHAZ-HARLFGEKSA-N 1 1 380.919 4.586 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](C)O)C(C)C ZINC000036341999 570626064 /nfs/dbraw/zinc/62/60/64/570626064.db2.gz DNIGMSTYEPUJIP-KRWDZBQOSA-N 1 1 397.494 4.703 50 0 GJAAMO Clc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc3c(c2)OCCO3)c1 ZINC000036347508 570629158 /nfs/dbraw/zinc/62/91/58/570629158.db2.gz HDJPLNUXSXWDJY-HSZRJFAPSA-N 1 1 394.902 4.908 50 0 GJAAMO Clc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)c1 ZINC000036347508 570629161 /nfs/dbraw/zinc/62/91/61/570629161.db2.gz HDJPLNUXSXWDJY-HSZRJFAPSA-N 1 1 394.902 4.908 50 0 GJAAMO CSCCC[N@H+]1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012299966 570635370 /nfs/dbraw/zinc/63/53/70/570635370.db2.gz XKNVNMPUVOGMHR-HNNXBMFYSA-N 1 1 388.499 4.889 50 0 GJAAMO Cc1ccc(-c2nc(C[NH+]3CCC(OCc4ccccn4)CC3)c(C)o2)s1 ZINC000012319204 570642418 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570709663 /nfs/dbraw/zinc/70/96/63/570709663.db2.gz RPUHZNJOQOYYOR-UHFFFAOYSA-N 1 1 387.483 4.551 50 0 GJAAMO O=c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000036447033 570712136 /nfs/dbraw/zinc/71/21/36/570712136.db2.gz RKHJKQOCOWWYKD-HOCLYGCPSA-N 1 1 397.519 4.803 50 0 GJAAMO O=c1nc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000036447033 570712137 /nfs/dbraw/zinc/71/21/37/570712137.db2.gz RKHJKQOCOWWYKD-HOCLYGCPSA-N 1 1 397.519 4.803 50 0 GJAAMO C[C@@H]([NH2+]Cc1ccccc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000058160539 570712988 /nfs/dbraw/zinc/71/29/88/570712988.db2.gz ICKLUSBKSYFWTG-SECBINFHSA-N 1 1 375.658 4.903 50 0 GJAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000058167947 570714455 /nfs/dbraw/zinc/71/44/55/570714455.db2.gz UCAMZGYOHDGDOK-IBGZPJMESA-N 1 1 387.911 4.564 50 0 GJAAMO COc1ccc(F)c(F)c1-c1c(-c2ccccc2)ncn1CC[C@H]1CCC[N@H+]1C ZINC000065383757 570763603 /nfs/dbraw/zinc/76/36/03/570763603.db2.gz 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COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)cc1 ZINC000015067490 570876232 /nfs/dbraw/zinc/87/62/32/570876232.db2.gz XZOTYEVUNRGBAA-NRFANRHFSA-N 1 1 389.499 4.551 50 0 GJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000009909453 570886840 /nfs/dbraw/zinc/88/68/40/570886840.db2.gz PIQOXBTWMUFDDZ-KRWDZBQOSA-N 1 1 384.863 4.760 50 0 GJAAMO O=c1[nH]c(SCc2cccc(Cl)c2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000033287240 570955361 /nfs/dbraw/zinc/95/53/61/570955361.db2.gz ZYOMWARSHDKRRO-UHFFFAOYSA-N 1 1 397.931 4.686 50 0 GJAAMO O=c1[nH]c(SCc2cccc(Cl)c2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000033287240 570955365 /nfs/dbraw/zinc/95/53/65/570955365.db2.gz ZYOMWARSHDKRRO-UHFFFAOYSA-N 1 1 397.931 4.686 50 0 GJAAMO Cc1ncsc1C(=O)OC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000107149353 570971424 /nfs/dbraw/zinc/97/14/24/570971424.db2.gz IOQIRLHHICHWAN-HOCLYGCPSA-N 1 1 398.450 4.710 50 0 GJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000012736707 570979401 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CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862355 210175584 /nfs/dbraw/zinc/17/55/84/210175584.db2.gz FYCXWXDGKKCPIM-UHFFFAOYSA-N 1 1 378.516 4.956 50 0 GJAAMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000426677479 530052635 /nfs/dbraw/zinc/05/26/35/530052635.db2.gz NFHNZBULORZQIQ-QGZVFWFLSA-N 1 1 376.422 4.587 50 0 GJAAMO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)ccc1F ZINC000015003287 210142924 /nfs/dbraw/zinc/14/29/24/210142924.db2.gz HAOOTSPRPSNEAH-KRWDZBQOSA-N 1 1 383.442 4.743 50 0 GJAAMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000015004414 210142861 /nfs/dbraw/zinc/14/28/61/210142861.db2.gz AJJRNHQGIVTPMV-LJQANCHMSA-N 1 1 396.535 4.626 50 0 GJAAMO C[C@@H](O)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000001447604 209329595 /nfs/dbraw/zinc/32/95/95/209329595.db2.gz IZPSLLVYTVDJFL-CQSZACIVSA-N 1 1 378.863 4.534 50 0 GJAAMO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000239302879 209212379 /nfs/dbraw/zinc/21/23/79/209212379.db2.gz FTGMSKYZJVDEFA-BPHHYWDRSA-N 1 1 389.514 5.714 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000004556428 204053040 /nfs/dbraw/zinc/05/30/40/204053040.db2.gz CVCJOGBMGGUPHA-IBGZPJMESA-N 1 1 397.475 4.954 50 0 GJAAMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c(Br)c1 ZINC000008127514 204261734 /nfs/dbraw/zinc/26/17/34/204261734.db2.gz CWMFCMDZCATLCD-UHFFFAOYSA-N 1 1 397.316 4.981 50 0 GJAAMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c(Br)c1 ZINC000008127514 204261738 /nfs/dbraw/zinc/26/17/38/204261738.db2.gz CWMFCMDZCATLCD-UHFFFAOYSA-N 1 1 397.316 4.981 50 0 GJAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)[NH+](C)C ZINC000008088755 204261788 /nfs/dbraw/zinc/26/17/88/204261788.db2.gz TXJMKRLJJPPEPC-QFIPXVFZSA-N 1 1 390.483 4.520 50 0 GJAAMO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)cs2)cc1 ZINC000008266887 204267749 /nfs/dbraw/zinc/26/77/49/204267749.db2.gz YADUZOYLRIBXLG-QZTJIDSGSA-N 1 1 383.561 4.645 50 0 GJAAMO C[C@H](C(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008249197 204268454 /nfs/dbraw/zinc/26/84/54/204268454.db2.gz WFWCYMXIJRHOSZ-CABCVRRESA-N 1 1 383.492 4.642 50 0 GJAAMO C[C@H](C(=O)Nc1ccccc1F)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008249197 204268457 /nfs/dbraw/zinc/26/84/57/204268457.db2.gz WFWCYMXIJRHOSZ-CABCVRRESA-N 1 1 383.492 4.642 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2Br)cc1OC ZINC000036395395 204319959 /nfs/dbraw/zinc/31/99/59/204319959.db2.gz JVWHEMSUSMWEIA-KRWDZBQOSA-N 1 1 376.294 4.803 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2Br)cc1OC ZINC000036395395 204319964 /nfs/dbraw/zinc/31/99/64/204319964.db2.gz JVWHEMSUSMWEIA-KRWDZBQOSA-N 1 1 376.294 4.803 50 0 GJAAMO O[C@@H](CN1c2ccccc2Sc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000009970619 204328102 /nfs/dbraw/zinc/32/81/02/204328102.db2.gz PNPBTSJNYCVQSK-HXUWFJFHSA-N 1 1 388.536 4.709 50 0 GJAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1F ZINC000012558926 204423771 /nfs/dbraw/zinc/42/37/71/204423771.db2.gz WDCZOWVAAXTWSE-AWEZNQCLSA-N 1 1 375.875 4.909 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)cc1 ZINC000036101946 205005922 /nfs/dbraw/zinc/00/59/22/205005922.db2.gz WTENGAAJTIKZKN-QHCPKHFHSA-N 1 1 379.475 4.576 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)s1 ZINC000036101519 205005932 /nfs/dbraw/zinc/00/59/32/205005932.db2.gz NQJQYYASDSNQNU-QFIPXVFZSA-N 1 1 399.531 4.776 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)c(C)c1 ZINC000036098990 205006431 /nfs/dbraw/zinc/00/64/31/205006431.db2.gz YPZUTMNWVNQUPU-HSZRJFAPSA-N 1 1 397.490 4.615 50 0 GJAAMO Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036104661 205006504 /nfs/dbraw/zinc/00/65/04/205006504.db2.gz NNTVHWGQBBBVGO-HSZRJFAPSA-N 1 1 379.475 4.576 50 0 GJAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000040002697 205046000 /nfs/dbraw/zinc/04/60/00/205046000.db2.gz KSNFWTKPVMMJEF-ZDUSSCGKSA-N 1 1 375.831 4.601 50 0 GJAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000040002697 205046004 /nfs/dbraw/zinc/04/60/04/205046004.db2.gz KSNFWTKPVMMJEF-ZDUSSCGKSA-N 1 1 375.831 4.601 50 0 GJAAMO Cn1ccnc1COc1ccc(C[N@H+](C)Cc2cccc(Cl)c2Cl)cc1 ZINC000040135428 205056410 /nfs/dbraw/zinc/05/64/10/205056410.db2.gz TYHOCIZSWQNIMC-UHFFFAOYSA-N 1 1 390.314 4.938 50 0 GJAAMO Cn1ccnc1COc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2Cl)cc1 ZINC000040135428 205056413 /nfs/dbraw/zinc/05/64/13/205056413.db2.gz TYHOCIZSWQNIMC-UHFFFAOYSA-N 1 1 390.314 4.938 50 0 GJAAMO c1cc(C[N@@H+](Cc2cccc(Oc3ncccn3)c2)C[C@@H]2CCCO2)cs1 ZINC000055133852 205143780 /nfs/dbraw/zinc/14/37/80/205143780.db2.gz SMUWVLLSMLXXJI-FQEVSTJZSA-N 1 1 381.501 4.512 50 0 GJAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cc(F)ccc1F ZINC000057452030 205157682 /nfs/dbraw/zinc/15/76/82/205157682.db2.gz GZIVWNPYFBUNDP-CWTRNNRKSA-N 1 1 390.430 4.872 50 0 GJAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000064590850 205192701 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GJAAMO FC(F)(F)c1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000089834947 211186040 /nfs/dbraw/zinc/18/60/40/211186040.db2.gz DOGLFIISUWVYEI-UHFFFAOYSA-N 1 1 385.433 4.966 50 0 GJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000072420495 211115984 /nfs/dbraw/zinc/11/59/84/211115984.db2.gz UNOOLNZTWGJRAE-UHFFFAOYSA-N 1 1 386.499 4.882 50 0 GJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)Cc2cc(C)n[nH]2)cc1 ZINC000072420495 211115986 /nfs/dbraw/zinc/11/59/86/211115986.db2.gz UNOOLNZTWGJRAE-UHFFFAOYSA-N 1 1 386.499 4.882 50 0 GJAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+](C)Cc1cc[nH]n1 ZINC000072426760 211118598 /nfs/dbraw/zinc/11/85/98/211118598.db2.gz CLPFYLOXDLJJET-UHFFFAOYSA-N 1 1 392.890 4.919 50 0 GJAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000072426760 211118602 /nfs/dbraw/zinc/11/86/02/211118602.db2.gz CLPFYLOXDLJJET-UHFFFAOYSA-N 1 1 392.890 4.919 50 0 GJAAMO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](CCc1ccccn1)C2 ZINC000067694857 211016832 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387.458 4.745 50 0 GJAAMO COc1cccc(OC)c1C[N@@H+]1CCC[C@H](C(=O)c2ccccc2SC)C1 ZINC000011933507 221137397 /nfs/dbraw/zinc/13/73/97/221137397.db2.gz VUPZYWWTUXURLT-INIZCTEOSA-N 1 1 385.529 4.521 50 0 GJAAMO COc1cccc(OC)c1C[N@H+]1CCC[C@H](C(=O)c2ccccc2SC)C1 ZINC000011933507 221137399 /nfs/dbraw/zinc/13/73/99/221137399.db2.gz VUPZYWWTUXURLT-INIZCTEOSA-N 1 1 385.529 4.521 50 0 GJAAMO CN(Cc1ccco1)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012715327 221221721 /nfs/dbraw/zinc/22/17/21/221221721.db2.gz YROHGKAOEWGSDX-SFHVURJKSA-N 1 1 380.454 4.685 50 0 GJAAMO Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1 ZINC000095450132 136179089 /nfs/dbraw/zinc/17/90/89/136179089.db2.gz PYYKBQWHDVSDQF-AWEZNQCLSA-N 1 1 379.335 4.933 50 0 GJAAMO Cc1ccc(/C=C/C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019828052 570223134 /nfs/dbraw/zinc/22/31/34/570223134.db2.gz SEOTUMPKDVMMPB-WUKNDPDISA-N 1 1 396.534 4.942 50 0 GJAAMO O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 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380.879 4.748 50 0 GJAAMO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000012854012 570267102 /nfs/dbraw/zinc/26/71/02/570267102.db2.gz SUDZVTPCNBAXPS-AWEZNQCLSA-N 1 1 393.487 4.984 50 0 GJAAMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000012854012 570267107 /nfs/dbraw/zinc/26/71/07/570267107.db2.gz SUDZVTPCNBAXPS-AWEZNQCLSA-N 1 1 393.487 4.984 50 0 GJAAMO CN(Cc1c[nH]nc1-c1cccc2ccccc21)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020599043 570269721 /nfs/dbraw/zinc/26/97/21/570269721.db2.gz MWQFYPBGKBPPTM-UHFFFAOYSA-N 1 1 376.548 4.971 50 0 GJAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000020601158 570269971 /nfs/dbraw/zinc/26/99/71/570269971.db2.gz RFTXOBFYUXYLMM-GOSISDBHSA-N 1 1 391.540 4.894 50 0 GJAAMO Oc1cccc(CC[C@@H]2CCCC[N@H+]2Cc2ccc(Cn3cccn3)cc2)c1 ZINC000215270044 570286735 /nfs/dbraw/zinc/28/67/35/570286735.db2.gz FWUDKOLIGNJLDU-QHCPKHFHSA-N 1 1 375.516 4.624 50 0 GJAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2)cc1 ZINC000012920920 570294901 /nfs/dbraw/zinc/29/49/01/570294901.db2.gz BWWCGMCKRBVLEJ-VWLOTQADSA-N 1 1 386.495 4.502 50 0 GJAAMO Cc1ccc([C@H]2C[N@H+](Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)cc1 ZINC000034740413 570327224 /nfs/dbraw/zinc/32/72/24/570327224.db2.gz TZNFWXYOBBKSAO-ISKFKSNPSA-N 1 1 396.575 4.944 50 0 GJAAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740816 570327736 /nfs/dbraw/zinc/32/77/36/570327736.db2.gz NGBKUSFYRHTSBD-DENIHFKCSA-N 1 1 386.511 4.527 50 0 GJAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)o1 ZINC000007590712 570339061 /nfs/dbraw/zinc/33/90/61/570339061.db2.gz GHEZEQSOIUMALB-SJLPKXTDSA-N 1 1 378.476 4.712 50 0 GJAAMO Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)c2c1 ZINC000023078628 570343062 /nfs/dbraw/zinc/34/30/62/570343062.db2.gz YDGUHWFTEOWKLP-HSZRJFAPSA-N 1 1 399.494 4.836 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H](c4ccccc4F)C3)c(C)o2)cc1 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BWCJQSQEVVAHMC-QGZVFWFLSA-N 1 1 389.499 4.683 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006455034 570426044 /nfs/dbraw/zinc/42/60/44/570426044.db2.gz QMKMVZFOTCWUDB-LOTWAOFLSA-N 1 1 383.576 4.769 50 0 GJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000242339207 570432409 /nfs/dbraw/zinc/43/24/09/570432409.db2.gz ZFXHABJSDFWQQE-DNVCBOLYSA-N 1 1 392.396 4.601 50 0 GJAAMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000248086009 570439150 /nfs/dbraw/zinc/43/91/50/570439150.db2.gz DOHSKNGACPBCAY-PBHICJAKSA-N 1 1 385.558 4.542 50 0 GJAAMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000248086009 570439151 /nfs/dbraw/zinc/43/91/51/570439151.db2.gz DOHSKNGACPBCAY-PBHICJAKSA-N 1 1 385.558 4.542 50 0 GJAAMO O=C(/C=C\c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012375791 570444581 /nfs/dbraw/zinc/44/45/81/570444581.db2.gz QIRBBJRUUTUFMY-MSUUIHNZSA-N 1 1 382.507 4.634 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2)cc1 ZINC000036101948 570538852 /nfs/dbraw/zinc/53/88/52/570538852.db2.gz WTENGAAJTIKZKN-HSZRJFAPSA-N 1 1 379.475 4.576 50 0 GJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3C)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800808 570547528 /nfs/dbraw/zinc/54/75/28/570547528.db2.gz GPXKWWFMZFXJMN-UHFFFAOYSA-N 1 1 387.487 4.690 50 0 GJAAMO C[C@H]1CCCc2[nH+]cc([C@@H](CC(=O)NCc3ccccc3)c3cccc(F)c3)n21 ZINC000034919979 570547700 /nfs/dbraw/zinc/54/77/00/570547700.db2.gz WJYWHNYVKSTYJY-UWJYYQICSA-N 1 1 391.490 4.758 50 0 GJAAMO CCOc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511276 570554186 /nfs/dbraw/zinc/55/41/86/570554186.db2.gz FHRTXJWMADENDN-FQEVSTJZSA-N 1 1 380.492 4.924 50 0 GJAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000011667816 570579322 /nfs/dbraw/zinc/57/93/22/570579322.db2.gz LTCMWJFACHABQC-FQEVSTJZSA-N 1 1 397.906 4.880 50 0 GJAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000011667816 570579325 /nfs/dbraw/zinc/57/93/25/570579325.db2.gz LTCMWJFACHABQC-FQEVSTJZSA-N 1 1 397.906 4.880 50 0 GJAAMO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000012200361 570624552 /nfs/dbraw/zinc/62/45/52/570624552.db2.gz UGMLEHRJPAOUII-KRWDZBQOSA-N 1 1 376.447 4.709 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344598 570627237 /nfs/dbraw/zinc/62/72/37/570627237.db2.gz SXTNREXCYMOCPV-DEOSSOPVSA-N 1 1 389.543 4.775 50 0 GJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036346065 570628101 /nfs/dbraw/zinc/62/81/01/570628101.db2.gz ZNSVPZYJNIYXCR-QGZVFWFLSA-N 1 1 397.494 4.705 50 0 GJAAMO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1 ZINC000012307047 570639321 /nfs/dbraw/zinc/63/93/21/570639321.db2.gz YZSCVGMHSCGXIL-GOSISDBHSA-N 1 1 379.891 4.621 50 0 GJAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012430217 570658473 /nfs/dbraw/zinc/65/84/73/570658473.db2.gz KYWABKLWYJKWNO-UHFFFAOYSA-N 1 1 391.563 4.890 50 0 GJAAMO Cc1ccsc1C[N@H+]1CCOc2ccc([C@@H](O)Cc3ccccc3)cc2C1 ZINC000055153254 570685266 /nfs/dbraw/zinc/68/52/66/570685266.db2.gz QPCCJETUSPUCGK-NRFANRHFSA-N 1 1 379.525 4.727 50 0 GJAAMO CC(C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000055526921 570696330 /nfs/dbraw/zinc/69/63/30/570696330.db2.gz WLVWPQCDKPDCOG-UHFFFAOYSA-N 1 1 385.939 4.647 50 0 GJAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000012718831 570705839 /nfs/dbraw/zinc/70/58/39/570705839.db2.gz AGICHMRLBCTVTQ-GOSISDBHSA-N 1 1 394.902 4.992 50 0 GJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc1OC ZINC000006922838 570706957 /nfs/dbraw/zinc/70/69/57/570706957.db2.gz QZYSXKPKTXYODP-IEZKXTBUSA-N 1 1 395.543 4.881 50 0 biogenic GJAAMO COc1cc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)c(Cl)cc1O ZINC000012760694 570710736 /nfs/dbraw/zinc/71/07/36/570710736.db2.gz WUHQSRGZTJGPOX-GFCCVEGCSA-N 1 1 389.858 4.538 50 0 GJAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000006380985 570724557 /nfs/dbraw/zinc/72/45/57/570724557.db2.gz XOZQFEQVRDICDF-JIAPAWFRSA-N 1 1 393.527 4.782 50 0 GJAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000007002999 570737854 /nfs/dbraw/zinc/73/78/54/570737854.db2.gz MIJCTSUAEDIICQ-HNNXBMFYSA-N 1 1 387.911 4.778 50 0 GJAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C1 ZINC000012993742 570739029 /nfs/dbraw/zinc/73/90/29/570739029.db2.gz OFRZDRWCBQOBAF-TXEJJXNPSA-N 1 1 381.904 4.666 50 0 GJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C1 ZINC000012993742 570739033 /nfs/dbraw/zinc/73/90/33/570739033.db2.gz OFRZDRWCBQOBAF-TXEJJXNPSA-N 1 1 381.904 4.666 50 0 GJAAMO c1nc(-c2ccccc2)c(-c2cccnc2)n1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000065436262 570769113 /nfs/dbraw/zinc/76/91/13/570769113.db2.gz DISZDWNYTBSKGY-HSZRJFAPSA-N 1 1 395.510 4.844 50 0 GJAAMO Clc1ccc(C[N@H+]2CC[C@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)cn1 ZINC000065505890 570771353 /nfs/dbraw/zinc/77/13/53/570771353.db2.gz DRNZKBLIRXLLGO-SFHVURJKSA-N 1 1 393.874 4.515 50 0 GJAAMO COc1ccc(-c2nnc([C@@H](C)Nc3ccc([NH+]4CCCCC4)cc3)o2)cc1 ZINC000012547438 570850320 /nfs/dbraw/zinc/85/03/20/570850320.db2.gz HRPVVXRCGXYMQC-MRXNPFEDSA-N 1 1 378.476 4.909 50 0 GJAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccsc2)C3)c1 ZINC000014997418 570870862 /nfs/dbraw/zinc/87/08/62/570870862.db2.gz ARLYCOCSAXJGGC-UHFFFAOYSA-N 1 1 381.497 4.827 50 0 GJAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccsc2)C3)c1 ZINC000014997418 570870863 /nfs/dbraw/zinc/87/08/63/570870863.db2.gz ARLYCOCSAXJGGC-UHFFFAOYSA-N 1 1 381.497 4.827 50 0 GJAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H](C)C[C@H](C)C3)n2)CCC4)CC1 ZINC000003504499 570873886 /nfs/dbraw/zinc/87/38/86/570873886.db2.gz QWMAEGORXUJQDA-CALCHBBNSA-N 1 1 398.620 4.894 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](CC=C(C)C)C2)cc1 ZINC000015080618 570879544 /nfs/dbraw/zinc/87/95/44/570879544.db2.gz UZGIRCKOGMWGPF-FQEVSTJZSA-N 1 1 378.516 4.979 50 0 GJAAMO Cc1nc(CSCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cs1 ZINC000046934574 570937442 /nfs/dbraw/zinc/93/74/42/570937442.db2.gz HZVXOLCSGJXQJK-HNNXBMFYSA-N 1 1 389.590 4.555 50 0 GJAAMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745242 570960074 /nfs/dbraw/zinc/96/00/74/570960074.db2.gz QCVNOWBSLHBOBJ-HSZRJFAPSA-N 1 1 394.534 4.519 50 0 GJAAMO CCCC[N@H+]1C[C@H](C(=O)NCc2ccccc2)C[C@H](c2ccc(CC)cc2)C1 ZINC000107375831 570973765 /nfs/dbraw/zinc/97/37/65/570973765.db2.gz YFGCFRVVATZUQP-BJKOFHAPSA-N 1 1 378.560 4.771 50 0 GJAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(SC)c3)C2)cc1OC ZINC000014962130 210134325 /nfs/dbraw/zinc/13/43/25/210134325.db2.gz KJGHXEBKQLDFLQ-SFHVURJKSA-N 1 1 385.529 4.521 50 0 GJAAMO Cc1ccccc1OCC[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000014079500 210101927 /nfs/dbraw/zinc/10/19/27/210101927.db2.gz RQZZRRFIXBKOOK-UHFFFAOYSA-N 1 1 381.303 4.641 50 0 GJAAMO Cc1c[nH]c2cccc(OC[C@H](O)C[N@@H+](Cc3ccc(C)cc3)C(C)(C)C)c12 ZINC000002450149 209365665 /nfs/dbraw/zinc/36/56/65/209365665.db2.gz PPLUXYKPQIWXFT-HXUWFJFHSA-N 1 1 380.532 4.825 50 0 GJAAMO COC[C@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000001447656 209329380 /nfs/dbraw/zinc/32/93/80/209329380.db2.gz XZWBVVYCCYLQEE-INIZCTEOSA-N 1 1 388.471 4.543 50 0 GJAAMO Fc1ccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)cc1F ZINC000299760173 212032580 /nfs/dbraw/zinc/03/25/80/212032580.db2.gz OCBMGZHQUZFJIH-DBVUQKKJSA-N 1 1 381.426 4.632 50 0 GJAAMO COc1cccc(C[NH2+]Cc2ccccn2)c1OCc1ccc(F)cc1Cl ZINC000004999754 204100508 /nfs/dbraw/zinc/10/05/08/204100508.db2.gz HIMXQERVEBKQTF-UHFFFAOYSA-N 1 1 386.854 4.752 50 0 GJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1 ZINC000005035008 204105878 /nfs/dbraw/zinc/10/58/78/204105878.db2.gz QFRGNRWFVQQQNV-QGZVFWFLSA-N 1 1 399.966 4.761 50 0 GJAAMO CCCC[N@@H+](CCCn1cnc2c3ccccc3[nH]c2c1=O)Cc1ccccc1 ZINC000006809312 204210292 /nfs/dbraw/zinc/21/02/92/204210292.db2.gz LMGJZTVVYCKZRN-UHFFFAOYSA-N 1 1 388.515 4.570 50 0 GJAAMO O=C(Nc1cccc(Cl)c1)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877303 204219228 /nfs/dbraw/zinc/21/92/28/204219228.db2.gz FRCPGAZPGXQBPA-UHFFFAOYSA-N 1 1 383.923 4.642 50 0 GJAAMO O=C(c1cc2ccccc2o1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000006757832 204201491 /nfs/dbraw/zinc/20/14/91/204201491.db2.gz LLUJDHDSWVSBFJ-UHFFFAOYSA-N 1 1 391.858 4.597 50 0 GJAAMO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@H]3c3cccs3)ccc2c1 ZINC000007362863 204240089 /nfs/dbraw/zinc/24/00/89/204240089.db2.gz DRGNNKORSZKICH-NRFANRHFSA-N 1 1 394.540 4.705 50 0 GJAAMO COc1ccc(C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1F ZINC000008718178 204285435 /nfs/dbraw/zinc/28/54/35/204285435.db2.gz HQPIBWAEAYIAOM-UHFFFAOYSA-N 1 1 378.447 4.719 50 0 GJAAMO C[NH+]1CCN(c2nc(-c3c4ccccc4[nH]c3-c3ccc(F)cc3)cs2)CC1 ZINC000008297177 204270389 /nfs/dbraw/zinc/27/03/89/204270389.db2.gz SQEJFLXZNCAVRF-UHFFFAOYSA-N 1 1 392.503 4.849 50 0 GJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CSc2ccccc2)C1 ZINC000011818180 204354363 /nfs/dbraw/zinc/35/43/63/204354363.db2.gz NVALDYYMCUTBAO-OAQYLSRUSA-N 1 1 396.600 4.500 50 0 GJAAMO O=C(CC1=CCCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012203922 204382054 /nfs/dbraw/zinc/38/20/54/204382054.db2.gz BVWUGHPMQRNYJO-QHCPKHFHSA-N 1 1 388.502 4.670 50 0 GJAAMO O=C(CC1=CCCCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012203922 204382059 /nfs/dbraw/zinc/38/20/59/204382059.db2.gz BVWUGHPMQRNYJO-QHCPKHFHSA-N 1 1 388.502 4.670 50 0 GJAAMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)[C@@H]1CCOC1 ZINC000012301320 204390522 /nfs/dbraw/zinc/39/05/22/204390522.db2.gz FHBCDIDHFWNBDL-OAQYLSRUSA-N 1 1 387.483 4.565 50 0 GJAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345502 205013100 /nfs/dbraw/zinc/01/31/00/205013100.db2.gz YDLBRDKQFPYYCB-HSZRJFAPSA-N 1 1 393.506 4.606 50 0 GJAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000040155010 205059307 /nfs/dbraw/zinc/05/93/07/205059307.db2.gz KGWVZDXBTUEWGW-UHFFFAOYSA-N 1 1 377.341 4.520 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c(F)c1 ZINC000043083283 205081344 /nfs/dbraw/zinc/08/13/44/205081344.db2.gz GOHNMMIOXQNTHS-QGZVFWFLSA-N 1 1 383.442 4.743 50 0 GJAAMO CC(C)n1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2cc(Cl)ccc21 ZINC000085879976 205129729 /nfs/dbraw/zinc/12/97/29/205129729.db2.gz FZSCFDQMLPKAEE-QFBILLFUSA-N 1 1 387.955 4.870 50 0 biogenic GJAAMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000063726624 205186764 /nfs/dbraw/zinc/18/67/64/205186764.db2.gz QQSSQYJIRVRIBC-UHFFFAOYSA-N 1 1 396.375 4.671 50 0 GJAAMO O=C(c1ccc(Cl)cc1)N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058341563 205173035 /nfs/dbraw/zinc/17/30/35/205173035.db2.gz GWAUMLQKPZBCMR-IRLDBZIGSA-N 1 1 382.935 4.857 50 0 GJAAMO Cc1ccc(F)cc1NC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccccn2)c1 ZINC000065424393 205234690 /nfs/dbraw/zinc/23/46/90/205234690.db2.gz KYMSZNHYFRGPGW-QGZVFWFLSA-N 1 1 377.463 4.974 50 0 GJAAMO Cc1ccc(F)cc1NC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccccn2)c1 ZINC000065424393 205234693 /nfs/dbraw/zinc/23/46/93/205234693.db2.gz KYMSZNHYFRGPGW-QGZVFWFLSA-N 1 1 377.463 4.974 50 0 GJAAMO COc1cc(Oc2ccc3c(c2)OCCO3)cc(Cl)c1C[NH+]1CCCC1 ZINC000067833703 205262109 /nfs/dbraw/zinc/26/21/09/205262109.db2.gz HSDXKAJAGDLGBJ-UHFFFAOYSA-N 1 1 375.852 4.508 50 0 GJAAMO OCc1ccc(-c2cc([C@@H]3CC[N@@H+](Cc4cccc5[nH]ccc54)C3)ccn2)cc1 ZINC000067852436 205264572 /nfs/dbraw/zinc/26/45/72/205264572.db2.gz BRGKFEHDNRSTMN-OAQYLSRUSA-N 1 1 383.495 4.712 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(C)[nH+]1 ZINC000072117869 205304195 /nfs/dbraw/zinc/30/41/95/205304195.db2.gz VMWNHSVLNOKBBC-UHFFFAOYSA-N 1 1 380.427 4.744 50 0 GJAAMO COC[C@H]1CCC[N@H+]1Cc1cc2ccc(C)cc2nc1-c1ccc(OC)cc1 ZINC000072473446 205354077 /nfs/dbraw/zinc/35/40/77/205354077.db2.gz DHDVEYPDBNFLJA-OAQYLSRUSA-N 1 1 376.500 4.830 50 0 GJAAMO COC[C@@H]1CCC[N@H+]1Cc1cc2ccc(C)cc2nc1-c1ccc(OC)cc1 ZINC000072426965 205348555 /nfs/dbraw/zinc/34/85/55/205348555.db2.gz DHDVEYPDBNFLJA-NRFANRHFSA-N 1 1 376.500 4.830 50 0 GJAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2nc(-c3ccncc3)nc3c2CCC3)cc1 ZINC000079046620 205378372 /nfs/dbraw/zinc/37/83/72/205378372.db2.gz SITUIGCYIGMDCH-INIZCTEOSA-N 1 1 396.498 4.695 50 0 GJAAMO Cc1c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc2nccc(C)c12 ZINC000252550589 206143409 /nfs/dbraw/zinc/14/34/09/206143409.db2.gz SUKIEIYPQZBGKZ-MJGOQNOKSA-N 1 1 393.556 4.554 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1OC ZINC000299759969 206186619 /nfs/dbraw/zinc/18/66/19/206186619.db2.gz RVDYUYMFQARBNH-SFHVURJKSA-N 1 1 395.478 4.613 50 0 GJAAMO CO[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000072418255 211115607 /nfs/dbraw/zinc/11/56/07/211115607.db2.gz YCWLQVJMEOYGDF-JOCHJYFZSA-N 1 1 379.479 4.598 50 0 GJAAMO OC[C@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 ZINC000072457490 211123053 /nfs/dbraw/zinc/12/30/53/211123053.db2.gz DEHUFGOOTAJQKB-HNNXBMFYSA-N 1 1 384.882 4.899 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc(C)[nH+]1 ZINC000072442345 211121047 /nfs/dbraw/zinc/12/10/47/211121047.db2.gz GWELUYKVQCKENZ-UHFFFAOYSA-N 1 1 375.476 4.532 50 0 GJAAMO Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000067818518 211023755 /nfs/dbraw/zinc/02/37/55/211023755.db2.gz ZKTMYSAXUAZNCB-UHFFFAOYSA-N 1 1 379.410 4.968 50 0 GJAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000067818518 211023759 /nfs/dbraw/zinc/02/37/59/211023759.db2.gz ZKTMYSAXUAZNCB-UHFFFAOYSA-N 1 1 379.410 4.968 50 0 GJAAMO c1ccc(C(c2n[nH]c3c2C[N@H+](Cc2ccncc2)CC3)c2ccccc2)cc1 ZINC000067673723 211015783 /nfs/dbraw/zinc/01/57/83/211015783.db2.gz RVYFLWGLILNYCI-UHFFFAOYSA-N 1 1 380.495 4.543 50 0 GJAAMO c1ccc(C(c2n[nH]c3c2C[N@@H+](Cc2ccncc2)CC3)c2ccccc2)cc1 ZINC000067673723 211015787 /nfs/dbraw/zinc/01/57/87/211015787.db2.gz RVYFLWGLILNYCI-UHFFFAOYSA-N 1 1 380.495 4.543 50 0 GJAAMO COCCC[N@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cccs2)C1 ZINC000065419065 210992707 /nfs/dbraw/zinc/99/27/07/210992707.db2.gz LXYRHUITAMCSTO-SFHVURJKSA-N 1 1 381.545 4.637 50 0 GJAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)sc2C1 ZINC000021295529 210379859 /nfs/dbraw/zinc/37/98/59/210379859.db2.gz UHDLHNIUMXFSFG-UHFFFAOYSA-N 1 1 387.505 4.641 50 0 GJAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)sc2C1 ZINC000021295529 210379861 /nfs/dbraw/zinc/37/98/61/210379861.db2.gz UHDLHNIUMXFSFG-UHFFFAOYSA-N 1 1 387.505 4.641 50 0 GJAAMO c1[nH]nc([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c1Cc1ccccc1 ZINC000020600028 210350924 /nfs/dbraw/zinc/35/09/24/210350924.db2.gz WIWIHPVFFVNHKZ-QFIPXVFZSA-N 1 1 382.511 4.928 50 0 GJAAMO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)c1 ZINC000020601043 210350279 /nfs/dbraw/zinc/35/02/79/210350279.db2.gz JCQYJVFHGAYNMY-LJQANCHMSA-N 1 1 392.524 4.914 50 0 GJAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)c1 ZINC000020601043 210350285 /nfs/dbraw/zinc/35/02/85/210350285.db2.gz JCQYJVFHGAYNMY-LJQANCHMSA-N 1 1 392.524 4.914 50 0 GJAAMO COc1cccc(OC)c1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000020600827 210349750 /nfs/dbraw/zinc/34/97/50/210349750.db2.gz BGOFGHAHDYJVPF-IBGZPJMESA-N 1 1 391.515 4.782 50 0 GJAAMO FC(F)(F)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000019840957 210302233 /nfs/dbraw/zinc/30/22/33/210302233.db2.gz DDFPPVUNLJWCSO-QGZVFWFLSA-N 1 1 386.421 4.870 50 0 GJAAMO COc1ccc(C)cc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019812525 210300942 /nfs/dbraw/zinc/30/09/42/210300942.db2.gz AVFLLBXUQWGXSR-UHFFFAOYSA-N 1 1 386.495 4.814 50 0 GJAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c(C)[nH]c4ccccc43)C2)c(OC)c1 ZINC000012074922 221148096 /nfs/dbraw/zinc/14/80/96/221148096.db2.gz JROJDGNPVQRXAG-KRWDZBQOSA-N 1 1 392.499 4.588 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(-c3ccccc3OC)no2)cc1 ZINC000014019767 221297430 /nfs/dbraw/zinc/29/74/30/221297430.db2.gz FLJBAYIALWESGP-FQEVSTJZSA-N 1 1 393.487 4.871 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(-c3ccccc3OC)no2)cc1 ZINC000014019767 221297433 /nfs/dbraw/zinc/29/74/33/221297433.db2.gz FLJBAYIALWESGP-FQEVSTJZSA-N 1 1 393.487 4.871 50 0 GJAAMO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)s1 ZINC000015065575 221328751 /nfs/dbraw/zinc/32/87/51/221328751.db2.gz UTEBQTPQDGNRKN-FQEVSTJZSA-N 1 1 393.512 4.847 50 0 GJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)s1 ZINC000015065575 221328753 /nfs/dbraw/zinc/32/87/53/221328753.db2.gz UTEBQTPQDGNRKN-FQEVSTJZSA-N 1 1 393.512 4.847 50 0 GJAAMO Cc1ccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000023306769 570229184 /nfs/dbraw/zinc/22/91/84/570229184.db2.gz MXKOZUKLHHARJP-VWLOTQADSA-N 1 1 384.523 4.851 50 0 GJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)CC(C)C)CC3)ccc21 ZINC000020215192 570248619 /nfs/dbraw/zinc/24/86/19/570248619.db2.gz ZCBGNLFDJCZAAT-UHFFFAOYSA-N 1 1 377.532 4.505 50 0 GJAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCn3ccnc3)c(C)o2)cc1C ZINC000020450577 570256774 /nfs/dbraw/zinc/25/67/74/570256774.db2.gz OPLANKBAPQZZIE-HXUWFJFHSA-N 1 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CCc1nc(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cs1 ZINC000216477780 570302474 /nfs/dbraw/zinc/30/24/74/570302474.db2.gz USUAAQSQDRWVSH-HXUWFJFHSA-N 1 1 375.557 4.577 50 0 GJAAMO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022089791 570305655 /nfs/dbraw/zinc/30/56/55/570305655.db2.gz ADXXNJXGKIIVLO-UHFFFAOYSA-N 1 1 395.506 4.715 50 0 GJAAMO CCCc1nn2c(nc(C[N@@H+](CCC)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000035509824 570382114 /nfs/dbraw/zinc/38/21/14/570382114.db2.gz FPXYLJFAHFGSDC-UHFFFAOYSA-N 1 1 398.576 4.639 50 0 GJAAMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024432642 570383592 /nfs/dbraw/zinc/38/35/92/570383592.db2.gz IATKINLGQIDXND-LJQANCHMSA-N 1 1 380.419 4.589 50 0 GJAAMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024432642 570383593 /nfs/dbraw/zinc/38/35/93/570383593.db2.gz IATKINLGQIDXND-LJQANCHMSA-N 1 1 380.419 4.589 50 0 GJAAMO CSC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390832860 570426846 /nfs/dbraw/zinc/42/68/46/570426846.db2.gz GZXJBBXFVZOULG-FYYLOGMGSA-N 1 1 396.600 4.552 50 0 GJAAMO Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054072981 570438965 /nfs/dbraw/zinc/43/89/65/570438965.db2.gz LAIRGCIHFMWSSL-UHFFFAOYSA-N 1 1 395.528 4.532 50 0 GJAAMO CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027663880 570439294 /nfs/dbraw/zinc/43/92/94/570439294.db2.gz IJSANSDZADJBNS-FQEVSTJZSA-N 1 1 386.923 4.696 50 0 GJAAMO c1ccc([C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)c2ccccn2)cc1 ZINC000030544689 570490988 /nfs/dbraw/zinc/49/09/88/570490988.db2.gz KBOAZTGUBJJFAQ-RUZDIDTESA-N 1 1 381.479 4.935 50 0 GJAAMO CSc1ccc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000022031971 570537821 /nfs/dbraw/zinc/53/78/21/570537821.db2.gz VQGMMBSQKWAIIZ-UHFFFAOYSA-N 1 1 380.479 4.745 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2C)s1 ZINC000036101157 570538078 /nfs/dbraw/zinc/53/80/78/570538078.db2.gz NLQHZZULFAXHKX-OAQYLSRUSA-N 1 1 381.541 4.807 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)s1 ZINC000036101513 570538521 /nfs/dbraw/zinc/53/85/21/570538521.db2.gz JXRHVFZMYAGPSF-FQEVSTJZSA-N 1 1 385.504 4.638 50 0 GJAAMO O=C1N[C@H](c2ccccc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000006732673 570557675 /nfs/dbraw/zinc/55/76/75/570557675.db2.gz XGNBUMIYSJJQQO-FQEVSTJZSA-N 1 1 375.497 4.735 50 0 GJAAMO O=C1N[C@H](c2ccccc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000006732673 570557676 /nfs/dbraw/zinc/55/76/76/570557676.db2.gz XGNBUMIYSJJQQO-FQEVSTJZSA-N 1 1 375.497 4.735 50 0 GJAAMO Cc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCCCC1 ZINC000036344885 570563319 /nfs/dbraw/zinc/56/33/19/570563319.db2.gz UKGJPEDDBQDMJP-QFIPXVFZSA-N 1 1 395.934 4.812 50 0 GJAAMO Cc1ccc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000022907785 570564341 /nfs/dbraw/zinc/56/43/41/570564341.db2.gz USQIXBFBJQSVQH-JOCHJYFZSA-N 1 1 390.552 4.894 50 0 GJAAMO Cc1ccc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1C ZINC000022907785 570564343 /nfs/dbraw/zinc/56/43/43/570564343.db2.gz USQIXBFBJQSVQH-JOCHJYFZSA-N 1 1 390.552 4.894 50 0 GJAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1F ZINC000022907738 570564347 /nfs/dbraw/zinc/56/43/47/570564347.db2.gz WNOQZRVNRZYNPL-LJQANCHMSA-N 1 1 398.478 4.556 50 0 GJAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1F ZINC000022907738 570564350 /nfs/dbraw/zinc/56/43/50/570564350.db2.gz WNOQZRVNRZYNPL-LJQANCHMSA-N 1 1 398.478 4.556 50 0 GJAAMO CCn1cc(CCCC(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c2ccccc21 ZINC000006782787 570590015 /nfs/dbraw/zinc/59/00/15/570590015.db2.gz QEBWVQXOFDMNHQ-BGYRXZFFSA-N 1 1 383.580 4.753 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000036345891 570628014 /nfs/dbraw/zinc/62/80/14/570628014.db2.gz ZAWIYHIDDHTKPZ-GOSISDBHSA-N 1 1 391.515 4.627 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000036345891 570628017 /nfs/dbraw/zinc/62/80/17/570628017.db2.gz ZAWIYHIDDHTKPZ-GOSISDBHSA-N 1 1 391.515 4.627 50 0 GJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000012449133 570667688 /nfs/dbraw/zinc/66/76/88/570667688.db2.gz LNIQBTLRDWUHSH-JOCHJYFZSA-N 1 1 387.483 4.520 50 0 GJAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(C)cc3)c2)C1 ZINC000055368539 570692769 /nfs/dbraw/zinc/69/27/69/570692769.db2.gz YGLIJFMTKOZJDB-IBGZPJMESA-N 1 1 379.529 4.646 50 0 GJAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(C)cc3)c2)C1 ZINC000055368539 570692771 /nfs/dbraw/zinc/69/27/71/570692771.db2.gz YGLIJFMTKOZJDB-IBGZPJMESA-N 1 1 379.529 4.646 50 0 GJAAMO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]C1CCN(C(C)C)CC1 ZINC000012714546 570703726 /nfs/dbraw/zinc/70/37/26/570703726.db2.gz PYERKDLQSVFKKR-NRFANRHFSA-N 1 1 380.580 4.657 50 0 GJAAMO Cc1noc(Cl)c1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000058186029 570717433 /nfs/dbraw/zinc/71/74/33/570717433.db2.gz ZSLMDJFWTICYID-UHFFFAOYSA-N 1 1 375.900 4.582 50 0 GJAAMO Cc1ccccc1N1C2=CCCCC[N@H+]2C[C@@]1(O)c1ccc(Br)cc1 ZINC000006996256 570733104 /nfs/dbraw/zinc/73/31/04/570733104.db2.gz WWVWXAUZWDBUDO-OAQYLSRUSA-N 1 1 399.332 4.750 50 0 GJAAMO O[C@@]12CCCC[C@H]1[C@H](c1ccc3c(c1)OCO3)[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000524728994 570764342 /nfs/dbraw/zinc/76/43/42/570764342.db2.gz RDZKUDPALZMKLW-XRLLRDSSSA-N 1 1 391.511 4.797 50 0 biogenic GJAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000065322355 570800122 /nfs/dbraw/zinc/80/01/22/570800122.db2.gz DXAASKDZQYYJMQ-UHFFFAOYSA-N 1 1 380.492 4.668 50 0 GJAAMO CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000032825241 570839459 /nfs/dbraw/zinc/83/94/59/570839459.db2.gz JOBLHBWJZYTSSJ-UHFFFAOYSA-N 1 1 395.286 4.573 50 0 GJAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc(Cl)c1O ZINC000014970761 570867996 /nfs/dbraw/zinc/86/79/96/570867996.db2.gz UIPGFDHUYANJBF-HNNXBMFYSA-N 1 1 394.298 4.803 50 0 GJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc(Cl)c1O ZINC000014970761 570867998 /nfs/dbraw/zinc/86/79/98/570867998.db2.gz UIPGFDHUYANJBF-HNNXBMFYSA-N 1 1 394.298 4.803 50 0 GJAAMO O=C1N[C@@H](c2ccccc2F)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000003647456 570881006 /nfs/dbraw/zinc/88/10/06/570881006.db2.gz FDZIEOFCTPCQMG-HXUWFJFHSA-N 1 1 393.487 4.874 50 0 GJAAMO O=C1N[C@@H](c2ccccc2F)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000003647456 570881010 /nfs/dbraw/zinc/88/10/10/570881010.db2.gz FDZIEOFCTPCQMG-HXUWFJFHSA-N 1 1 393.487 4.874 50 0 GJAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000010089083 570891963 /nfs/dbraw/zinc/89/19/63/570891963.db2.gz REFFPUMDUOYREU-MRXNPFEDSA-N 1 1 380.822 4.717 50 0 GJAAMO Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCCC2)o1 ZINC000015860470 570907041 /nfs/dbraw/zinc/90/70/41/570907041.db2.gz WXVKNZJWWYXSKR-KRWDZBQOSA-N 1 1 386.879 4.863 50 0 GJAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000105008222 570912368 /nfs/dbraw/zinc/91/23/68/570912368.db2.gz GYKGPCAYNWCNHA-KSFYIVLOSA-N 1 1 397.469 4.517 50 0 GJAAMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000012650990 570946900 /nfs/dbraw/zinc/94/69/00/570946900.db2.gz DHSAIHYCAOTDIO-LJQANCHMSA-N 1 1 387.527 4.899 50 0 GJAAMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000012650990 570946905 /nfs/dbraw/zinc/94/69/05/570946905.db2.gz DHSAIHYCAOTDIO-LJQANCHMSA-N 1 1 387.527 4.899 50 0 GJAAMO O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106159619 570948849 /nfs/dbraw/zinc/94/88/49/570948849.db2.gz GWAUMLQKPZBCMR-IFMALSPDSA-N 1 1 382.935 4.857 50 0 GJAAMO Cc1ccc(/C=C\C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000033291016 570959081 /nfs/dbraw/zinc/95/90/81/570959081.db2.gz SEOTUMPKDVMMPB-MSUUIHNZSA-N 1 1 396.534 4.942 50 0 GJAAMO CC[C@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2C)[C@H](C)C(C)C)n1 ZINC000106597435 570966310 /nfs/dbraw/zinc/96/63/10/570966310.db2.gz XJEKSRRLXRJKJU-RBUKOAKNSA-N 1 1 385.552 4.866 50 0 GJAAMO CC[C@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2C)[C@H](C)C(C)C)n1 ZINC000106597435 570966315 /nfs/dbraw/zinc/96/63/15/570966315.db2.gz XJEKSRRLXRJKJU-RBUKOAKNSA-N 1 1 385.552 4.866 50 0 GJAAMO C[N@H+]1CCC[C@@H](COC(=O)CCc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000107137933 570971663 /nfs/dbraw/zinc/97/16/63/570971663.db2.gz XWSHGVUTEFJWQX-OXJNMPFZSA-N 1 1 395.421 4.857 50 0 GJAAMO C[N@@H+]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)[C@H](c2ccccc2)C1 ZINC000012737754 570978945 /nfs/dbraw/zinc/97/89/45/570978945.db2.gz UCBIRUCTTCARIJ-QFIPXVFZSA-N 1 1 392.474 4.534 50 0 GJAAMO C[N@H+]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)[C@H](c2ccccc2)C1 ZINC000012737754 570978948 /nfs/dbraw/zinc/97/89/48/570978948.db2.gz UCBIRUCTTCARIJ-QFIPXVFZSA-N 1 1 392.474 4.534 50 0 GJAAMO Fc1ccc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019359445 570979738 /nfs/dbraw/zinc/97/97/38/570979738.db2.gz HDUFJRZBCVMGNB-UHFFFAOYSA-N 1 1 376.475 4.936 50 0 GJAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C1 ZINC000012993743 210042112 /nfs/dbraw/zinc/04/21/12/210042112.db2.gz OFRZDRWCBQOBAF-RYUDHWBXSA-N 1 1 381.904 4.666 50 0 GJAAMO COc1ccc(F)c(C[NH2+][C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)c1 ZINC000012708120 209994456 /nfs/dbraw/zinc/99/44/56/209994456.db2.gz MWXJLMRMJDTSOW-OAQYLSRUSA-N 1 1 379.479 4.804 50 0 GJAAMO O=C(Nc1cccc(Cl)c1Cl)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000004299448 204036682 /nfs/dbraw/zinc/03/66/82/204036682.db2.gz BHQXGUAVYAGJKR-UHFFFAOYSA-N 1 1 396.293 4.872 50 0 GJAAMO O=C(Nc1cccc(Cl)c1Cl)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000004299448 204036685 /nfs/dbraw/zinc/03/66/85/204036685.db2.gz BHQXGUAVYAGJKR-UHFFFAOYSA-N 1 1 396.293 4.872 50 0 GJAAMO COc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004998080 204100871 /nfs/dbraw/zinc/10/08/71/204100871.db2.gz FXFDGIDAGANIBV-UHFFFAOYSA-N 1 1 386.854 4.752 50 0 GJAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)[NH+](C)C ZINC000008088757 204261862 /nfs/dbraw/zinc/26/18/62/204261862.db2.gz TXJMKRLJJPPEPC-JOCHJYFZSA-N 1 1 390.483 4.520 50 0 GJAAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009217869 204303739 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CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000012206395 204383640 /nfs/dbraw/zinc/38/36/40/204383640.db2.gz ASMKLRRDEVPTGO-IWXKUNQBSA-N 1 1 397.515 4.675 50 0 GJAAMO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2nc(-c3cccs3)oc2C)c(F)c1 ZINC000012313966 204394935 /nfs/dbraw/zinc/39/49/35/204394935.db2.gz ABSYDMZUBYLPTQ-UHFFFAOYSA-N 1 1 398.463 4.539 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2)s1 ZINC000036101516 205006399 /nfs/dbraw/zinc/00/63/99/205006399.db2.gz JXRHVFZMYAGPSF-HXUWFJFHSA-N 1 1 385.504 4.638 50 0 GJAAMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098688 205006465 /nfs/dbraw/zinc/00/64/65/205006465.db2.gz GYPQJKOQPSOHDC-HXUWFJFHSA-N 1 1 385.891 4.684 50 0 GJAAMO Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036343599 205010710 /nfs/dbraw/zinc/01/07/10/205010710.db2.gz DIJJLHOAEPJNOP-XMMPIXPASA-N 1 1 389.543 4.775 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000036345892 205013420 /nfs/dbraw/zinc/01/34/20/205013420.db2.gz ZAWIYHIDDHTKPZ-SFHVURJKSA-N 1 1 391.515 4.627 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](C)O)C1CC1 ZINC000036345892 205013424 /nfs/dbraw/zinc/01/34/24/205013424.db2.gz ZAWIYHIDDHTKPZ-SFHVURJKSA-N 1 1 391.515 4.627 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2C)cc1OC ZINC000036348297 205013618 /nfs/dbraw/zinc/01/36/18/205013618.db2.gz KQDFLSANHVTJCG-XMMPIXPASA-N 1 1 376.500 4.809 50 0 GJAAMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000054991742 205142208 /nfs/dbraw/zinc/14/22/08/205142208.db2.gz NXOPRQUIKXFMJJ-IBGZPJMESA-N 1 1 390.449 4.576 50 0 GJAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1sc2cc(Cl)ccc2c1OC ZINC000064756835 205193575 /nfs/dbraw/zinc/19/35/75/205193575.db2.gz JGRGCQBUIRBSLS-AWEZNQCLSA-N 1 1 380.941 4.558 50 0 GJAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1sc2cc(Cl)ccc2c1OC ZINC000064756833 205193608 /nfs/dbraw/zinc/19/36/08/205193608.db2.gz JGRGCQBUIRBSLS-CQSZACIVSA-N 1 1 380.941 4.558 50 0 GJAAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000065322277 205230359 /nfs/dbraw/zinc/23/03/59/205230359.db2.gz INOWJIJDQHBUBU-UHFFFAOYSA-N 1 1 394.494 4.995 50 0 GJAAMO Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](CCc4ccccc4C)C3)o2)n1C ZINC000072154849 205312352 /nfs/dbraw/zinc/31/23/52/205312352.db2.gz IEEDQQKIHNWBQD-LJQANCHMSA-N 1 1 378.520 4.537 50 0 GJAAMO COc1ccc2cc(C[N@@H+]3CCC[C@H](OC)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072408575 205347037 /nfs/dbraw/zinc/34/70/37/205347037.db2.gz XPLSHYBTFIYQQQ-QFIPXVFZSA-N 1 1 376.500 4.830 50 0 GJAAMO CNC(=O)c1ccc(C[N@H+]2CCCC(c3ccccc3)(c3ccccc3)C2)cc1 ZINC000095509409 211259823 /nfs/dbraw/zinc/25/98/23/211259823.db2.gz MQVWMWJLUIFHTH-UHFFFAOYSA-N 1 1 384.523 4.628 50 0 GJAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cc4ccccc4o3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095352793 211221044 /nfs/dbraw/zinc/22/10/44/211221044.db2.gz CLYWHKDXXMVNNZ-ICDZXHCJSA-N 1 1 388.511 4.504 50 0 GJAAMO COc1ccc2cc(CN3CCC[N@@H+](C)CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072421108 211115458 /nfs/dbraw/zinc/11/54/58/211115458.db2.gz RXKFNQVTBYDQRZ-UHFFFAOYSA-N 1 1 395.934 4.701 50 0 GJAAMO COc1ccc2cc(C[N@@H+]3CCCN(C)CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072421108 211115461 /nfs/dbraw/zinc/11/54/61/211115461.db2.gz RXKFNQVTBYDQRZ-UHFFFAOYSA-N 1 1 395.934 4.701 50 0 GJAAMO COc1ccc2cc(C[N@H+]3CCCN(C)CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072421108 211115464 /nfs/dbraw/zinc/11/54/64/211115464.db2.gz RXKFNQVTBYDQRZ-UHFFFAOYSA-N 1 1 395.934 4.701 50 0 GJAAMO C[N@H+](Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C[C@@H]1CCCO1 ZINC000072479027 211124830 /nfs/dbraw/zinc/12/48/30/211124830.db2.gz NVXSOWGBQKEOCW-IBGZPJMESA-N 1 1 399.897 4.943 50 0 GJAAMO Cc1cccc2cc(C[N@@H+](C)CCN3CCCCC3=O)c(-c3cccs3)nc12 ZINC000072435744 211121069 /nfs/dbraw/zinc/12/10/69/211121069.db2.gz GWAVBVCWINVAPH-UHFFFAOYSA-N 1 1 393.556 4.716 50 0 GJAAMO C[N@@H+](Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C1CCOCC1 ZINC000072422974 211116639 /nfs/dbraw/zinc/11/66/39/211116639.db2.gz YUNUAJUNHVAURF-UHFFFAOYSA-N 1 1 399.897 4.943 50 0 GJAAMO O=C(c1c[nH+]c2ccccc2c1NCc1ccc(F)cc1F)N1CCCCC1 ZINC000072328448 211091673 /nfs/dbraw/zinc/09/16/73/211091673.db2.gz JAYUQAUJAOHWDS-UHFFFAOYSA-N 1 1 381.426 4.751 50 0 GJAAMO COc1c[nH]c(C[N@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cc1=O ZINC000072170086 211079528 /nfs/dbraw/zinc/07/95/28/211079528.db2.gz NOZYJIJQTUTRGG-HNNXBMFYSA-N 1 1 394.437 4.659 50 0 GJAAMO Cc1c2cc(Cl)cc(CNC(=O)[C@@H]3CCC[N@H+](C)C3)c2[nH]c1-c1ccccc1 ZINC000071712099 211051616 /nfs/dbraw/zinc/05/16/16/211051616.db2.gz LEWRXTVAADVVGB-QGZVFWFLSA-N 1 1 395.934 4.755 50 0 GJAAMO C[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000067489698 211010433 /nfs/dbraw/zinc/01/04/33/211010433.db2.gz ITLTZAUJGJYSTR-IBGZPJMESA-N 1 1 382.511 4.941 50 0 GJAAMO Cc1cccc(-c2ccc(C(=O)NCCCn3cc[nH+]c3C(C)C)cn2)c1C ZINC000067673001 211015501 /nfs/dbraw/zinc/01/55/01/211015501.db2.gz LDMLSYFXMUSECY-UHFFFAOYSA-N 1 1 376.504 4.505 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000021659275 210387676 /nfs/dbraw/zinc/38/76/76/210387676.db2.gz XNWSRGWFGPGAFM-GOSISDBHSA-N 1 1 386.499 4.624 50 0 GJAAMO COc1cc(C[N@H+]2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)ccc1O ZINC000020911395 210369498 /nfs/dbraw/zinc/36/94/98/210369498.db2.gz JUFFLAOQLOMYJB-QFIPXVFZSA-N 1 1 381.497 4.907 50 0 GJAAMO COc1cc(C[N@@H+]2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)ccc1O ZINC000020911395 210369501 /nfs/dbraw/zinc/36/95/01/210369501.db2.gz JUFFLAOQLOMYJB-QFIPXVFZSA-N 1 1 381.497 4.907 50 0 GJAAMO CC[C@@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868652 210364843 /nfs/dbraw/zinc/36/48/43/210364843.db2.gz QLEDSCNDBAFOPV-LEWJYISDSA-N 1 1 394.342 4.707 50 0 GJAAMO Cc1cccc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020726342 210358087 /nfs/dbraw/zinc/35/80/87/210358087.db2.gz CJLMZERZRZYWBH-UHFFFAOYSA-N 1 1 385.511 4.934 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4ccccc4)C3)c(C)o2)cc1 ZINC000019791472 210295104 /nfs/dbraw/zinc/29/51/04/210295104.db2.gz WTMWVGUPZHLANA-NRFANRHFSA-N 1 1 390.483 4.816 50 0 GJAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019790184 210294703 /nfs/dbraw/zinc/29/47/03/210294703.db2.gz YFYFJQXVJLJZRZ-UHFFFAOYSA-N 1 1 384.523 4.874 50 0 GJAAMO Cc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000011820657 221129919 /nfs/dbraw/zinc/12/99/19/221129919.db2.gz XPMFLEGTJMYMKI-JOCHJYFZSA-N 1 1 387.483 4.785 50 0 GJAAMO CC(=O)c1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(F)c1 ZINC000012557803 221207321 /nfs/dbraw/zinc/20/73/21/221207321.db2.gz DAAYKQOCPCUGRS-UHFFFAOYSA-N 1 1 383.854 4.557 50 0 GJAAMO Cc1cc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)nc2ccccc12 ZINC000095498571 136179726 /nfs/dbraw/zinc/17/97/26/136179726.db2.gz YNXNOFVOMMTPKY-UHFFFAOYSA-N 1 1 383.499 4.567 50 0 GJAAMO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](C/C=C/c4ccccc4)C3)CC2)c1 ZINC000020535620 136202622 /nfs/dbraw/zinc/20/26/22/136202622.db2.gz KJELEYDJTVWVCT-ZHMUPQBKSA-N 1 1 395.978 4.640 50 0 GJAAMO Clc1cccc(N2CC[NH+]([C@@H]3CCCN(C/C=C/c4ccccc4)C3)CC2)c1 ZINC000020535620 136202623 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4.508 50 0 GJAAMO Cc1cc(C[N@H+](C)Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)on1 ZINC000020541350 570266724 /nfs/dbraw/zinc/26/67/24/570266724.db2.gz WGMADBCYPHBDMC-UHFFFAOYSA-N 1 1 380.423 4.508 50 0 GJAAMO Cc1ccc(C)c(-n2cc(C[N@H+](C)CCc3cnn(C)c3)c(-c3ccccc3)n2)c1 ZINC000020601760 570270359 /nfs/dbraw/zinc/27/03/59/570270359.db2.gz SCCAEEWQKXXNGO-UHFFFAOYSA-N 1 1 399.542 4.564 50 0 GJAAMO CN(Cc1ccc2ncccc2c1)C(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000216002399 570294719 /nfs/dbraw/zinc/29/47/19/570294719.db2.gz DGLPHFCXDBFWSS-HSZRJFAPSA-N 1 1 391.490 4.560 50 0 GJAAMO C[N@@H+](Cc1ccccc1Cl)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941963 570315565 /nfs/dbraw/zinc/31/55/65/570315565.db2.gz VVJURLLEAVDOSS-OAQYLSRUSA-N 1 1 381.903 4.879 50 0 GJAAMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941963 570315566 /nfs/dbraw/zinc/31/55/66/570315566.db2.gz VVJURLLEAVDOSS-OAQYLSRUSA-N 1 1 381.903 4.879 50 0 GJAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cn1cnc3ccccc31)CC2 ZINC000023508617 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50 0 GJAAMO Cn1cc(C[N@@H+](C)Cc2cnccn2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000055245520 570688881 /nfs/dbraw/zinc/68/88/81/570688881.db2.gz AXKXIMQYDPCQLB-UHFFFAOYSA-N 1 1 375.520 4.557 50 0 GJAAMO COc1cc(Cl)c(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)cc1OC ZINC000012707610 570700975 /nfs/dbraw/zinc/70/09/75/570700975.db2.gz CMQBXUASCUJYIM-AWEZNQCLSA-N 1 1 385.895 4.702 50 0 GJAAMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017245211 570702134 /nfs/dbraw/zinc/70/21/34/570702134.db2.gz QMKMVZFOTCWUDB-LMXQCQDWSA-N 1 1 383.576 4.769 50 0 GJAAMO Cc1nn(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 ZINC000058158629 570711930 /nfs/dbraw/zinc/71/19/30/570711930.db2.gz JINBCXCBFAXMHI-JOCHJYFZSA-N 1 1 392.572 4.826 50 0 GJAAMO Cc1nn(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 ZINC000058158629 570711934 /nfs/dbraw/zinc/71/19/34/570711934.db2.gz JINBCXCBFAXMHI-JOCHJYFZSA-N 1 1 392.572 4.826 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000036452010 570713704 /nfs/dbraw/zinc/71/37/04/570713704.db2.gz ZIXBKPQLKIAYNQ-SJORKVTESA-N 1 1 394.490 4.685 50 0 GJAAMO CCC[N@@H+](Cc1cc(=O)n2ccccc2n1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000059404965 570738192 /nfs/dbraw/zinc/73/81/92/570738192.db2.gz UJUPOHMINMNKEI-CQSZACIVSA-N 1 1 390.314 4.975 50 0 GJAAMO c1nc(-c2ccccc2)c(-c2cccnc2)n1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000065436264 570769259 /nfs/dbraw/zinc/76/92/59/570769259.db2.gz DISZDWNYTBSKGY-QHCPKHFHSA-N 1 1 395.510 4.844 50 0 GJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2cccc(F)c2)cc1OC ZINC000013759019 570785894 /nfs/dbraw/zinc/78/58/94/570785894.db2.gz FKRPXPXSMAVQSM-AGILITTLSA-N 1 1 399.506 4.711 50 0 GJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005942818 570807295 /nfs/dbraw/zinc/80/72/95/570807295.db2.gz AUTUDPBMJAOGQU-IEBWSBKVSA-N 1 1 389.421 4.854 50 0 GJAAMO CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000014077843 570819072 /nfs/dbraw/zinc/81/90/72/570819072.db2.gz ANTQZMYOOXJSEG-ADKAHSJRSA-N 1 1 385.577 4.513 50 0 GJAAMO CCC[N@H+](CC1CC1)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S ZINC000012543632 570843993 /nfs/dbraw/zinc/84/39/93/570843993.db2.gz UZKURPVRVMFGPD-UHFFFAOYSA-N 1 1 397.523 4.684 50 0 GJAAMO CCC[N@@H+](CC1CC1)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S ZINC000012543632 570843996 /nfs/dbraw/zinc/84/39/96/570843996.db2.gz UZKURPVRVMFGPD-UHFFFAOYSA-N 1 1 397.523 4.684 50 0 GJAAMO Cc1cc(Cl)c(OCCOCC[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000002824083 570933242 /nfs/dbraw/zinc/93/32/42/570933242.db2.gz FERNBCFSUGMRRK-ZDUSSCGKSA-N 1 1 390.749 4.538 50 0 GJAAMO Cc1cc(Br)cc(C)c1OCCOCC[N@H+](C)Cc1ccccc1 ZINC000002823430 570933244 /nfs/dbraw/zinc/93/32/44/570933244.db2.gz CWFMBEFYLVNJIS-UHFFFAOYSA-N 1 1 392.337 4.593 50 0 GJAAMO CC1(C)C[C@@]2(CCC[N@@H+](CC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000001261673 570951242 /nfs/dbraw/zinc/95/12/42/570951242.db2.gz ULQRQRGTCDZWGL-XMMPIXPASA-N 1 1 379.544 4.594 50 0 GJAAMO CCOc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000248380688 570967500 /nfs/dbraw/zinc/96/75/00/570967500.db2.gz QWVJZHKGDWWDDA-JKSBSHDWSA-N 1 1 384.495 4.627 50 0 GJAAMO CCc1cccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1 ZINC000033326685 570980987 /nfs/dbraw/zinc/98/09/87/570980987.db2.gz ZAWKBLDYGBSYGC-UHFFFAOYSA-N 1 1 390.491 4.801 50 0 GJAAMO CCc1cccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)c1 ZINC000033326685 570980994 /nfs/dbraw/zinc/98/09/94/570980994.db2.gz ZAWKBLDYGBSYGC-UHFFFAOYSA-N 1 1 390.491 4.801 50 0 GJAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000091493067 571010867 /nfs/dbraw/zinc/01/08/67/571010867.db2.gz MDLIDVMRGHBXSQ-OAQYLSRUSA-N 1 1 377.532 4.810 50 0 GJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)c(OC)c1 ZINC000007740008 571029382 /nfs/dbraw/zinc/02/93/82/571029382.db2.gz HUFZZYZGUFSFSS-OAQYLSRUSA-N 1 1 393.483 4.764 50 0 GJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](C4CCCC4)C3)cc2)c1 ZINC000095507897 571079778 /nfs/dbraw/zinc/07/97/78/571079778.db2.gz WIZHQKXVUXHZEZ-FQEVSTJZSA-N 1 1 378.516 4.955 50 0 GJAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](CCO)Cc1ccccc1 ZINC000015078953 210152277 /nfs/dbraw/zinc/15/22/77/210152277.db2.gz PPQWFGTWSFZRFS-UHFFFAOYSA-N 1 1 390.405 4.663 50 0 GJAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](CCO)Cc1ccccc1 ZINC000015078953 210152280 /nfs/dbraw/zinc/15/22/80/210152280.db2.gz PPQWFGTWSFZRFS-UHFFFAOYSA-N 1 1 390.405 4.663 50 0 GJAAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000015004415 210143441 /nfs/dbraw/zinc/14/34/41/210143441.db2.gz AJJRNHQGIVTPMV-IBGZPJMESA-N 1 1 396.535 4.626 50 0 GJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000014949249 210131749 /nfs/dbraw/zinc/13/17/49/210131749.db2.gz UOFBUNYRQNPBFD-OAHLLOKOSA-N 1 1 391.389 4.529 50 0 GJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000014949249 210131753 /nfs/dbraw/zinc/13/17/53/210131753.db2.gz UOFBUNYRQNPBFD-OAHLLOKOSA-N 1 1 391.389 4.529 50 0 GJAAMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941976 210034408 /nfs/dbraw/zinc/03/44/08/210034408.db2.gz NFEWQCPHDXDUGW-JOCHJYFZSA-N 1 1 381.903 4.879 50 0 GJAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000012718832 209996695 /nfs/dbraw/zinc/99/66/95/209996695.db2.gz AGICHMRLBCTVTQ-SFHVURJKSA-N 1 1 394.902 4.992 50 0 GJAAMO C[N@H+]1[C@@H](CC(=O)Nc2ccc(Br)cc2)c2ccccc2CC1(C)C ZINC000000813348 209268149 /nfs/dbraw/zinc/26/81/49/209268149.db2.gz YPVMVWFHOJLRSK-SFHVURJKSA-N 1 1 387.321 4.786 50 0 GJAAMO c1ccc(CC[N@@H+](Cc2ccccc2)C2CCN(Cc3ccncc3)CC2)cc1 ZINC000004712155 204068030 /nfs/dbraw/zinc/06/80/30/204068030.db2.gz WVVHMMRVTJUBCJ-UHFFFAOYSA-N 1 1 385.555 4.791 50 0 GJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000004906417 204089817 /nfs/dbraw/zinc/08/98/17/204089817.db2.gz FIBHZBDKDIQOPU-LJQANCHMSA-N 1 1 379.504 4.674 50 0 GJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(F)cccc2Cl)N3)C1 ZINC000004555322 204053569 /nfs/dbraw/zinc/05/35/69/204053569.db2.gz ZWIVAIMMGCZQPT-MRXNPFEDSA-N 1 1 379.888 4.736 50 0 GJAAMO Fc1ccccc1N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004980514 204099258 /nfs/dbraw/zinc/09/92/58/204099258.db2.gz GHIVCECMNMMPBN-UHFFFAOYSA-N 1 1 376.475 4.727 50 0 GJAAMO CCc1ccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000006877305 204218239 /nfs/dbraw/zinc/21/82/39/204218239.db2.gz KGIPUFKJPGMXDQ-UHFFFAOYSA-N 1 1 377.532 4.551 50 0 GJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 ZINC000006762594 204202191 /nfs/dbraw/zinc/20/21/91/204202191.db2.gz ITDWUMYJUXDGKI-LJQANCHMSA-N 1 1 383.561 4.666 50 0 GJAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Br)c2)cc1OC ZINC000036396154 204318947 /nfs/dbraw/zinc/31/89/47/204318947.db2.gz MOIGCLVVXOISNC-QGZVFWFLSA-N 1 1 376.294 4.803 50 0 GJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(Br)c2)cc1OC ZINC000036396154 204318951 /nfs/dbraw/zinc/31/89/51/204318951.db2.gz MOIGCLVVXOISNC-QGZVFWFLSA-N 1 1 376.294 4.803 50 0 GJAAMO Cc1ccccc1C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000011820658 204355029 /nfs/dbraw/zinc/35/50/29/204355029.db2.gz XPMFLEGTJMYMKI-QFIPXVFZSA-N 1 1 387.483 4.785 50 0 GJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2C)C1 ZINC000011878692 204359666 /nfs/dbraw/zinc/35/96/66/204359666.db2.gz QEULUZUIERBTFB-QHCPKHFHSA-N 1 1 396.556 4.837 50 0 GJAAMO Cc1ccc(C(=O)N(Cc2cccc(OC[C@@H]3CCC[N@H+](C)C3)c2)C2CC2)cc1 ZINC000012156115 204376890 /nfs/dbraw/zinc/37/68/90/204376890.db2.gz SOKYZAWZKDXTMA-OAQYLSRUSA-N 1 1 392.543 4.520 50 0 GJAAMO COc1ccc(C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC ZINC000011011141 204341862 /nfs/dbraw/zinc/34/18/62/204341862.db2.gz JYOFUHSPTWFJRQ-UHFFFAOYSA-N 1 1 390.483 4.588 50 0 GJAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]31)=CC2 ZINC000012217278 204384230 /nfs/dbraw/zinc/38/42/30/204384230.db2.gz MISNNUFHYXNKTC-SBFWRKJZSA-N 1 1 392.587 4.534 50 0 GJAAMO Cc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000012208236 204384437 /nfs/dbraw/zinc/38/44/37/204384437.db2.gz QWECBNVSYCSLQX-QHCPKHFHSA-N 1 1 392.591 4.832 50 0 GJAAMO CCc1ccc(-c2cc(C(=O)N3CC[NH+](CC)CC3)c3cc(C)ccc3n2)cc1 ZINC000017079157 204605970 /nfs/dbraw/zinc/60/59/70/204605970.db2.gz IYBLKASEIDSNIY-UHFFFAOYSA-N 1 1 387.527 4.550 50 0 GJAAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c1OC ZINC000036347620 205013633 /nfs/dbraw/zinc/01/36/33/205013633.db2.gz RGLPOYZDSJQIDC-QFIPXVFZSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c1OC ZINC000036347620 205013634 /nfs/dbraw/zinc/01/36/34/205013634.db2.gz RGLPOYZDSJQIDC-QFIPXVFZSA-N 1 1 380.463 4.640 50 0 GJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104303 205004706 /nfs/dbraw/zinc/00/47/06/205004706.db2.gz PZVOSXFYJLUHQP-QHCPKHFHSA-N 1 1 379.475 4.576 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340964 205011022 /nfs/dbraw/zinc/01/10/22/205011022.db2.gz KLOIZAAVTTZKJF-QFIPXVFZSA-N 1 1 395.934 4.730 50 0 GJAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038834244 205039549 /nfs/dbraw/zinc/03/95/49/205039549.db2.gz KZDMXAORDAQUPK-UHFFFAOYSA-N 1 1 393.314 4.853 50 0 GJAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000040067000 205048311 /nfs/dbraw/zinc/04/83/11/205048311.db2.gz APNSJANTPSXMQH-CYBMUJFWSA-N 1 1 376.909 4.799 50 0 GJAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000040067000 205048314 /nfs/dbraw/zinc/04/83/14/205048314.db2.gz APNSJANTPSXMQH-CYBMUJFWSA-N 1 1 376.909 4.799 50 0 GJAAMO CCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000042437769 205079294 /nfs/dbraw/zinc/07/92/94/205079294.db2.gz CIHJFMRGJVQMSP-IBGZPJMESA-N 1 1 379.479 4.994 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)cc1 ZINC000042453723 205079866 /nfs/dbraw/zinc/07/98/66/205079866.db2.gz BHWAIPHVDDWOME-MRXNPFEDSA-N 1 1 383.442 4.743 50 0 GJAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(F)c(OC)c1)[NH2+]C2 ZINC000055028084 205141413 /nfs/dbraw/zinc/14/14/13/205141413.db2.gz AGRIWUOLHCLZRR-HSZRJFAPSA-N 1 1 396.462 4.615 50 0 GJAAMO CC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000057273928 205155059 /nfs/dbraw/zinc/15/50/59/205155059.db2.gz QNKLLSFLQURNAM-QHCPKHFHSA-N 1 1 392.886 4.860 50 0 GJAAMO CSc1ccc(-c2noc(C[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000057427605 205157324 /nfs/dbraw/zinc/15/73/24/205157324.db2.gz HKSWJESRAOVJKD-UHFFFAOYSA-N 1 1 379.529 4.913 50 0 GJAAMO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000058165246 205165869 /nfs/dbraw/zinc/16/58/69/205165869.db2.gz WJYTWBIDZCMXIR-KRWDZBQOSA-N 1 1 376.456 4.777 50 0 GJAAMO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc(Br)c1OC ZINC000058421340 205174776 /nfs/dbraw/zinc/17/47/76/205174776.db2.gz FXYLUCZLGOUACZ-KRWDZBQOSA-N 1 1 392.293 4.509 50 0 GJAAMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc(Br)c1OC ZINC000058421340 205174778 /nfs/dbraw/zinc/17/47/78/205174778.db2.gz FXYLUCZLGOUACZ-KRWDZBQOSA-N 1 1 392.293 4.509 50 0 GJAAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000065322280 205230658 /nfs/dbraw/zinc/23/06/58/205230658.db2.gz DSKCHKYPKJMATC-UHFFFAOYSA-N 1 1 382.533 4.917 50 0 GJAAMO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](CCCc1cccnc1)C2 ZINC000067514534 205247987 /nfs/dbraw/zinc/24/79/87/205247987.db2.gz OMUILQYSDMCYIM-UHFFFAOYSA-N 1 1 394.902 4.935 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc(C)[nH+]1 ZINC000072119218 205305304 /nfs/dbraw/zinc/30/53/04/205305304.db2.gz QOLLMYSVUKKNHJ-UHFFFAOYSA-N 1 1 395.894 4.795 50 0 GJAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3cc(Cl)ccc3n2)C1)c1cccs1 ZINC000076837363 205357933 /nfs/dbraw/zinc/35/79/33/205357933.db2.gz UVQLGNKEHWNWTR-HNNXBMFYSA-N 1 1 399.947 4.592 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1)NCc1ccc(F)c(F)c1 ZINC000095529231 211274374 /nfs/dbraw/zinc/27/43/74/211274374.db2.gz ATVJEHDOJMSLTE-CQSZACIVSA-N 1 1 396.865 4.520 50 0 GJAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC=C(C(F)(F)F)CC2)c1 ZINC000095441695 211240407 /nfs/dbraw/zinc/24/04/07/211240407.db2.gz WIFDSHULOSXWPX-UHFFFAOYSA-N 1 1 392.425 4.781 50 0 GJAAMO Cc1ccc(-c2nc(CC(=O)Nc3cccc4c3C[N@@H+](CC(C)C)C4)cs2)o1 ZINC000089656211 211181530 /nfs/dbraw/zinc/18/15/30/211181530.db2.gz VNAPPBCLCODCNG-UHFFFAOYSA-N 1 1 395.528 4.864 50 0 GJAAMO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000082039453 211160545 /nfs/dbraw/zinc/16/05/45/211160545.db2.gz FGNMRRVCHAEGFG-INIZCTEOSA-N 1 1 393.405 4.515 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000082039453 211160548 /nfs/dbraw/zinc/16/05/48/211160548.db2.gz FGNMRRVCHAEGFG-INIZCTEOSA-N 1 1 393.405 4.515 50 0 GJAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+]1CCC[C@H](O)C1 ZINC000072435755 211119459 /nfs/dbraw/zinc/11/94/59/211119459.db2.gz ANCIKZFVHDNNIU-SFHVURJKSA-N 1 1 382.891 4.521 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccccc3OC)cc2)cc(C)[nH+]1 ZINC000072115452 211070144 /nfs/dbraw/zinc/07/01/44/211070144.db2.gz BMQIFWMHAJRJGV-UHFFFAOYSA-N 1 1 392.463 4.613 50 0 GJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccnc1SC1CCCC1 ZINC000069950872 211041046 /nfs/dbraw/zinc/04/10/46/211041046.db2.gz QBHRQWIGGDOLGI-LJQANCHMSA-N 1 1 399.560 4.666 50 0 GJAAMO Cc1ccc(C)c(-c2ccc(C(=O)NCCCn3cc[nH+]c3C(C)C)cn2)c1 ZINC000067850076 211024801 /nfs/dbraw/zinc/02/48/01/211024801.db2.gz JYYCOFDRXVKURT-UHFFFAOYSA-N 1 1 376.504 4.505 50 0 GJAAMO Clc1ccc2oc(C3CC[NH+](Cc4nc(-c5ccco5)no4)CC3)nc2c1 ZINC000042742667 210804111 /nfs/dbraw/zinc/80/41/11/210804111.db2.gz KTZIRLGOMYATGW-UHFFFAOYSA-N 1 1 384.823 4.504 50 0 GJAAMO COc1ccc(Cl)cc1NC(=O)N1CCC(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021718156 210392122 /nfs/dbraw/zinc/39/21/22/210392122.db2.gz RRLFRAMDBBSPCY-IYBDPMFKSA-N 1 1 393.959 4.570 50 0 GJAAMO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)cc1 ZINC000020905922 210367868 /nfs/dbraw/zinc/36/78/68/210367868.db2.gz NGLBSWQDFOVDGS-OAQYLSRUSA-N 1 1 397.526 4.950 50 0 GJAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3c(C)[nH]c4ccc(C)cc43)C2)c1 ZINC000020454209 210336925 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1 385.529 4.521 50 0 GJAAMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H](C(=O)c2ccccc2SC)C1 ZINC000011933506 221137677 /nfs/dbraw/zinc/13/76/77/221137677.db2.gz VUPZYWWTUXURLT-MRXNPFEDSA-N 1 1 385.529 4.521 50 0 GJAAMO Cc1ccccc1-c1cccc(N2CCC(N3CCC([NH+](C)C)CC3)CC2)c1 ZINC000063855769 136156549 /nfs/dbraw/zinc/15/65/49/136156549.db2.gz LVRGXEZTSROUAR-UHFFFAOYSA-N 1 1 377.576 4.657 50 0 GJAAMO O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019827561 570223256 /nfs/dbraw/zinc/22/32/56/570223256.db2.gz XHQJYSCHUQBXDN-JWQCQUIFSA-N 1 1 396.534 4.724 50 0 GJAAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(OC)ccc23)cc1 ZINC000012855440 570267356 /nfs/dbraw/zinc/26/73/56/570267356.db2.gz QRIYHDKCPQHHGN-NRFANRHFSA-N 1 1 379.456 4.537 50 0 GJAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCCC[C@@H]1CCn1ccnc1 ZINC000020993061 570286392 /nfs/dbraw/zinc/28/63/92/570286392.db2.gz UOXVWZASDOIPRU-QGZVFWFLSA-N 1 1 384.911 4.945 50 0 GJAAMO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000021822234 570297158 /nfs/dbraw/zinc/29/71/58/570297158.db2.gz LPUXUFZHCNCLRK-UHFFFAOYSA-N 1 1 393.575 4.690 50 0 GJAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccco1 ZINC000021903078 570298987 /nfs/dbraw/zinc/29/89/87/570298987.db2.gz LZKCHMWKDNUBOL-QFIPXVFZSA-N 1 1 385.467 4.528 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H](c4ccccc4F)C3)c(C)o2)cc1 ZINC000023130734 570345782 /nfs/dbraw/zinc/34/57/82/570345782.db2.gz LFWFXJRRQIKWPC-SFHVURJKSA-N 1 1 394.446 4.565 50 0 GJAAMO O=C(C1CC[NH+](Cn2c3ccccc3sc2=S)CC1)N1CCCCCC1 ZINC000024082755 570378481 /nfs/dbraw/zinc/37/84/81/570378481.db2.gz AUBXJLFNSWPJHG-UHFFFAOYSA-N 1 1 389.590 4.504 50 0 GJAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H](O)c1ccccc1 ZINC000024591259 570386643 /nfs/dbraw/zinc/38/66/43/570386643.db2.gz IPHTUKOHIDOKNZ-DEOSSOPVSA-N 1 1 383.495 4.705 50 0 GJAAMO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012982205 570407036 /nfs/dbraw/zinc/40/70/36/570407036.db2.gz SSGJFHLYPPBOOR-MAUKXSAKSA-N 1 1 392.952 4.757 50 0 GJAAMO CC(C)[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000025309797 570410776 /nfs/dbraw/zinc/41/07/76/570410776.db2.gz LURJBDLCAKTSRQ-GOSISDBHSA-N 1 1 376.287 4.717 50 0 GJAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000005074597 570411378 /nfs/dbraw/zinc/41/13/78/570411378.db2.gz MNZAZSHKRHQWET-QFIPXVFZSA-N 1 1 386.536 4.558 50 0 GJAAMO Brc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222713 570432345 /nfs/dbraw/zinc/43/23/45/570432345.db2.gz DIYQANJPRNOVGW-HXUWFJFHSA-N 1 1 396.332 4.861 50 0 GJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2cccc(F)c2)cc1OC ZINC000005158155 570443348 /nfs/dbraw/zinc/44/33/48/570443348.db2.gz FKRPXPXSMAVQSM-HUVFLSCGSA-N 1 1 399.506 4.711 50 0 GJAAMO COCCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000035841025 570463165 /nfs/dbraw/zinc/46/31/65/570463165.db2.gz HZUKLHLDALAMKW-UHFFFAOYSA-N 1 1 396.506 4.723 50 0 GJAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c2cccnc12)c1ccccc1Cl ZINC000029052157 570467650 /nfs/dbraw/zinc/46/76/50/570467650.db2.gz UUVZRWJVEHBNKP-GOSISDBHSA-N 1 1 388.298 4.574 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000002734678 570511943 /nfs/dbraw/zinc/51/19/43/570511943.db2.gz YMCABVULDBFJDH-VWLOTQADSA-N 1 1 390.571 4.688 50 0 GJAAMO CN(C)CCC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000006662241 570525540 /nfs/dbraw/zinc/52/55/40/570525540.db2.gz RBXMWPWASVANNY-QUCCMNQESA-N 1 1 381.004 4.635 50 0 GJAAMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098686 570536333 /nfs/dbraw/zinc/53/63/33/570536333.db2.gz GYPQJKOQPSOHDC-FQEVSTJZSA-N 1 1 385.891 4.684 50 0 GJAAMO Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1C ZINC000036104438 570541264 /nfs/dbraw/zinc/54/12/64/570541264.db2.gz HMGGHAYKHAMAMX-DEOSSOPVSA-N 1 1 375.512 4.746 50 0 GJAAMO Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036104658 570541491 /nfs/dbraw/zinc/54/14/91/570541491.db2.gz NNTVHWGQBBBVGO-QHCPKHFHSA-N 1 1 379.475 4.576 50 0 GJAAMO Brc1cccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000257370769 570544999 /nfs/dbraw/zinc/54/49/99/570544999.db2.gz HEGRQVZYUPRVKO-WOJBJXKFSA-N 1 1 377.370 4.678 50 0 GJAAMO CC(=O)OCCC[N@H+](C)CC/C=C1\c2ccccc2CSc2ccccc21 ZINC000002049818 570587067 /nfs/dbraw/zinc/58/70/67/570587067.db2.gz JUNITZPKTVZOBL-CIAFOILYSA-N 1 1 381.541 4.999 50 0 GJAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccco2)C1)c1cccs1 ZINC000012020658 570598288 /nfs/dbraw/zinc/59/82/88/570598288.db2.gz VVRSCJWKAANTKD-KRWDZBQOSA-N 1 1 380.513 4.650 50 0 GJAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc1 ZINC000012019881 570598355 /nfs/dbraw/zinc/59/83/55/570598355.db2.gz KETQGNPDHAUPMQ-YVRWJWEHSA-N 1 1 385.935 4.679 50 0 GJAAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000012054726 570602024 /nfs/dbraw/zinc/60/20/24/570602024.db2.gz BZGJGSXQZJKEPA-IBGZPJMESA-N 1 1 379.891 4.621 50 0 GJAAMO COCC[C@H]1CCCC[N@@H+]1Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1 ZINC000012074152 570604482 /nfs/dbraw/zinc/60/44/82/570604482.db2.gz ITEZBGYXKNDSDK-HXUWFJFHSA-N 1 1 383.536 4.629 50 0 GJAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1 ZINC000012074152 570604485 /nfs/dbraw/zinc/60/44/85/570604485.db2.gz ITEZBGYXKNDSDK-HXUWFJFHSA-N 1 1 383.536 4.629 50 0 GJAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012091843 570607715 /nfs/dbraw/zinc/60/77/15/570607715.db2.gz MSAQXYNLYYNVPJ-INIZCTEOSA-N 1 1 399.947 4.991 50 0 GJAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012091843 570607718 /nfs/dbraw/zinc/60/77/18/570607718.db2.gz MSAQXYNLYYNVPJ-INIZCTEOSA-N 1 1 399.947 4.991 50 0 GJAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)c1 ZINC000043083339 570625425 /nfs/dbraw/zinc/62/54/25/570625425.db2.gz HLKOWYPBZNROHE-QGZVFWFLSA-N 1 1 383.442 4.743 50 0 GJAAMO CC[N@@H+](CC(=O)N1N=C(c2cc(C)ccc2C)C[C@@H]1c1ccccc1F)C(C)C ZINC000036343048 570626028 /nfs/dbraw/zinc/62/60/28/570626028.db2.gz NCCXXZSDSYWLBE-HSZRJFAPSA-N 1 1 395.522 4.851 50 0 GJAAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C)c2)c1OC ZINC000036347961 570630186 /nfs/dbraw/zinc/63/01/86/570630186.db2.gz RDURDTKLUIYJID-QHCPKHFHSA-N 1 1 376.500 4.809 50 0 GJAAMO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036347676 570630198 /nfs/dbraw/zinc/63/01/98/570630198.db2.gz MNAJRJQJUNQNFF-DEOSSOPVSA-N 1 1 392.499 4.509 50 0 GJAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036347676 570630199 /nfs/dbraw/zinc/63/01/99/570630199.db2.gz MNAJRJQJUNQNFF-DEOSSOPVSA-N 1 1 392.499 4.509 50 0 GJAAMO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000012304035 570637583 /nfs/dbraw/zinc/63/75/83/570637583.db2.gz NGFMPSVTLHUQFG-HXUWFJFHSA-N 1 1 389.474 4.738 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1 ZINC000012386204 570651455 /nfs/dbraw/zinc/65/14/55/570651455.db2.gz XPPNRGQFMOVHDO-HXUWFJFHSA-N 1 1 391.540 4.969 50 0 GJAAMO Cn1c(=S)n(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)nc1-c1ccc(Cl)cc1 ZINC000229975439 570667901 /nfs/dbraw/zinc/66/79/01/570667901.db2.gz MAARNTFVOZJWMX-RHSMWYFYSA-N 1 1 376.957 4.884 50 0 GJAAMO Cn1c(=S)n(C[N@H+]2CCC[C@H]3CCCC[C@H]32)nc1-c1ccc(Cl)cc1 ZINC000229975439 570667904 /nfs/dbraw/zinc/66/79/04/570667904.db2.gz MAARNTFVOZJWMX-RHSMWYFYSA-N 1 1 376.957 4.884 50 0 GJAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000012469955 570672073 /nfs/dbraw/zinc/67/20/73/570672073.db2.gz PGNNLHLVHUHNSP-MRXNPFEDSA-N 1 1 376.447 4.709 50 0 GJAAMO COCC[N@@H+](Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C(C)C ZINC000012507330 570675430 /nfs/dbraw/zinc/67/54/30/570675430.db2.gz DKWRCOKZHSAJJA-UHFFFAOYSA-N 1 1 379.504 4.736 50 0 GJAAMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006880997 570676078 /nfs/dbraw/zinc/67/60/78/570676078.db2.gz RUUSNCVZPWZRDU-GFCCVEGCSA-N 1 1 385.722 4.956 50 0 GJAAMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006880997 570676082 /nfs/dbraw/zinc/67/60/82/570676082.db2.gz RUUSNCVZPWZRDU-GFCCVEGCSA-N 1 1 385.722 4.956 50 0 GJAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2Br)cc1OC ZINC000036395396 570679265 /nfs/dbraw/zinc/67/92/65/570679265.db2.gz JVWHEMSUSMWEIA-QGZVFWFLSA-N 1 1 376.294 4.803 50 0 GJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2Br)cc1OC ZINC000036395396 570679267 /nfs/dbraw/zinc/67/92/67/570679267.db2.gz JVWHEMSUSMWEIA-QGZVFWFLSA-N 1 1 376.294 4.803 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccoc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012581457 570683828 /nfs/dbraw/zinc/68/38/28/570683828.db2.gz PTJYJRJFZLAYAG-HNNXBMFYSA-N 1 1 380.410 4.929 50 0 GJAAMO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000012593750 570688094 /nfs/dbraw/zinc/68/80/94/570688094.db2.gz SQPUDXPZIQEZIU-LJQANCHMSA-N 1 1 377.513 4.661 50 0 GJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccco3)c2)C1)c1cccs1 ZINC000012716192 570704417 /nfs/dbraw/zinc/70/44/17/570704417.db2.gz JKJQLBPZYVXYLP-GOSISDBHSA-N 1 1 380.513 4.650 50 0 GJAAMO Cc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006922839 570706881 /nfs/dbraw/zinc/70/68/81/570706881.db2.gz QKQZEKKTBGAMSI-FGCOXFRFSA-N 1 1 379.500 4.592 50 0 biogenic GJAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cs1 ZINC000012744517 570707616 /nfs/dbraw/zinc/70/76/16/570707616.db2.gz DWSQYTANHDKUKR-MRXNPFEDSA-N 1 1 388.508 4.721 50 0 GJAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cs1 ZINC000012744517 570707617 /nfs/dbraw/zinc/70/76/17/570707617.db2.gz DWSQYTANHDKUKR-MRXNPFEDSA-N 1 1 388.508 4.721 50 0 GJAAMO Cc1ccccc1C[N@@H+](C)[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012792247 570714426 /nfs/dbraw/zinc/71/44/26/570714426.db2.gz FEHZOXPLFYASII-AWEZNQCLSA-N 1 1 379.485 4.746 50 0 GJAAMO Cc1ccccc1C[N@H+](C)[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012792247 570714427 /nfs/dbraw/zinc/71/44/27/570714427.db2.gz FEHZOXPLFYASII-AWEZNQCLSA-N 1 1 379.485 4.746 50 0 GJAAMO COC[C@H]1CCC[N@@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012837012 570723447 /nfs/dbraw/zinc/72/34/47/570723447.db2.gz CHPSXJUYWBSKJZ-IBGZPJMESA-N 1 1 393.506 4.845 50 0 GJAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000007003005 570737859 /nfs/dbraw/zinc/73/78/59/570737859.db2.gz MIJCTSUAEDIICQ-OAHLLOKOSA-N 1 1 387.911 4.778 50 0 GJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(Nc3ccc4c[nH]nc4c3)c2c1C ZINC000012507211 570823044 /nfs/dbraw/zinc/82/30/44/570823044.db2.gz KJOGWIANSUFRAG-UHFFFAOYSA-N 1 1 378.505 4.524 50 0 GJAAMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000007362875 570833943 /nfs/dbraw/zinc/83/39/43/570833943.db2.gz OJMORDKMELMKPD-GDBMZVCRSA-N 1 1 385.558 4.714 50 0 GJAAMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000007362875 570833944 /nfs/dbraw/zinc/83/39/44/570833944.db2.gz OJMORDKMELMKPD-GDBMZVCRSA-N 1 1 385.558 4.714 50 0 GJAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000012558908 570860761 /nfs/dbraw/zinc/86/07/61/570860761.db2.gz PCIFFHOGNFAKGL-OAHLLOKOSA-N 1 1 389.446 4.717 50 0 GJAAMO COc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCC3)cc2)cc1Cl ZINC000012559806 570861814 /nfs/dbraw/zinc/86/18/14/570861814.db2.gz QVMICRZWIIUGCG-OAHLLOKOSA-N 1 1 387.911 4.778 50 0 GJAAMO CC(C)CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccoc1 ZINC000170615983 570874776 /nfs/dbraw/zinc/87/47/76/570874776.db2.gz CXVCQYWFVISCJS-LJQANCHMSA-N 1 1 392.565 4.624 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1)NC1CC1 ZINC000015062913 570874825 /nfs/dbraw/zinc/87/48/25/570874825.db2.gz AXZCCONNMKCOFI-HXUWFJFHSA-N 1 1 392.543 4.536 50 0 GJAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015185457 570883944 /nfs/dbraw/zinc/88/39/44/570883944.db2.gz GDAPNWODJAYIFC-UHFFFAOYSA-N 1 1 392.522 4.514 50 0 GJAAMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000015659198 570901197 /nfs/dbraw/zinc/90/11/97/570901197.db2.gz UHSNXGHTSUFAOZ-PBWIWHKOSA-N 1 1 383.576 4.626 50 0 GJAAMO Brc1ccc(C2([NH2+]Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000089783036 570913048 /nfs/dbraw/zinc/91/30/48/570913048.db2.gz VUSQMVBNKYWSDM-HNNXBMFYSA-N 1 1 379.323 4.536 50 0 GJAAMO Fc1cccc([C@H]([NH2+]Cc2cncs2)c2cccc(Br)c2)c1 ZINC000097019031 570914419 /nfs/dbraw/zinc/91/44/19/570914419.db2.gz LZNBKIMBMFGOBJ-QGZVFWFLSA-N 1 1 377.282 4.924 50 0 GJAAMO O=C(c1cccc(Cl)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000018247485 570952179 /nfs/dbraw/zinc/95/21/79/570952179.db2.gz WLHWOEPDMHMNLY-UHFFFAOYSA-N 1 1 386.282 4.504 50 0 GJAAMO Cc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@@H](C(=O)c3ccccc3)C[N@@H+]2C)cc1 ZINC000106345960 570960567 /nfs/dbraw/zinc/96/05/67/570960567.db2.gz AOCPPFBBSZTNPG-KMDXXIMOSA-N 1 1 383.491 4.980 50 0 GJAAMO Fc1ccc([C@H]2CCCC[N@H+]2Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000019219719 570962662 /nfs/dbraw/zinc/96/26/62/570962662.db2.gz HSWZTMNIKWDZGP-LJQANCHMSA-N 1 1 379.435 4.672 50 0 GJAAMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)Cc1cccs1 ZINC000083865654 570974201 /nfs/dbraw/zinc/97/42/01/570974201.db2.gz UZPWBZQDZYRLJG-QGZVFWFLSA-N 1 1 383.344 4.850 50 0 GJAAMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)Cc1cccs1 ZINC000083865654 570974202 /nfs/dbraw/zinc/97/42/02/570974202.db2.gz UZPWBZQDZYRLJG-QGZVFWFLSA-N 1 1 383.344 4.850 50 0 GJAAMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000241774174 231039866 /nfs/dbraw/zinc/03/98/66/231039866.db2.gz RNROAESHRSCKDJ-XLIONFOSSA-N 1 1 383.561 4.903 50 0 GJAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(Br)c2)cc1 ZINC000015300746 210156178 /nfs/dbraw/zinc/15/61/78/210156178.db2.gz FFYQNOPSRLZKIQ-GOSISDBHSA-N 1 1 376.294 4.803 50 0 GJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(Br)c2)cc1 ZINC000015300746 210156184 /nfs/dbraw/zinc/15/61/84/210156184.db2.gz FFYQNOPSRLZKIQ-GOSISDBHSA-N 1 1 376.294 4.803 50 0 GJAAMO Cc1ccc2c(c1)C[N@H+](Cc1cccc(OCCO)c1)C[C@H](c1ccsc1)O2 ZINC000015000410 210142725 /nfs/dbraw/zinc/14/27/25/210142725.db2.gz IIKHHGQWPGKFNP-HSZRJFAPSA-N 1 1 395.524 4.564 50 0 GJAAMO CN(C(=O)c1cc2ccccc2o1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014980674 210138982 /nfs/dbraw/zinc/13/89/82/210138982.db2.gz JPTNHYGOHHZOFL-OAQYLSRUSA-N 1 1 376.500 4.602 50 0 GJAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc(Cl)c1O ZINC000014970757 210135151 /nfs/dbraw/zinc/13/51/51/210135151.db2.gz UIPGFDHUYANJBF-OAHLLOKOSA-N 1 1 394.298 4.803 50 0 GJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc(Cl)c1O ZINC000014970757 210135156 /nfs/dbraw/zinc/13/51/56/210135156.db2.gz UIPGFDHUYANJBF-OAHLLOKOSA-N 1 1 394.298 4.803 50 0 GJAAMO Clc1ccccc1Cc1noc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)n1 ZINC000013595575 210070457 /nfs/dbraw/zinc/07/04/57/210070457.db2.gz BBGMVTDKNUNVNS-LJQANCHMSA-N 1 1 396.922 4.696 50 0 GJAAMO Clc1ccccc1Cc1noc(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)n1 ZINC000013595575 210070459 /nfs/dbraw/zinc/07/04/59/210070459.db2.gz BBGMVTDKNUNVNS-LJQANCHMSA-N 1 1 396.922 4.696 50 0 GJAAMO C[N@H+](CC(=O)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000013074253 210050299 /nfs/dbraw/zinc/05/02/99/210050299.db2.gz IBPTUGWZLTZRBV-UHFFFAOYSA-N 1 1 378.903 4.678 50 0 GJAAMO C[N@@H+](CC(=O)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000013074253 210050303 /nfs/dbraw/zinc/05/03/03/210050303.db2.gz IBPTUGWZLTZRBV-UHFFFAOYSA-N 1 1 378.903 4.678 50 0 GJAAMO COC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012585866 209981638 /nfs/dbraw/zinc/98/16/38/209981638.db2.gz JZZMMVOGYIZJKR-IBGZPJMESA-N 1 1 381.564 4.993 50 0 GJAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@H]2CCCO2)c1 ZINC000001447698 209329669 /nfs/dbraw/zinc/32/96/69/209329669.db2.gz XMBVQVRWJNIZJO-HXUWFJFHSA-N 1 1 384.483 4.987 50 0 GJAAMO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC000039447931 212040355 /nfs/dbraw/zinc/04/03/55/212040355.db2.gz URDWDNQXQXHJJX-DEOSSOPVSA-N 1 1 398.978 4.626 50 0 GJAAMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2CC2CCCCC2)C1 ZINC000299779407 212035431 /nfs/dbraw/zinc/03/54/31/212035431.db2.gz VJVFFHHPHGBLEF-LQUDEKPSSA-N 1 1 380.576 4.983 50 0 GJAAMO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000002302224 203935838 /nfs/dbraw/zinc/93/58/38/203935838.db2.gz YPSPMGPZNYUFJZ-XZOQPEGZSA-N 1 1 396.425 4.630 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938502 204094647 /nfs/dbraw/zinc/09/46/47/204094647.db2.gz BDQLIBKZJCOPCC-CYBMUJFWSA-N 1 1 387.936 4.707 50 0 GJAAMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000010089079 204330795 /nfs/dbraw/zinc/33/07/95/204330795.db2.gz REFFPUMDUOYREU-INIZCTEOSA-N 1 1 380.822 4.717 50 0 GJAAMO Cc1ccsc1C(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011842503 204357805 /nfs/dbraw/zinc/35/78/05/204357805.db2.gz KYRRHJYITFXUEN-GOSISDBHSA-N 1 1 390.980 4.737 50 0 GJAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c(C)n1 ZINC000012201220 204382320 /nfs/dbraw/zinc/38/23/20/204382320.db2.gz BYDXKZTZWZRTCR-HXUWFJFHSA-N 1 1 387.527 4.558 50 0 GJAAMO C[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1ccc(-n2cccn2)cc1 ZINC000012302932 204391441 /nfs/dbraw/zinc/39/14/41/204391441.db2.gz JXCLMTCSJSSTAR-UHFFFAOYSA-N 1 1 383.455 4.641 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1)NC1CC1 ZINC000014966600 204547996 /nfs/dbraw/zinc/54/79/96/204547996.db2.gz KVAYZWYYKXQVQH-FQEVSTJZSA-N 1 1 376.544 4.589 50 0 GJAAMO CC(C)CC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036095554 205006388 /nfs/dbraw/zinc/00/63/88/205006388.db2.gz ICSHWENBMUIFEG-HXUWFJFHSA-N 1 1 379.903 4.767 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036344746 205010774 /nfs/dbraw/zinc/01/07/74/205010774.db2.gz JAAWZMSWAFQEBL-MBSDFSHPSA-N 1 1 393.506 4.686 50 0 GJAAMO Cc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036343680 205011173 /nfs/dbraw/zinc/01/11/73/205011173.db2.gz ULZBPIVAOKORLR-FDDCHVKYSA-N 1 1 393.506 4.686 50 0 GJAAMO Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCCCC2)c(C)c1 ZINC000036345729 205012727 /nfs/dbraw/zinc/01/27/27/205012727.db2.gz BKXDCIGFZZSSBY-QHCPKHFHSA-N 1 1 393.506 4.606 50 0 GJAAMO CCc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014953218 205180141 /nfs/dbraw/zinc/18/01/41/205180141.db2.gz CIARKAXWHQBTHJ-RUZDIDTESA-N 1 1 392.591 4.651 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc(CC)cc3)cc2)cc(C)[nH+]1 ZINC000064800796 205195633 /nfs/dbraw/zinc/19/56/33/205195633.db2.gz LOZXJISLZWJZCV-UHFFFAOYSA-N 1 1 375.476 4.775 50 0 GJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000065322219 205230571 /nfs/dbraw/zinc/23/05/71/205230571.db2.gz NMOIQTWRWYZEFZ-UHFFFAOYSA-N 1 1 394.494 4.824 50 0 GJAAMO c1nc(CC[N@H+]2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)cs1 ZINC000067756309 205258593 /nfs/dbraw/zinc/25/85/93/205258593.db2.gz GHZAXMBJFGADSV-UHFFFAOYSA-N 1 1 386.524 4.801 50 0 GJAAMO CCc1ncc(C[N@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000071738714 205286910 /nfs/dbraw/zinc/28/69/10/205286910.db2.gz QNLLHELYKPZGGF-INIZCTEOSA-N 1 1 377.454 4.903 50 0 GJAAMO Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](c4nnc5ccccn54)C3)s2)cc1 ZINC000097032578 211357279 /nfs/dbraw/zinc/35/72/79/211357279.db2.gz LQDODGXWDUYLRB-SFHVURJKSA-N 1 1 389.528 4.541 50 0 GJAAMO C[N@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095954911 211285853 /nfs/dbraw/zinc/28/58/53/211285853.db2.gz KTTXLQBMHDBRTG-XJKSGUPXSA-N 1 1 392.113 4.785 50 0 GJAAMO C[N@@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095954911 211285855 /nfs/dbraw/zinc/28/58/55/211285855.db2.gz KTTXLQBMHDBRTG-XJKSGUPXSA-N 1 1 392.113 4.785 50 0 GJAAMO CCCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000086048547 211178359 /nfs/dbraw/zinc/17/83/59/211178359.db2.gz QYYHWXIUILPKSC-UHFFFAOYSA-N 1 1 390.531 4.993 50 0 GJAAMO CC[C@@H]1C[N@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CCO1 ZINC000072411687 211113404 /nfs/dbraw/zinc/11/34/04/211113404.db2.gz KEMWOKLUGFSQGX-JOCHJYFZSA-N 1 1 379.479 4.598 50 0 GJAAMO CC[C@@H]1C[N@@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CCO1 ZINC000072411687 211113409 /nfs/dbraw/zinc/11/34/09/211113409.db2.gz KEMWOKLUGFSQGX-JOCHJYFZSA-N 1 1 379.479 4.598 50 0 GJAAMO COc1c(C)c[nH+]c(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1C ZINC000071759613 211059055 /nfs/dbraw/zinc/05/90/55/211059055.db2.gz KWCHQIGBJVFXRJ-GOSISDBHSA-N 1 1 381.303 4.587 50 0 GJAAMO CC(C)c1csc(C[NH2+][C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)n1 ZINC000067804740 211023096 /nfs/dbraw/zinc/02/30/96/211023096.db2.gz JKSDMNFJGCZCID-KRWDZBQOSA-N 1 1 388.487 4.898 50 0 GJAAMO O=C(Nc1cccc(F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020149328 210319664 /nfs/dbraw/zinc/31/96/64/210319664.db2.gz JULBFAFYDDWVHH-UHFFFAOYSA-N 1 1 389.474 4.765 50 0 GJAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000020138186 210317347 /nfs/dbraw/zinc/31/73/47/210317347.db2.gz WUCFNSJDWKSVDI-MRXNPFEDSA-N 1 1 383.442 4.743 50 0 GJAAMO CN(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019908910 210307779 /nfs/dbraw/zinc/30/77/79/210307779.db2.gz DCCDWGKQOYJASI-UHFFFAOYSA-N 1 1 385.511 4.650 50 0 GJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000011822057 221129715 /nfs/dbraw/zinc/12/97/15/221129715.db2.gz AJQVVIONEDGXIE-OAQYLSRUSA-N 1 1 393.512 4.929 50 0 GJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000011822057 221129722 /nfs/dbraw/zinc/12/97/22/221129722.db2.gz AJQVVIONEDGXIE-OAQYLSRUSA-N 1 1 393.512 4.929 50 0 GJAAMO Clc1ccc(-c2noc(C[NH+]3CCC(OCc4ccccc4)CC3)n2)cc1 ZINC000011841609 221132640 /nfs/dbraw/zinc/13/26/40/221132640.db2.gz PGNBAKCHVRSGSM-UHFFFAOYSA-N 1 1 383.879 4.571 50 0 GJAAMO O=C1O[C@H](C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CN1c1ccccc1 ZINC000246498322 534820908 /nfs/dbraw/zinc/82/09/08/534820908.db2.gz AVMRGZGIBIDZSR-KNQAVFIVSA-N 1 1 375.472 4.720 50 0 GJAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000000635796 570212516 /nfs/dbraw/zinc/21/25/16/570212516.db2.gz NAWVBLZNAIAHLQ-YADHBBJMSA-N 1 1 398.491 4.861 50 0 GJAAMO COc1cc2nc(C3CCC3)nc(NCCC[N@H+]3CCCC[C@H]3C)c2cc1OC ZINC000085425762 570228426 /nfs/dbraw/zinc/22/84/26/570228426.db2.gz UAEFUIHBOKTOEZ-MRXNPFEDSA-N 1 1 398.551 4.591 50 0 GJAAMO CSc1ccccc1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012856478 570267214 /nfs/dbraw/zinc/26/72/14/570267214.db2.gz KUYLMCTTZPNFPJ-UHFFFAOYSA-N 1 1 398.528 4.521 50 0 GJAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2)cc1 ZINC000012920926 570294868 /nfs/dbraw/zinc/29/48/68/570294868.db2.gz BWWCGMCKRBVLEJ-RUZDIDTESA-N 1 1 386.495 4.502 50 0 GJAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1 ZINC000021795395 570296217 /nfs/dbraw/zinc/29/62/17/570296217.db2.gz MKNVGHQRCMMAOT-UHFFFAOYSA-N 1 1 376.464 4.547 50 0 GJAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)c1 ZINC000021795395 570296220 /nfs/dbraw/zinc/29/62/20/570296220.db2.gz MKNVGHQRCMMAOT-UHFFFAOYSA-N 1 1 376.464 4.547 50 0 GJAAMO O=C(Nc1ccccc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022196325 570307314 /nfs/dbraw/zinc/30/73/14/570307314.db2.gz HPBWDOHCNFJAHL-UHFFFAOYSA-N 1 1 389.474 4.765 50 0 GJAAMO C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941984 570315575 /nfs/dbraw/zinc/31/55/75/570315575.db2.gz NFEWQCPHDXDUGW-QFIPXVFZSA-N 1 1 381.903 4.879 50 0 GJAAMO C[NH+](C)C[C@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 ZINC000022789449 570327850 /nfs/dbraw/zinc/32/78/50/570327850.db2.gz ZIVTYNYWZTVDRW-LOSJGSFVSA-N 1 1 397.522 4.984 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000053721944 570338830 /nfs/dbraw/zinc/33/88/30/570338830.db2.gz CQJSSSIPTIUMBK-QGZVFWFLSA-N 1 1 398.551 4.703 50 0 GJAAMO C[N@H+]1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S@](C)=O)cc21 ZINC000003831042 570351205 /nfs/dbraw/zinc/35/12/05/570351205.db2.gz SLVMESMUVMCQIY-YHAMSUFESA-N 1 1 386.586 4.901 50 0 world GJAAMO Cc1c([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000023339200 570355324 /nfs/dbraw/zinc/35/53/24/570355324.db2.gz UVGVVSUHKUUZQE-HXUWFJFHSA-N 1 1 388.559 4.538 50 0 GJAAMO Cc1[nH+]ccn1CC1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1 ZINC000219545876 570366334 /nfs/dbraw/zinc/36/63/34/570366334.db2.gz PPFVGUIPDFAZPQ-UHFFFAOYSA-N 1 1 377.463 4.550 50 0 GJAAMO COc1cc(C[NH2+][C@H](C)c2ccccc2Br)cc(Cl)c1OC ZINC000022777726 570377292 /nfs/dbraw/zinc/37/72/92/570377292.db2.gz IMMKIBGHYUGSAN-LLVKDONJSA-N 1 1 384.701 4.971 50 0 GJAAMO O=C(CCc1ccc2ccccc2c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061284841 570397544 /nfs/dbraw/zinc/39/75/44/570397544.db2.gz VZZSOIZINXMYMW-UHFFFAOYSA-N 1 1 390.552 4.960 50 0 GJAAMO Fc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1Br ZINC000244866498 570433946 /nfs/dbraw/zinc/43/39/46/570433946.db2.gz VXCVNBYMELAWRG-VQTJNVASSA-N 1 1 395.360 4.817 50 0 GJAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCc2ccccc21 ZINC000029482875 570474660 /nfs/dbraw/zinc/47/46/60/570474660.db2.gz FOZCVZSYQCAHBM-KRWDZBQOSA-N 1 1 382.813 4.917 50 0 GJAAMO O[C@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@@H+](Cc1ccccc1Cl)CC2 ZINC000005184680 570497569 /nfs/dbraw/zinc/49/75/69/570497569.db2.gz DHAIHTADTTVAFV-LEOXJPRUSA-N 1 1 399.918 4.937 50 0 GJAAMO Clc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000054360503 570500772 /nfs/dbraw/zinc/50/07/72/570500772.db2.gz NIEJQXUOGMJJIF-UHFFFAOYSA-N 1 1 398.963 4.546 50 0 GJAAMO COc1ccc(C[N@@H+](C[C@H](O)COc2cccc3[nH]cc(C)c32)C(C)(C)C)cc1 ZINC000003109437 570503916 /nfs/dbraw/zinc/50/39/16/570503916.db2.gz TYUMCLALIPLROE-IBGZPJMESA-N 1 1 396.531 4.525 50 0 GJAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065611 570526027 /nfs/dbraw/zinc/52/60/27/570526027.db2.gz NSNDGQNOGGFKDR-IBGZPJMESA-N 1 1 385.552 4.724 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065611 570526032 /nfs/dbraw/zinc/52/60/32/570526032.db2.gz NSNDGQNOGGFKDR-IBGZPJMESA-N 1 1 385.552 4.724 50 0 GJAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1 ZINC000064800814 570547690 /nfs/dbraw/zinc/54/76/90/570547690.db2.gz BLYQWCATSDJZQC-UHFFFAOYSA-N 1 1 387.487 4.690 50 0 GJAAMO Cc1cccc(NC(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022906868 570563577 /nfs/dbraw/zinc/56/35/77/570563577.db2.gz NYCGWSPCGOUWDX-NRFANRHFSA-N 1 1 375.472 4.509 50 0 GJAAMO Cc1cccc(NC(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022906868 570563578 /nfs/dbraw/zinc/56/35/78/570563578.db2.gz NYCGWSPCGOUWDX-NRFANRHFSA-N 1 1 375.472 4.509 50 0 GJAAMO Cc1cccc(NC(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907677 570564314 /nfs/dbraw/zinc/56/43/14/570564314.db2.gz BXORFMYRJPHIAS-OAQYLSRUSA-N 1 1 391.540 4.978 50 0 GJAAMO Cc1cccc(NC(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907677 570564318 /nfs/dbraw/zinc/56/43/18/570564318.db2.gz BXORFMYRJPHIAS-OAQYLSRUSA-N 1 1 391.540 4.978 50 0 GJAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308217 570606169 /nfs/dbraw/zinc/60/61/69/570606169.db2.gz PQICALLGQACETR-HXUWFJFHSA-N 1 1 391.515 4.615 50 0 GJAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012091839 570607674 /nfs/dbraw/zinc/60/76/74/570607674.db2.gz MSAQXYNLYYNVPJ-MRXNPFEDSA-N 1 1 399.947 4.991 50 0 GJAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012091839 570607677 /nfs/dbraw/zinc/60/76/77/570607677.db2.gz MSAQXYNLYYNVPJ-MRXNPFEDSA-N 1 1 399.947 4.991 50 0 GJAAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)c1 ZINC000043083336 570625710 /nfs/dbraw/zinc/62/57/10/570625710.db2.gz HLKOWYPBZNROHE-KRWDZBQOSA-N 1 1 383.442 4.743 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](C)O)C(C)C ZINC000036345863 570627952 /nfs/dbraw/zinc/62/79/52/570627952.db2.gz JUYUUEJQCJNHRS-LJQANCHMSA-N 1 1 393.531 4.873 50 0 GJAAMO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(OC)ccc2OC)c1 ZINC000036348342 570629730 /nfs/dbraw/zinc/62/97/30/570629730.db2.gz IGPPMVCZBKXJRU-DEOSSOPVSA-N 1 1 392.499 4.509 50 0 GJAAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(OC)ccc2OC)c1 ZINC000036348342 570629732 /nfs/dbraw/zinc/62/97/32/570629732.db2.gz IGPPMVCZBKXJRU-DEOSSOPVSA-N 1 1 392.499 4.509 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012299142 570635160 /nfs/dbraw/zinc/63/51/60/570635160.db2.gz YQBLNIVTGJSNHP-HNNXBMFYSA-N 1 1 380.410 4.929 50 0 GJAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c(C)nn(C(C)C)c3C)C2)cc1 ZINC000012301602 570636412 /nfs/dbraw/zinc/63/64/12/570636412.db2.gz IOCAABZTXJMNBJ-IBGZPJMESA-N 1 1 385.577 4.898 50 0 GJAAMO Cc1ccc(-c2nc(C[NH+]3CCC(OCc4cccnc4)CC3)c(C)o2)s1 ZINC000012318182 570642426 /nfs/dbraw/zinc/64/24/26/570642426.db2.gz JVDSQDNUCJDJAW-UHFFFAOYSA-N 1 1 383.517 4.596 50 0 GJAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCC[C@H](C(=O)CC(C)C)C1 ZINC000012431233 570659705 /nfs/dbraw/zinc/65/97/05/570659705.db2.gz JXNOILKXETYPOI-HNNXBMFYSA-N 1 1 376.447 4.755 50 0 GJAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCC[C@H](C(=O)CC(C)C)C1 ZINC000012431233 570659707 /nfs/dbraw/zinc/65/97/07/570659707.db2.gz JXNOILKXETYPOI-HNNXBMFYSA-N 1 1 376.447 4.755 50 0 GJAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+](CCO)Cc1ccccc1 ZINC000012432389 570659971 /nfs/dbraw/zinc/65/99/71/570659971.db2.gz OBKBOKJMMYIRAO-UHFFFAOYSA-N 1 1 390.405 4.663 50 0 GJAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](CCO)Cc1ccccc1 ZINC000012432389 570659975 /nfs/dbraw/zinc/65/99/75/570659975.db2.gz OBKBOKJMMYIRAO-UHFFFAOYSA-N 1 1 390.405 4.663 50 0 GJAAMO Fc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1 ZINC000012437729 570662616 /nfs/dbraw/zinc/66/26/16/570662616.db2.gz AHEMQOAXEHTFCX-SFHVURJKSA-N 1 1 386.421 4.571 50 0 GJAAMO CCC[N@@H+](Cc1ccc(Sc2nncn2C)o1)Cc1ccc(SC)cc1 ZINC000055036016 570679745 /nfs/dbraw/zinc/67/97/45/570679745.db2.gz PQQLZZOKEULVDD-UHFFFAOYSA-N 1 1 388.562 4.693 50 0 GJAAMO COc1cccc([C@@H](C)[N@H+](C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000012589048 570686141 /nfs/dbraw/zinc/68/61/41/570686141.db2.gz CNXOMKHQYYPQNL-CQSZACIVSA-N 1 1 384.451 4.999 50 0 GJAAMO COc1cccc([C@@H](C)[N@@H+](C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000012589048 570686144 /nfs/dbraw/zinc/68/61/44/570686144.db2.gz CNXOMKHQYYPQNL-CQSZACIVSA-N 1 1 384.451 4.999 50 0 GJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000016042921 570686273 /nfs/dbraw/zinc/68/62/73/570686273.db2.gz XOZQFEQVRDICDF-QZHMZIBCSA-N 1 1 393.527 4.782 50 0 biogenic GJAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000016042923 570686337 /nfs/dbraw/zinc/68/63/37/570686337.db2.gz XOZQFEQVRDICDF-FZSQWFJSSA-N 1 1 393.527 4.782 50 0 biogenic GJAAMO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012754620 570710218 /nfs/dbraw/zinc/71/02/18/570710218.db2.gz CGJMDQWDEZNYFH-JIWMQAFSSA-N 1 1 395.547 4.713 50 0 GJAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](C)Cc3sccc3C)cc2)cc1 ZINC000058169734 570714769 /nfs/dbraw/zinc/71/47/69/570714769.db2.gz NKEFYOYEYCFIII-UHFFFAOYSA-N 1 1 380.513 4.949 50 0 GJAAMO COc1ccc2c(C)cc3nn(C[N@@H+]4CCC[C@H]5CCCC[C@@H]54)c(=S)n3c2c1 ZINC000013097675 570745913 /nfs/dbraw/zinc/74/59/13/570745913.db2.gz VEAGFMGVFNJHKI-APWZRJJASA-N 1 1 396.560 4.948 50 0 GJAAMO COc1ccc2c(C)cc3nn(C[N@H+]4CCC[C@H]5CCCC[C@@H]54)c(=S)n3c2c1 ZINC000013097675 570745914 /nfs/dbraw/zinc/74/59/14/570745914.db2.gz VEAGFMGVFNJHKI-APWZRJJASA-N 1 1 396.560 4.948 50 0 GJAAMO CCSC[C@@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000206792850 570752544 /nfs/dbraw/zinc/75/25/44/570752544.db2.gz HSHWAVRMDTWTJX-FQEVSTJZSA-N 1 1 375.582 4.517 50 0 GJAAMO O=c1nc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000007285895 570824741 /nfs/dbraw/zinc/82/47/41/570824741.db2.gz JIGRSGHUWHGBCZ-NVXWUHKLSA-N 1 1 379.529 4.664 50 0 GJAAMO O=c1nc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000007285895 570824745 /nfs/dbraw/zinc/82/47/45/570824745.db2.gz JIGRSGHUWHGBCZ-NVXWUHKLSA-N 1 1 379.529 4.664 50 0 GJAAMO CCC[N@H+](CC1CC1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000012543266 570844118 /nfs/dbraw/zinc/84/41/18/570844118.db2.gz QMZWFEVZHRBOLP-UHFFFAOYSA-N 1 1 379.533 4.545 50 0 GJAAMO CCC[N@@H+](CC1CC1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000012543266 570844122 /nfs/dbraw/zinc/84/41/22/570844122.db2.gz QMZWFEVZHRBOLP-UHFFFAOYSA-N 1 1 379.533 4.545 50 0 GJAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000012558912 570860903 /nfs/dbraw/zinc/86/09/03/570860903.db2.gz PCIFFHOGNFAKGL-HNNXBMFYSA-N 1 1 389.446 4.717 50 0 GJAAMO Cc1cc(C[N@@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)on1 ZINC000014971152 570868038 /nfs/dbraw/zinc/86/80/38/570868038.db2.gz UZHWIUIZXKQJDZ-UHFFFAOYSA-N 1 1 390.462 4.915 50 0 GJAAMO Cc1cc(C[N@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)on1 ZINC000014971152 570868040 /nfs/dbraw/zinc/86/80/40/570868040.db2.gz UZHWIUIZXKQJDZ-UHFFFAOYSA-N 1 1 390.462 4.915 50 0 GJAAMO COc1ccc(F)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1 ZINC000014986010 570869576 /nfs/dbraw/zinc/86/95/76/570869576.db2.gz NWZSXSZTXQKWJY-SFHVURJKSA-N 1 1 379.479 4.912 50 0 GJAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000170613354 570871339 /nfs/dbraw/zinc/87/13/39/570871339.db2.gz PNUQRKVMSHZAKR-CJNGLKHVSA-N 1 1 396.478 4.914 50 0 GJAAMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c1OC ZINC000015073277 570877941 /nfs/dbraw/zinc/87/79/41/570877941.db2.gz XCMTWAWLSYNABG-CQSZACIVSA-N 1 1 385.895 4.702 50 0 GJAAMO CCCOc1c(Cl)cc(CN[C@H](C[NH+](C)C)c2ccccc2)cc1OC ZINC000096971443 570885164 /nfs/dbraw/zinc/88/51/64/570885164.db2.gz IGOKVFMKQPTQOL-LJQANCHMSA-N 1 1 376.928 4.530 50 0 GJAAMO Cc1ccc([C@@H]2C[N@H+](Cc3ccco3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)cc1 ZINC000248112869 570906007 /nfs/dbraw/zinc/90/60/07/570906007.db2.gz TZNFWXYOBBKSAO-UPVQGACJSA-N 1 1 396.575 4.944 50 0 GJAAMO Cc1cc(C[N@H+](C)[C@H](CCO)c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000089600664 570907407 /nfs/dbraw/zinc/90/74/07/570907407.db2.gz NLUHEAHCFMLPLR-OAQYLSRUSA-N 1 1 381.907 4.661 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000012650994 570946854 /nfs/dbraw/zinc/94/68/54/570946854.db2.gz DHSAIHYCAOTDIO-IBGZPJMESA-N 1 1 387.527 4.899 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000012650994 570946859 /nfs/dbraw/zinc/94/68/59/570946859.db2.gz DHSAIHYCAOTDIO-IBGZPJMESA-N 1 1 387.527 4.899 50 0 GJAAMO C[N@H+]1CCC[C@H](COC(=O)CCc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000107137937 570971731 /nfs/dbraw/zinc/97/17/31/570971731.db2.gz XWSHGVUTEFJWQX-OXQOHEQNSA-N 1 1 395.421 4.857 50 0 GJAAMO C[N@H+](Cc1cc(Cl)nc(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108067871 570981203 /nfs/dbraw/zinc/98/12/03/570981203.db2.gz KTTXLQBMHDBRTG-CJNGLKHVSA-N 1 1 392.113 4.785 50 0 GJAAMO C[N@@H+](Cc1cc(Cl)nc(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108067871 570981207 /nfs/dbraw/zinc/98/12/07/570981207.db2.gz KTTXLQBMHDBRTG-CJNGLKHVSA-N 1 1 392.113 4.785 50 0 GJAAMO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000019540080 571000414 /nfs/dbraw/zinc/00/04/14/571000414.db2.gz PVVPFXSWTPEYEB-UHFFFAOYSA-N 1 1 399.604 4.751 50 0 GJAAMO CCc1ccc2c(C[N@H+]3CCC[C@H]3c3cc(OC)ccc3OC)cc(=O)oc2c1 ZINC000007718220 571020553 /nfs/dbraw/zinc/02/05/53/571020553.db2.gz JOXPIAOAWKRIJZ-NRFANRHFSA-N 1 1 393.483 4.710 50 0 GJAAMO Cc1ccc2nc(C[N@H+](C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc(=O)n2c1 ZINC000007777917 571035824 /nfs/dbraw/zinc/03/58/24/571035824.db2.gz BMMWRGFJTSPQKL-UHFFFAOYSA-N 1 1 393.874 4.548 50 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ZINC000012757900 210003371 /nfs/dbraw/zinc/00/33/71/210003371.db2.gz HKXCWBAEABWSOQ-OAQYLSRUSA-N 1 1 391.559 4.563 50 0 GJAAMO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3c[nH]c4ccccc34)C2)cc1 ZINC000012757900 210003375 /nfs/dbraw/zinc/00/33/75/210003375.db2.gz HKXCWBAEABWSOQ-OAQYLSRUSA-N 1 1 391.559 4.563 50 0 GJAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3c[nH]c4ccccc34)C2)cc1 ZINC000012757900 210003378 /nfs/dbraw/zinc/00/33/78/210003378.db2.gz HKXCWBAEABWSOQ-OAQYLSRUSA-N 1 1 391.559 4.563 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)c(OC)c1 ZINC000007740013 209743226 /nfs/dbraw/zinc/74/32/26/209743226.db2.gz HUFZZYZGUFSFSS-NRFANRHFSA-N 1 1 393.483 4.764 50 0 GJAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000000635794 209252779 /nfs/dbraw/zinc/25/27/79/209252779.db2.gz NAWVBLZNAIAHLQ-VXKWHMMOSA-N 1 1 398.491 4.861 50 0 GJAAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H](C)[C@@]1(O)Cc1ccccc1 ZINC000239248061 209212295 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GJAAMO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000010258802 204332530 /nfs/dbraw/zinc/33/25/30/204332530.db2.gz NRYCQFDQZCAKOL-UHFFFAOYSA-N 1 1 396.293 4.872 50 0 GJAAMO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000010258802 204332534 /nfs/dbraw/zinc/33/25/34/204332534.db2.gz NRYCQFDQZCAKOL-UHFFFAOYSA-N 1 1 396.293 4.872 50 0 GJAAMO C[C@@H](CC[N@H+]1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1)c1ccccc1 ZINC000011913685 204361349 /nfs/dbraw/zinc/36/13/49/204361349.db2.gz UOKLAXQCSHMGJM-UQBPGWFLSA-N 1 1 388.511 4.552 50 0 GJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)[C@H]2CCOC2)c(C)s1 ZINC000012050398 204369253 /nfs/dbraw/zinc/36/92/53/204369253.db2.gz OJEVOHRVDYDNQU-KRWDZBQOSA-N 1 1 385.508 4.577 50 0 GJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CCCC1 ZINC000012090237 204371391 /nfs/dbraw/zinc/37/13/91/204371391.db2.gz FOAUJIYKAKWGPA-SFHVURJKSA-N 1 1 396.497 4.609 50 0 GJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102528 205006748 /nfs/dbraw/zinc/00/67/48/205006748.db2.gz RMPQAPGSQUFSDW-QHCPKHFHSA-N 1 1 379.475 4.576 50 0 GJAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301568 205010299 /nfs/dbraw/zinc/01/02/99/205010299.db2.gz XBHMDFIMTGLSNX-FQEVSTJZSA-N 1 1 393.531 4.861 50 0 GJAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340940 205010584 /nfs/dbraw/zinc/01/05/84/205010584.db2.gz MXBDNNMPCUPFHZ-NRFANRHFSA-N 1 1 399.897 4.643 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@H](c3ccccc3)C2)cc1C ZINC000036341583 205011202 /nfs/dbraw/zinc/01/12/02/205011202.db2.gz IPHKBOSCQMRMDI-RDPSFJRHSA-N 1 1 389.543 4.856 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)cc1O ZINC000037522289 205027534 /nfs/dbraw/zinc/02/75/34/205027534.db2.gz UGFWBHZXNMTAMG-XMMPIXPASA-N 1 1 376.500 4.814 50 0 GJAAMO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000037580749 205029453 /nfs/dbraw/zinc/02/94/53/205029453.db2.gz DIZSEDVSABDKKJ-UHFFFAOYSA-N 1 1 376.422 4.512 50 0 GJAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)N2CCCC2)co1)Cc1ccc(Cl)cc1 ZINC000040401475 205064132 /nfs/dbraw/zinc/06/41/32/205064132.db2.gz PLTSLQJSBYYMKO-INIZCTEOSA-N 1 1 389.927 4.611 50 0 GJAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)N2CCCC2)co1)Cc1ccc(Cl)cc1 ZINC000040401475 205064137 /nfs/dbraw/zinc/06/41/37/205064137.db2.gz PLTSLQJSBYYMKO-INIZCTEOSA-N 1 1 389.927 4.611 50 0 GJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000044979126 205090359 /nfs/dbraw/zinc/09/03/59/205090359.db2.gz XCSIMNWWEXAJGB-MRXNPFEDSA-N 1 1 389.858 4.510 50 0 GJAAMO CC[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000057563256 205159783 /nfs/dbraw/zinc/15/97/83/205159783.db2.gz KRARIKFUPIXUTP-UHFFFAOYSA-N 1 1 375.497 4.674 50 0 GJAAMO CC[N@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000057563256 205159788 /nfs/dbraw/zinc/15/97/88/205159788.db2.gz KRARIKFUPIXUTP-UHFFFAOYSA-N 1 1 375.497 4.674 50 0 GJAAMO C[C@H]([NH2+]Cc1ccccc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000058160538 205165204 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O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000022766089 205964730 /nfs/dbraw/zinc/96/47/30/205964730.db2.gz YZBHQADPQLNXKY-OAQYLSRUSA-N 1 1 398.478 4.556 50 0 GJAAMO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000022766089 205964735 /nfs/dbraw/zinc/96/47/35/205964735.db2.gz YZBHQADPQLNXKY-OAQYLSRUSA-N 1 1 398.478 4.556 50 0 GJAAMO CCc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)c2ccccc2)c2cccs2)cc1 ZINC000029939441 206073161 /nfs/dbraw/zinc/07/31/61/206073161.db2.gz LKICQLZRSSVPIC-SBUREZEXSA-N 1 1 378.541 4.867 50 0 GJAAMO CC[N@H+]1CC[C@@H](N(C)Cc2cc3ccc(SC)cc3nc2Cl)[C@@H](C)C1 ZINC000229848062 206107464 /nfs/dbraw/zinc/10/74/64/206107464.db2.gz PGEKTUCFYIHRFP-IFXJQAMLSA-N 1 1 377.985 4.772 50 0 GJAAMO Cc1ccccc1-c1nc(C[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)no1 ZINC000097164462 211361090 /nfs/dbraw/zinc/36/10/90/211361090.db2.gz VYDIIWWQWPHIJT-HNNXBMFYSA-N 1 1 387.430 4.757 50 0 GJAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000095504586 211255685 /nfs/dbraw/zinc/25/56/85/211255685.db2.gz WOQOHWCYZSEWCS-MRXNPFEDSA-N 1 1 389.902 4.813 50 0 GJAAMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089618509 211182254 /nfs/dbraw/zinc/18/22/54/211182254.db2.gz UOQYSAMZKUSTLT-KRWDZBQOSA-N 1 1 389.499 4.601 50 0 GJAAMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089618509 211182258 /nfs/dbraw/zinc/18/22/58/211182258.db2.gz UOQYSAMZKUSTLT-KRWDZBQOSA-N 1 1 389.499 4.601 50 0 GJAAMO Cc1c2cc(CNc3nc(N(C)C)cc[nH+]3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071440354 211048745 /nfs/dbraw/zinc/04/87/45/211048745.db2.gz AYUNSHXBVZZSLP-UHFFFAOYSA-N 1 1 375.451 4.751 50 0 GJAAMO CC(C)c1csc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)n1 ZINC000067804739 211022590 /nfs/dbraw/zinc/02/25/90/211022590.db2.gz JKSDMNFJGCZCID-QGZVFWFLSA-N 1 1 388.487 4.898 50 0 GJAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000020601159 210349701 /nfs/dbraw/zinc/34/97/01/210349701.db2.gz RFTXOBFYUXYLMM-SFHVURJKSA-N 1 1 391.540 4.894 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)c(C)o2)cc1 ZINC000019791471 210295857 /nfs/dbraw/zinc/29/58/57/210295857.db2.gz WTMWVGUPZHLANA-OAQYLSRUSA-N 1 1 390.483 4.816 50 0 GJAAMO Cc1ccc(-n2cc(C[N@@H+](C)CCC(C)(C)O)c(-c3ccc(F)cc3)n2)cc1 ZINC000072474616 222264752 /nfs/dbraw/zinc/26/47/52/222264752.db2.gz QKXNEQXTDFJGJZ-UHFFFAOYSA-N 1 1 381.495 4.580 50 0 GJAAMO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@H+](CCc2ccccn2)C1 ZINC000085393491 570225318 /nfs/dbraw/zinc/22/53/18/570225318.db2.gz LIPOVYOIXSATGY-UHFFFAOYSA-N 1 1 396.538 4.583 50 0 GJAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCn3ccnc3)c(C)o2)cc1C ZINC000020450579 570256964 /nfs/dbraw/zinc/25/69/64/570256964.db2.gz OPLANKBAPQZZIE-FQEVSTJZSA-N 1 1 394.519 4.608 50 0 GJAAMO CCOc1ccc(/C=C2/[NH2+]CCc3cc(OCC)c(OCC)cc32)cc1OCC ZINC000100042629 570265449 /nfs/dbraw/zinc/26/54/49/570265449.db2.gz OMFNSKIUKYOYRG-DEDYPNTBSA-N 1 1 397.515 4.925 50 0 world GJAAMO C[N@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@@H](O)c1ccccc1 ZINC000020536092 570266338 /nfs/dbraw/zinc/26/63/38/570266338.db2.gz CTMZIJYDQLYSAO-XMMPIXPASA-N 1 1 383.495 4.909 50 0 GJAAMO Clc1ccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5o4)CC3)n2)cc1 ZINC000012893311 570286153 /nfs/dbraw/zinc/28/61/53/570286153.db2.gz WUCVYBIQWACENC-UHFFFAOYSA-N 1 1 394.862 4.911 50 0 GJAAMO Cc1c([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000023339202 570355262 /nfs/dbraw/zinc/35/52/62/570355262.db2.gz UVGVVSUHKUUZQE-FQEVSTJZSA-N 1 1 388.559 4.538 50 0 GJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)c(OC)c1 ZINC000006300086 570365279 /nfs/dbraw/zinc/36/52/79/570365279.db2.gz HHQJJPINVCIKAC-PZUNEJSGSA-N 1 1 395.543 4.881 50 0 biogenic GJAAMO CCCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000035476080 570365463 /nfs/dbraw/zinc/36/54/63/570365463.db2.gz SWLKPZIYAFMADW-UHFFFAOYSA-N 1 1 382.552 4.951 50 0 GJAAMO CC(C)(C)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000004299515 570365968 /nfs/dbraw/zinc/36/59/68/570365968.db2.gz LNHFNUMBVNEEHU-UHFFFAOYSA-N 1 1 383.511 4.863 50 0 GJAAMO CC(C)(C)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000004299515 570365973 /nfs/dbraw/zinc/36/59/73/570365973.db2.gz LNHFNUMBVNEEHU-UHFFFAOYSA-N 1 1 383.511 4.863 50 0 GJAAMO c1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000024601903 570387270 /nfs/dbraw/zinc/38/72/70/570387270.db2.gz LJQYRDXTOZPAPI-INIZCTEOSA-N 1 1 376.485 4.726 50 0 GJAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc3ccccc3cc2OC(F)F)cn1 ZINC000122814463 570398222 /nfs/dbraw/zinc/39/82/22/570398222.db2.gz CUGLFNKRNNKPLL-UHFFFAOYSA-N 1 1 394.381 4.583 50 0 GJAAMO c1ccc([C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)c2ccccn2)cc1 ZINC000030544686 570490841 /nfs/dbraw/zinc/49/08/41/570490841.db2.gz KBOAZTGUBJJFAQ-VWLOTQADSA-N 1 1 381.479 4.935 50 0 GJAAMO CC(C)CC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031079 570517493 /nfs/dbraw/zinc/51/74/93/570517493.db2.gz CTMUPZCITTVMFQ-LJQANCHMSA-N 1 1 379.903 4.767 50 0 GJAAMO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c(Cl)c1OC ZINC000011762320 570581694 /nfs/dbraw/zinc/58/16/94/570581694.db2.gz OTNLDWARHDEPAZ-KRWDZBQOSA-N 1 1 378.875 4.573 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c(Cl)c1OC ZINC000011762320 570581696 /nfs/dbraw/zinc/58/16/96/570581696.db2.gz OTNLDWARHDEPAZ-KRWDZBQOSA-N 1 1 378.875 4.573 50 0 GJAAMO Fc1ccc(F)c(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011878658 570590572 /nfs/dbraw/zinc/59/05/72/570590572.db2.gz WAIIKTMFLRWDCM-QFIPXVFZSA-N 1 1 392.534 4.600 50 0 GJAAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000012054723 570602194 /nfs/dbraw/zinc/60/21/94/570602194.db2.gz BZGJGSXQZJKEPA-LJQANCHMSA-N 1 1 379.891 4.621 50 0 GJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)cc1 ZINC000012073983 570604550 /nfs/dbraw/zinc/60/45/50/570604550.db2.gz DHILJFHDRJSJFX-QHCPKHFHSA-N 1 1 382.573 5.000 50 0 GJAAMO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000012074843 570605056 /nfs/dbraw/zinc/60/50/56/570605056.db2.gz BWLZUMSCBIXZQL-SFHVURJKSA-N 1 1 395.503 4.800 50 0 GJAAMO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000012074843 570605057 /nfs/dbraw/zinc/60/50/57/570605057.db2.gz BWLZUMSCBIXZQL-SFHVURJKSA-N 1 1 395.503 4.800 50 0 GJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](C)O ZINC000036308547 570605076 /nfs/dbraw/zinc/60/50/76/570605076.db2.gz VQASLUTXVAQBJZ-SFHVURJKSA-N 1 1 379.504 4.566 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1O ZINC000042915202 570624091 /nfs/dbraw/zinc/62/40/91/570624091.db2.gz JAXFDTUPZMGGSH-KRWDZBQOSA-N 1 1 397.906 4.824 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340965 570625350 /nfs/dbraw/zinc/62/53/50/570625350.db2.gz KLOIZAAVTTZKJF-JOCHJYFZSA-N 1 1 395.934 4.730 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2C)cc1OC ZINC000036348298 570629786 /nfs/dbraw/zinc/62/97/86/570629786.db2.gz KQDFLSANHVTJCG-DEOSSOPVSA-N 1 1 376.500 4.809 50 0 GJAAMO O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000012300070 570635814 /nfs/dbraw/zinc/63/58/14/570635814.db2.gz ODMGXFKBZWELFQ-UHFFFAOYSA-N 1 1 395.547 4.966 50 0 GJAAMO Cc1occc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012307755 570639870 /nfs/dbraw/zinc/63/98/70/570639870.db2.gz WQCDWBKBEGPIJT-OAQYLSRUSA-N 1 1 395.547 4.670 50 0 GJAAMO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)[nH]n1 ZINC000012315921 570641125 /nfs/dbraw/zinc/64/11/25/570641125.db2.gz LMCYEGSOYNQVMV-OAQYLSRUSA-N 1 1 388.515 4.544 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)n1 ZINC000012387806 570652298 /nfs/dbraw/zinc/65/22/98/570652298.db2.gz YCCMAICKBXQJEK-OAQYLSRUSA-N 1 1 399.538 4.699 50 0 GJAAMO Cn1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)cn1 ZINC000012430784 570658951 /nfs/dbraw/zinc/65/89/51/570658951.db2.gz CSSNYHCNBWXARB-UHFFFAOYSA-N 1 1 377.536 4.500 50 0 GJAAMO Cn1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)cn1 ZINC000012430784 570658955 /nfs/dbraw/zinc/65/89/55/570658955.db2.gz CSSNYHCNBWXARB-UHFFFAOYSA-N 1 1 377.536 4.500 50 0 GJAAMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c1OC ZINC000012431330 570659453 /nfs/dbraw/zinc/65/94/53/570659453.db2.gz UXUFCVVSAQSBQV-KRWDZBQOSA-N 1 1 385.529 4.521 50 0 GJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1)c1cccs1 ZINC000012442560 570665161 /nfs/dbraw/zinc/66/51/61/570665161.db2.gz QJEWDVFNQUEAJK-LJQANCHMSA-N 1 1 398.572 4.712 50 0 GJAAMO Cc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)[C@H](C(=O)c3ccccc3)C[N@@H+]2C)cc1 ZINC000052530364 570671958 /nfs/dbraw/zinc/67/19/58/570671958.db2.gz AOCPPFBBSZTNPG-SGNDLWITSA-N 1 1 383.491 4.980 50 0 GJAAMO CC(C)n1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012478948 570674279 /nfs/dbraw/zinc/67/42/79/570674279.db2.gz LJCKXFCAMFISHW-QGZVFWFLSA-N 1 1 379.426 4.578 50 0 GJAAMO CC(C)n1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012478948 570674282 /nfs/dbraw/zinc/67/42/82/570674282.db2.gz LJCKXFCAMFISHW-QGZVFWFLSA-N 1 1 379.426 4.578 50 0 GJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)cc1 ZINC000012572743 570681415 /nfs/dbraw/zinc/68/14/15/570681415.db2.gz VEMOFOQDDSIDKQ-NRFANRHFSA-N 1 1 396.497 4.967 50 0 GJAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012571691 570681485 /nfs/dbraw/zinc/68/14/85/570681485.db2.gz KXVILSQYWCNIOH-QPGLYAHGSA-N 1 1 396.506 4.978 50 0 GJAAMO Cn1cc(C[NH2+]C[C@@H]2CCCN(C)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012592013 570687608 /nfs/dbraw/zinc/68/76/08/570687608.db2.gz YDCOOALRMWNYPJ-IBGZPJMESA-N 1 1 380.580 4.566 50 0 GJAAMO Cn1cc(CNC[C@@H]2CCC[N@H+](C)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012592013 570687610 /nfs/dbraw/zinc/68/76/10/570687610.db2.gz YDCOOALRMWNYPJ-IBGZPJMESA-N 1 1 380.580 4.566 50 0 GJAAMO Cn1cc(CNC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012592013 570687613 /nfs/dbraw/zinc/68/76/13/570687613.db2.gz YDCOOALRMWNYPJ-IBGZPJMESA-N 1 1 380.580 4.566 50 0 GJAAMO COc1ccccc1N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000055292160 570690337 /nfs/dbraw/zinc/69/03/37/570690337.db2.gz LBMFQQRDEDWZCB-UHFFFAOYSA-N 1 1 388.511 4.596 50 0 GJAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)c1cc2ccccc2[nH]1 ZINC000012706174 570700451 /nfs/dbraw/zinc/70/04/51/570700451.db2.gz APAXEUULDNLOHI-KRWDZBQOSA-N 1 1 387.483 4.556 50 0 GJAAMO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]C1CCN(C(C)C)CC1 ZINC000012714542 570703849 /nfs/dbraw/zinc/70/38/49/570703849.db2.gz PYERKDLQSVFKKR-OAQYLSRUSA-N 1 1 380.580 4.657 50 0 GJAAMO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000058165248 570713339 /nfs/dbraw/zinc/71/33/39/570713339.db2.gz WJYTWBIDZCMXIR-QGZVFWFLSA-N 1 1 376.456 4.777 50 0 GJAAMO Cc1ccccc1C[N@@H+](C)[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012792239 570714361 /nfs/dbraw/zinc/71/43/61/570714361.db2.gz FEHZOXPLFYASII-CQSZACIVSA-N 1 1 379.485 4.746 50 0 GJAAMO Cc1ccccc1C[N@H+](C)[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012792239 570714364 /nfs/dbraw/zinc/71/43/64/570714364.db2.gz FEHZOXPLFYASII-CQSZACIVSA-N 1 1 379.485 4.746 50 0 GJAAMO C[N@@H+](Cc1ccccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C1CCCCC1 ZINC000025154683 570734667 /nfs/dbraw/zinc/73/46/67/570734667.db2.gz ABJUHALJTLHZCT-UFRUDQCGSA-N 1 1 382.548 4.785 50 0 GJAAMO C[C@H](c1ccccc1)[N@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012992439 570738438 /nfs/dbraw/zinc/73/84/38/570738438.db2.gz KBTYZWYRZQVUPD-OAHLLOKOSA-N 1 1 375.497 4.845 50 0 GJAAMO C[C@H](c1ccccc1)[N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012992439 570738439 /nfs/dbraw/zinc/73/84/39/570738439.db2.gz KBTYZWYRZQVUPD-OAHLLOKOSA-N 1 1 375.497 4.845 50 0 GJAAMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000013041616 570743825 /nfs/dbraw/zinc/74/38/25/570743825.db2.gz GNFGWURNDJRGHG-MRXNPFEDSA-N 1 1 382.891 4.831 50 0 GJAAMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000013041616 570743829 /nfs/dbraw/zinc/74/38/29/570743829.db2.gz GNFGWURNDJRGHG-MRXNPFEDSA-N 1 1 382.891 4.831 50 0 GJAAMO COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1Br ZINC000025363599 570749016 /nfs/dbraw/zinc/74/90/16/570749016.db2.gz SZXBOTCQBIHHNA-HXUWFJFHSA-N 1 1 383.289 4.732 50 0 GJAAMO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1Br ZINC000025363596 570749132 /nfs/dbraw/zinc/74/91/32/570749132.db2.gz SZXBOTCQBIHHNA-FQEVSTJZSA-N 1 1 383.289 4.732 50 0 GJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2cccc(F)c2)cc1OC ZINC000013759015 570785857 /nfs/dbraw/zinc/78/58/57/570785857.db2.gz FKRPXPXSMAVQSM-TUACAJSNSA-N 1 1 399.506 4.711 50 0 GJAAMO C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](CNC(=S)Nc2cccc(C(F)(F)F)c2)C1 ZINC000004669805 570816807 /nfs/dbraw/zinc/81/68/07/570816807.db2.gz JHCKBLSSMCMIBK-IIDMSEBBSA-N 1 1 399.526 4.892 50 0 GJAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](C[C@H]1CCO[C@H](C)C1)CC2 ZINC000170592988 570851896 /nfs/dbraw/zinc/85/18/96/570851896.db2.gz VIBMWMUNMXVJMU-ZMPRRUGASA-N 1 1 387.545 4.528 50 0 GJAAMO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+](C)CCc2ccccn2)o1 ZINC000014981349 570869587 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398.462 4.522 50 0 GJAAMO COc1ccccc1OCCCCn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000021783155 210394087 /nfs/dbraw/zinc/39/40/87/210394087.db2.gz JNJVNYRJKUYNHG-UHFFFAOYSA-N 1 1 393.531 4.890 50 0 GJAAMO CCC[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868378 210364319 /nfs/dbraw/zinc/36/43/19/210364319.db2.gz FUGHFMSBXOKNOF-FGZHOGPDSA-N 1 1 391.914 4.583 50 0 GJAAMO Cc1ccccc1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020653878 210354731 /nfs/dbraw/zinc/35/47/31/210354731.db2.gz ORQYXDUTUKYROD-UHFFFAOYSA-N 1 1 385.511 4.934 50 0 GJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(F)cc1 ZINC000011933158 221137754 /nfs/dbraw/zinc/13/77/54/221137754.db2.gz WAOBIZUHEKXKLE-GOSISDBHSA-N 1 1 388.914 4.506 50 0 GJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(-c3ccccc3OC)no2)cc1 ZINC000014019770 221296979 /nfs/dbraw/zinc/29/69/79/221296979.db2.gz FLJBAYIALWESGP-HXUWFJFHSA-N 1 1 393.487 4.871 50 0 GJAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(-c3ccccc3OC)no2)cc1 ZINC000014019770 221296983 /nfs/dbraw/zinc/29/69/83/221296983.db2.gz FLJBAYIALWESGP-HXUWFJFHSA-N 1 1 393.487 4.871 50 0 GJAAMO CCCn1ncc(-c2c(-c3ccccc3)ncn2CC[C@@H]2CCC[N@H+]2C)c1C ZINC000065406196 222128733 /nfs/dbraw/zinc/12/87/33/222128733.db2.gz QKZMMCZDOXYTBV-FQEVSTJZSA-N 1 1 377.536 4.616 50 0 GJAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000019731601 570211471 /nfs/dbraw/zinc/21/14/71/570211471.db2.gz ONIBPRJWWZXPDC-MRXNPFEDSA-N 1 1 392.524 4.757 50 0 GJAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000019731601 570211475 /nfs/dbraw/zinc/21/14/75/570211475.db2.gz ONIBPRJWWZXPDC-MRXNPFEDSA-N 1 1 392.524 4.757 50 0 GJAAMO Cc1ccc(C(=O)Nc2ncc(C[N@H+]3CC[C@H](c4ccccc4)C3)s2)cc1 ZINC000019873248 570226501 /nfs/dbraw/zinc/22/65/01/570226501.db2.gz LNFNXXMHRXNNTG-IBGZPJMESA-N 1 1 377.513 4.693 50 0 GJAAMO Cn1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc2cc(Cl)ccc21 ZINC000048374615 570249457 /nfs/dbraw/zinc/24/94/57/570249457.db2.gz NQXWZXAHLSMNBF-CQSZACIVSA-N 1 1 380.879 4.748 50 0 GJAAMO CN(Cc1ccc2ncccc2c1)C(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000216002448 570294708 /nfs/dbraw/zinc/29/47/08/570294708.db2.gz DGLPHFCXDBFWSS-QHCPKHFHSA-N 1 1 391.490 4.560 50 0 GJAAMO C[N@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1CCc2ccccc21 ZINC000022761337 570326666 /nfs/dbraw/zinc/32/66/66/570326666.db2.gz PGNABBKFPMDLRK-INIZCTEOSA-N 1 1 382.813 4.917 50 0 GJAAMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1CCc2ccccc21 ZINC000022761337 570326667 /nfs/dbraw/zinc/32/66/67/570326667.db2.gz PGNABBKFPMDLRK-INIZCTEOSA-N 1 1 382.813 4.917 50 0 GJAAMO Cc1[nH+]c2cc(C)c(C)cc2n1CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004919444 570366097 /nfs/dbraw/zinc/36/60/97/570366097.db2.gz AILVQIIJRBIICV-UHFFFAOYSA-N 1 1 394.563 4.620 50 0 GJAAMO CC(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C(C)C)c1 ZINC000024149639 570379570 /nfs/dbraw/zinc/37/95/70/570379570.db2.gz FYFXYDUBELOPBZ-UHFFFAOYSA-N 1 1 394.559 4.696 50 0 GJAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1cccc(Cl)c1 ZINC000004966433 570383333 /nfs/dbraw/zinc/38/33/33/570383333.db2.gz JUAHDTYCWJOSDY-UHFFFAOYSA-N 1 1 385.920 4.768 50 0 GJAAMO CC(C)c1oc([C@H]2CCC[N@@H+]2CCOC[C@H]2CCCCO2)nc1-c1ccccc1 ZINC000241930362 570431836 /nfs/dbraw/zinc/43/18/36/570431836.db2.gz UHYOTCOMLSQKFP-NHCUHLMSSA-N 1 1 398.547 5.188 50 0 GJAAMO CC(C)c1oc([C@H]2CCC[N@H+]2CCOC[C@H]2CCCCO2)nc1-c1ccccc1 ZINC000241930362 570431838 /nfs/dbraw/zinc/43/18/38/570431838.db2.gz UHYOTCOMLSQKFP-NHCUHLMSSA-N 1 1 398.547 5.188 50 0 GJAAMO CCC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840474 570463390 /nfs/dbraw/zinc/46/33/90/570463390.db2.gz DYDOTNOLUQMPCS-XMMPIXPASA-N 1 1 380.507 4.839 50 0 GJAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029482263 570474854 /nfs/dbraw/zinc/47/48/54/570474854.db2.gz RAJPOCZSUSJTDR-QGZVFWFLSA-N 1 1 382.813 4.917 50 0 GJAAMO c1ccc([C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)c2ccccn2)cc1 ZINC000030544692 570490970 /nfs/dbraw/zinc/49/09/70/570490970.db2.gz AJILMVKGGDUJLL-VWLOTQADSA-N 1 1 381.479 4.935 50 0 GJAAMO COc1cccc(OC)c1OCCCCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000006624371 570508546 /nfs/dbraw/zinc/50/85/46/570508546.db2.gz BLBPHQYKPLLCEP-FQEVSTJZSA-N 1 1 384.520 4.875 50 0 biogenic GJAAMO Cc1ncsc1C(=O)OC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078989021 570509574 /nfs/dbraw/zinc/50/95/74/570509574.db2.gz IOQIRLHHICHWAN-GDBMZVCRSA-N 1 1 398.450 4.710 50 0 GJAAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 ZINC000072309873 570537457 /nfs/dbraw/zinc/53/74/57/570537457.db2.gz VUTCHZGSTGOVFS-KRWDZBQOSA-N 1 1 385.483 4.814 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2C)s1 ZINC000036101160 570538006 /nfs/dbraw/zinc/53/80/06/570538006.db2.gz NLQHZZULFAXHKX-NRFANRHFSA-N 1 1 381.541 4.807 50 0 GJAAMO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)Nc1cccs1 ZINC000022767060 570544157 /nfs/dbraw/zinc/54/41/57/570544157.db2.gz GIWCEAPHBJUTHM-GOSISDBHSA-N 1 1 383.542 4.731 50 0 GJAAMO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)Nc1cccs1 ZINC000022767060 570544159 /nfs/dbraw/zinc/54/41/59/570544159.db2.gz GIWCEAPHBJUTHM-GOSISDBHSA-N 1 1 383.542 4.731 50 0 GJAAMO Brc1cccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000257370768 570544965 /nfs/dbraw/zinc/54/49/65/570544965.db2.gz HEGRQVZYUPRVKO-VQTJNVASSA-N 1 1 377.370 4.678 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(C)[nH+]1 ZINC000064800761 570547695 /nfs/dbraw/zinc/54/76/95/570547695.db2.gz DIWFFZMSSDHFDN-UHFFFAOYSA-N 1 1 381.867 4.866 50 0 GJAAMO CC[C@@H]1CCc2sc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2C1 ZINC000032967225 570550713 /nfs/dbraw/zinc/55/07/13/570550713.db2.gz YNNKVBHIFRNEHZ-AEFFLSMTSA-N 1 1 386.561 4.813 50 0 GJAAMO Cc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCCCC1 ZINC000036344886 570563261 /nfs/dbraw/zinc/56/32/61/570563261.db2.gz UKGJPEDDBQDMJP-JOCHJYFZSA-N 1 1 395.934 4.812 50 0 GJAAMO Clc1cccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)n2)c1 ZINC000011664559 570578320 /nfs/dbraw/zinc/57/83/20/570578320.db2.gz FBJYCXNCIVBNCH-UHFFFAOYSA-N 1 1 393.878 4.646 50 0 GJAAMO O=C(CC[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)NCc1ccccc1Cl ZINC000011716362 570580606 /nfs/dbraw/zinc/58/06/06/570580606.db2.gz CQXNNEQYAVAUGX-GOSISDBHSA-N 1 1 396.962 4.616 50 0 GJAAMO CCCC[N@@H+](C)CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780536 570587048 /nfs/dbraw/zinc/58/70/48/570587048.db2.gz XYKRBTSEVXXUBP-UHFFFAOYSA-N 1 1 398.576 4.556 50 0 GJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCSCC3)cc2)c1 ZINC000011948328 570595380 /nfs/dbraw/zinc/59/53/80/570595380.db2.gz GYIIRFWZWTUOSA-QFIPXVFZSA-N 1 1 396.556 4.661 50 0 GJAAMO Cc1c([C@@H](C)[NH2+]Cc2cccc3c2OCO3)cnn1-c1cccc2ccccc21 ZINC000012073890 570604743 /nfs/dbraw/zinc/60/47/43/570604743.db2.gz ASEPRTYQJJZOGK-MRXNPFEDSA-N 1 1 385.467 4.913 50 0 GJAAMO FC(F)(F)c1cccc(Cc2noc(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)c1 ZINC000012076074 570605290 /nfs/dbraw/zinc/60/52/90/570605290.db2.gz FZJJHIDVOMRPBU-HOTGVXAUSA-N 1 1 379.426 4.691 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c(OC)c1 ZINC000042881838 570623453 /nfs/dbraw/zinc/62/34/53/570623453.db2.gz PTZAOSRQMFCTFH-SFHVURJKSA-N 1 1 395.478 4.613 50 0 GJAAMO C[N@@H+](Cc1ccc([O-])c(Cl)c1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012204019 570625642 /nfs/dbraw/zinc/62/56/42/570625642.db2.gz YICJAVXJQDPFDW-UHFFFAOYSA-N 1 1 390.930 4.571 50 0 GJAAMO C[N@H+](Cc1ccc([O-])c(Cl)c1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012204019 570625645 /nfs/dbraw/zinc/62/56/45/570625645.db2.gz YICJAVXJQDPFDW-UHFFFAOYSA-N 1 1 390.930 4.571 50 0 GJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](C4CCN(C(C)C)CC4)C3)ccc2c1 ZINC000012303127 570636863 /nfs/dbraw/zinc/63/68/63/570636863.db2.gz KDONTFYQNFSTAT-QFIPXVFZSA-N 1 1 394.559 4.616 50 0 GJAAMO COc1ccc2cc(C(=O)[C@H]3CCCN(C4CC[NH+](C(C)C)CC4)C3)ccc2c1 ZINC000012303127 570636868 /nfs/dbraw/zinc/63/68/68/570636868.db2.gz KDONTFYQNFSTAT-QFIPXVFZSA-N 1 1 394.559 4.616 50 0 GJAAMO CCCn1ncc(C[N@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)c1C ZINC000012373787 570648723 /nfs/dbraw/zinc/64/87/23/570648723.db2.gz DAXANSSVTIUGEP-HXUWFJFHSA-N 1 1 375.516 4.850 50 0 GJAAMO CC(=O)Nc1ccc2[nH]c(C)c([C@H](Nc3cc(C)cc[nH+]3)c3ccccn3)c2c1 ZINC000021805639 570745916 /nfs/dbraw/zinc/74/59/16/570745916.db2.gz QNPCMTVPCKSFHA-HSZRJFAPSA-N 1 1 385.471 4.735 50 0 GJAAMO Cc1cn2c(nc(C[N@H+](Cc3ccc(C(C)C)cc3)CC(C)C)cc2=O)s1 ZINC000033069034 570775791 /nfs/dbraw/zinc/77/57/91/570775791.db2.gz LKFLFTLGRYDAFF-UHFFFAOYSA-N 1 1 383.561 4.846 50 0 GJAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000014193811 570828354 /nfs/dbraw/zinc/82/83/54/570828354.db2.gz HZXRHAHJKAVFBZ-NSHDSACASA-N 1 1 384.332 4.930 50 0 GJAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000014193811 570828358 /nfs/dbraw/zinc/82/83/58/570828358.db2.gz HZXRHAHJKAVFBZ-NSHDSACASA-N 1 1 384.332 4.930 50 0 GJAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)c(C)c1 ZINC000012561550 570865734 /nfs/dbraw/zinc/86/57/34/570865734.db2.gz URZACEZGKOWHAF-UHFFFAOYSA-N 1 1 379.548 4.673 50 0 GJAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCCC2)c(C)c1 ZINC000012561550 570865736 /nfs/dbraw/zinc/86/57/36/570865736.db2.gz URZACEZGKOWHAF-UHFFFAOYSA-N 1 1 379.548 4.673 50 0 GJAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3c(C)nn(C(C)C)c3C)C2)cc1C ZINC000015063239 570875055 /nfs/dbraw/zinc/87/50/55/570875055.db2.gz ZCJTVNHYGALHJL-FQEVSTJZSA-N 1 1 397.563 4.801 50 0 GJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1(c2ccc(Cl)cc2)CCCC1 ZINC000004027800 570907991 /nfs/dbraw/zinc/90/79/91/570907991.db2.gz JFSDHQSBFRMQNC-FXAWDEMLSA-N 1 1 375.940 4.960 50 0 biogenic GJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(c1ccccc1)c1ccccc1 ZINC000015906261 570908405 /nfs/dbraw/zinc/90/84/05/570908405.db2.gz YPFLJLWHPAYRJF-UKILVPOCSA-N 1 1 396.534 4.961 50 0 GJAAMO C[N@@H+](CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCCc2ccccc21 ZINC000016342781 570922848 /nfs/dbraw/zinc/92/28/48/570922848.db2.gz PWJCZTFDNYRRRJ-KRWDZBQOSA-N 1 1 376.472 4.949 50 0 GJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc1OC ZINC000004062062 570927643 /nfs/dbraw/zinc/92/76/43/570927643.db2.gz QZYSXKPKTXYODP-TUSQITKMSA-N 1 1 395.543 4.881 50 0 biogenic GJAAMO Cc1ncsc1C(=O)OC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000107149350 570971137 /nfs/dbraw/zinc/97/11/37/570971137.db2.gz IOQIRLHHICHWAN-ZBFHGGJFSA-N 1 1 398.450 4.710 50 0 GJAAMO O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cc(-c2ccccc2)n[nH]1 ZINC000585150601 570984002 /nfs/dbraw/zinc/98/40/02/570984002.db2.gz WTBHYQFHAPEAIT-UHFFFAOYSA-N 1 1 383.455 4.529 50 0 GJAAMO Cc1c(Cl)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)nc2ccccc12 ZINC000012761931 571012763 /nfs/dbraw/zinc/01/27/63/571012763.db2.gz SHHYBBYMJYYVIA-UHFFFAOYSA-N 1 1 393.918 4.591 50 0 GJAAMO O=C(CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000095398220 571073473 /nfs/dbraw/zinc/07/34/73/571073473.db2.gz AVZIJOPNYHUBGV-UHFFFAOYSA-N 1 1 384.523 4.667 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(c4nc(-c5ccccc5)no4)C3)C2)c1 ZINC000426486014 231227823 /nfs/dbraw/zinc/22/78/23/231227823.db2.gz SXOMMIYHCNSKSR-DEOSSOPVSA-N 1 1 388.515 4.538 50 0 GJAAMO O=C(c1cc2ccccc2o1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000014976734 210138154 /nfs/dbraw/zinc/13/81/54/210138154.db2.gz KFLXYIMUGOJHOW-XMMPIXPASA-N 1 1 392.474 4.700 50 0 GJAAMO COc1ccc(C[N@H+]2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)cc1O ZINC000014879840 210129752 /nfs/dbraw/zinc/12/97/52/210129752.db2.gz NRVVQAMECFGWTL-JOCHJYFZSA-N 1 1 381.497 4.907 50 0 GJAAMO COc1ccc(C[N@@H+]2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)cc1O ZINC000014879840 210129756 /nfs/dbraw/zinc/12/97/56/210129756.db2.gz NRVVQAMECFGWTL-JOCHJYFZSA-N 1 1 381.497 4.907 50 0 GJAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000014193810 210109679 /nfs/dbraw/zinc/10/96/79/210109679.db2.gz HZXRHAHJKAVFBZ-LLVKDONJSA-N 1 1 384.332 4.930 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000014193810 210109682 /nfs/dbraw/zinc/10/96/82/210109682.db2.gz HZXRHAHJKAVFBZ-LLVKDONJSA-N 1 1 384.332 4.930 50 0 GJAAMO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000014085790 210101494 /nfs/dbraw/zinc/10/14/94/210101494.db2.gz LDAOXKVMFNTBQB-RUZDIDTESA-N 1 1 388.511 4.884 50 0 GJAAMO Cc1ccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012913084 210028222 /nfs/dbraw/zinc/02/82/22/210028222.db2.gz VJSTUMBSQPNXMV-CQSZACIVSA-N 1 1 379.485 4.746 50 0 GJAAMO Cc1ccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012913084 210028229 /nfs/dbraw/zinc/02/82/29/210028229.db2.gz VJSTUMBSQPNXMV-CQSZACIVSA-N 1 1 379.485 4.746 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 ZINC000012928710 210032514 /nfs/dbraw/zinc/03/25/14/210032514.db2.gz YKABCQUVMXIYOJ-UHFFFAOYSA-N 1 1 390.483 4.512 50 0 GJAAMO C[C@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc2ccccc21 ZINC000012872272 210020375 /nfs/dbraw/zinc/02/03/75/210020375.db2.gz VGTPNPCGKPJDOH-IBGZPJMESA-N 1 1 387.527 4.552 50 0 GJAAMO CC(=O)c1cc(C[NH+]2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)cs1 ZINC000012835872 210017616 /nfs/dbraw/zinc/01/76/16/210017616.db2.gz VCZUUTXDJQZFTC-UHFFFAOYSA-N 1 1 398.572 4.602 50 0 GJAAMO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000012806479 210012769 /nfs/dbraw/zinc/01/27/69/210012769.db2.gz SXCWIOADTLRJKG-QGZVFWFLSA-N 1 1 378.299 4.522 50 0 GJAAMO Fc1cccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)c1F ZINC000299780174 212037611 /nfs/dbraw/zinc/03/76/11/212037611.db2.gz RIRGHHUTCMCKNJ-UHOSZYNNSA-N 1 1 381.426 4.632 50 0 GJAAMO COc1ccccc1-c1cc2c(c(OC)c1)OCC[N@H+](Cc1cccs1)C2 ZINC000299771547 212035893 /nfs/dbraw/zinc/03/58/93/212035893.db2.gz TXUZLCIRFYPVSB-UHFFFAOYSA-N 1 1 381.497 4.827 50 0 GJAAMO COc1ccccc1-c1cc2c(c(OC)c1)OCC[N@@H+](Cc1cccs1)C2 ZINC000299771547 212035897 /nfs/dbraw/zinc/03/58/97/212035897.db2.gz TXUZLCIRFYPVSB-UHFFFAOYSA-N 1 1 381.497 4.827 50 0 GJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2cccc(F)c2)c(OC)c1 ZINC000005253050 204121364 /nfs/dbraw/zinc/12/13/64/204121364.db2.gz FAACTDGNFHHGQS-QTJGBDASSA-N 1 1 399.506 4.711 50 0 GJAAMO CN(C)CCC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000006662238 204190550 /nfs/dbraw/zinc/19/05/50/204190550.db2.gz RBXMWPWASVANNY-AZUAARDMSA-N 1 1 381.004 4.635 50 0 GJAAMO C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000006679993 204192035 /nfs/dbraw/zinc/19/20/35/204192035.db2.gz JRBBXNBIGSYQQS-MBSDFSHPSA-N 1 1 378.560 4.998 50 0 GJAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000007362728 204240357 /nfs/dbraw/zinc/24/03/57/204240357.db2.gz XSZXRXLCCPBSGC-LJQANCHMSA-N 1 1 394.544 4.635 50 0 GJAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000007362728 204240361 /nfs/dbraw/zinc/24/03/61/204240361.db2.gz XSZXRXLCCPBSGC-LJQANCHMSA-N 1 1 394.544 4.635 50 0 GJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000007905494 204253715 /nfs/dbraw/zinc/25/37/15/204253715.db2.gz FBSJIGLMTHHHIB-UHFFFAOYSA-N 1 1 390.531 4.683 50 0 GJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000007905494 204253719 /nfs/dbraw/zinc/25/37/19/204253719.db2.gz FBSJIGLMTHHHIB-UHFFFAOYSA-N 1 1 390.531 4.683 50 0 GJAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](C2CCCCC2)C3)c1OC ZINC000012218604 204383372 /nfs/dbraw/zinc/38/33/72/204383372.db2.gz BCSNLLJHYUBSCM-UHFFFAOYSA-N 1 1 397.515 4.907 50 0 GJAAMO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000012300520 204391995 /nfs/dbraw/zinc/39/19/95/204391995.db2.gz VTGKECSOVZGDFJ-FQEVSTJZSA-N 1 1 389.474 4.738 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)s1 ZINC000036101521 205005745 /nfs/dbraw/zinc/00/57/45/205005745.db2.gz NQJQYYASDSNQNU-JOCHJYFZSA-N 1 1 399.531 4.776 50 0 GJAAMO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036343541 205010809 /nfs/dbraw/zinc/01/08/09/205010809.db2.gz ZDEDKENYYNIZCX-DEOSSOPVSA-N 1 1 389.543 4.775 50 0 GJAAMO C[N@@H+](CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000036345215 205011372 /nfs/dbraw/zinc/01/13/72/205011372.db2.gz KAQYHSXJNPOXRW-QHCPKHFHSA-N 1 1 393.506 4.768 50 0 GJAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@H](c3ccccc3F)C2)c1 ZINC000036345449 205012570 /nfs/dbraw/zinc/01/25/70/205012570.db2.gz LDJZKMLKVCEAJJ-MBSDFSHPSA-N 1 1 393.506 4.686 50 0 GJAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)c1OC ZINC000036348392 205012775 /nfs/dbraw/zinc/01/27/75/205012775.db2.gz JUYLNQMZVOXFMX-QHCPKHFHSA-N 1 1 376.500 4.809 50 0 GJAAMO Cc1[nH+]ccn1Cc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000036394044 205016581 /nfs/dbraw/zinc/01/65/81/205016581.db2.gz RRIKRDCTLWNGOT-UHFFFAOYSA-N 1 1 380.801 4.919 50 0 GJAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000054011128 205140413 /nfs/dbraw/zinc/14/04/13/205140413.db2.gz GUMWVNRDIHAEFY-UHFFFAOYSA-N 1 1 388.265 4.663 50 0 GJAAMO Cc1cccn2cc(CC(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)nc12 ZINC000058166330 205166086 /nfs/dbraw/zinc/16/60/86/205166086.db2.gz BJZNQQUVNYMOSV-UHFFFAOYSA-N 1 1 390.531 4.588 50 0 GJAAMO Fc1cccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000067872792 205265749 /nfs/dbraw/zinc/26/57/49/205265749.db2.gz SOKIKSOCBPOEPA-UHFFFAOYSA-N 1 1 381.539 4.878 50 0 GJAAMO Clc1ccc(CN2CC[NH+](Cc3ccc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000072440768 205352683 /nfs/dbraw/zinc/35/26/83/205352683.db2.gz SXGNZWYUTFJDJU-IBGZPJMESA-N 1 1 376.953 4.571 50 0 GJAAMO c1c(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)onc1-c1ccncc1 ZINC000252479781 206138062 /nfs/dbraw/zinc/13/80/62/206138062.db2.gz BMVAVMFIFSILOH-INIZCTEOSA-N 1 1 376.485 4.726 50 0 GJAAMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000095373584 211229309 /nfs/dbraw/zinc/22/93/09/211229309.db2.gz GGDFFROIMYFVKK-LBPRGKRZSA-N 1 1 381.328 4.688 50 0 GJAAMO Cc1nc(CC[N@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cs1 ZINC000091665391 211202726 /nfs/dbraw/zinc/20/27/26/211202726.db2.gz OLBMAMISYRVOEC-HNNXBMFYSA-N 1 1 382.451 4.608 50 0 GJAAMO COc1ccc2cc(C[N@@H+]3CCC[C@@H](OC)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072408576 211114430 /nfs/dbraw/zinc/11/44/30/211114430.db2.gz XPLSHYBTFIYQQQ-JOCHJYFZSA-N 1 1 376.500 4.830 50 0 GJAAMO CCNc1ncc(C[N@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000071753415 211055028 /nfs/dbraw/zinc/05/50/28/211055028.db2.gz KKUGLTANKPNSLD-MRXNPFEDSA-N 1 1 392.469 4.772 50 0 GJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000021794187 210393454 /nfs/dbraw/zinc/39/34/54/210393454.db2.gz WREZVTCQZZRIFZ-UHFFFAOYSA-N 1 1 391.450 4.520 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794187 210393458 /nfs/dbraw/zinc/39/34/58/210393458.db2.gz WREZVTCQZZRIFZ-UHFFFAOYSA-N 1 1 391.450 4.520 50 0 GJAAMO CC(=O)Nc1ccc2[nH]c(C)c([C@H](Nc3cccc(C)[nH+]3)c3ccccn3)c2c1 ZINC000021805645 210396117 /nfs/dbraw/zinc/39/61/17/210396117.db2.gz LGOVLABBGXCNKC-HSZRJFAPSA-N 1 1 385.471 4.735 50 0 GJAAMO O=C(/C=C/c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019798739 210298410 /nfs/dbraw/zinc/29/84/10/210298410.db2.gz QIRBBJRUUTUFMY-WUKNDPDISA-N 1 1 382.507 4.634 50 0 GJAAMO COc1cccc(NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000019880232 210305305 /nfs/dbraw/zinc/30/53/05/210305305.db2.gz IOIZAYOYABGDHW-UHFFFAOYSA-N 1 1 399.494 4.615 50 0 GJAAMO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)ccc1C ZINC000011841292 221132205 /nfs/dbraw/zinc/13/22/05/221132205.db2.gz PDDNFRHINCIARC-DEOSSOPVSA-N 1 1 384.564 4.512 50 0 GJAAMO C[C@@H]1C[N@@H+](C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000012363299 221185606 /nfs/dbraw/zinc/18/56/06/221185606.db2.gz LMMVZOBRCFQJEF-BGYRXZFFSA-N 1 1 380.532 4.553 50 0 GJAAMO C[C@@H]1CN(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000012363299 221185609 /nfs/dbraw/zinc/18/56/09/221185609.db2.gz LMMVZOBRCFQJEF-BGYRXZFFSA-N 1 1 380.532 4.553 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000012902216 221243820 /nfs/dbraw/zinc/24/38/20/221243820.db2.gz ZIXBKPQLKIAYNQ-DLBZAZTESA-N 1 1 394.490 4.685 50 0 GJAAMO c1cc([C@H]2CCCCO2)oc1C[N@H+]1CCCC12CCN(c1ccccn1)CC2 ZINC000072421293 136169813 /nfs/dbraw/zinc/16/98/13/136169813.db2.gz JIPAPGYFJHAABU-HXUWFJFHSA-N 1 1 381.520 4.551 50 0 GJAAMO COc1cc2nc(C3CCC3)nc(NCCC[N@H+]3CCCC[C@@H]3C)c2cc1OC ZINC000085425765 570228318 /nfs/dbraw/zinc/22/83/18/570228318.db2.gz UAEFUIHBOKTOEZ-INIZCTEOSA-N 1 1 398.551 4.591 50 0 GJAAMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000247767375 570240401 /nfs/dbraw/zinc/24/04/01/570240401.db2.gz LTOCOLQZXWTUBC-BJLQDIEVSA-N 1 1 397.588 4.657 50 0 GJAAMO O=C(c1c(F)cccc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020166353 570245671 /nfs/dbraw/zinc/24/56/71/570245671.db2.gz BRPALXGSSFHSEU-UHFFFAOYSA-N 1 1 392.449 4.512 50 0 GJAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+]([C@H]1CCSC1)CC2 ZINC000022023306 570255360 /nfs/dbraw/zinc/25/53/60/570255360.db2.gz ZAYLDBJBXASQCG-UWJYYQICSA-N 1 1 389.948 4.810 50 0 GJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000102705477 570291396 /nfs/dbraw/zinc/29/13/96/570291396.db2.gz NYKCLOKQISORAA-PMOLBWCYSA-N 1 1 390.483 4.930 50 0 GJAAMO O=c1cc(C[N@@H+]2CCC[C@H]2c2cccs2)nc2scc(-c3ccccc3)n21 ZINC000021473127 570291568 /nfs/dbraw/zinc/29/15/68/570291568.db2.gz NRUIMKAXLOYOMA-KRWDZBQOSA-N 1 1 393.537 4.822 50 0 GJAAMO O=c1cc(C[N@H+]2CCC[C@H]2c2cccs2)nc2scc(-c3ccccc3)n21 ZINC000021473127 570291569 /nfs/dbraw/zinc/29/15/69/570291569.db2.gz NRUIMKAXLOYOMA-KRWDZBQOSA-N 1 1 393.537 4.822 50 0 GJAAMO Cc1cccc([C@@H]2C[C@H](C(=O)NCc3ccco3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711222 570302979 /nfs/dbraw/zinc/30/29/79/570302979.db2.gz KIVOUUAFIYSHDM-PKTZIBPZSA-N 1 1 388.511 4.510 50 0 GJAAMO CCCC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(OC)c(OC)c1 ZINC000004832251 570307333 /nfs/dbraw/zinc/30/73/33/570307333.db2.gz LKKQDTJKOBODFM-UHFFFAOYSA-N 1 1 398.547 4.870 50 0 GJAAMO O[C@H](C[N@@H+]1CC=C(/C=C/c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000004006883 570354224 /nfs/dbraw/zinc/35/42/24/570354224.db2.gz VABIWRWPHBKECP-IRUYWQDXSA-N 1 1 384.317 4.828 50 0 GJAAMO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)Nc1cccs1 ZINC000022767063 570376557 /nfs/dbraw/zinc/37/65/57/570376557.db2.gz GIWCEAPHBJUTHM-SFHVURJKSA-N 1 1 383.542 4.731 50 0 GJAAMO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)Nc1cccs1 ZINC000022767063 570376561 /nfs/dbraw/zinc/37/65/61/570376561.db2.gz GIWCEAPHBJUTHM-SFHVURJKSA-N 1 1 383.542 4.731 50 0 GJAAMO Cc1ccsc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025356284 570411588 /nfs/dbraw/zinc/41/15/88/570411588.db2.gz MFHRCCUZANJNCJ-UHFFFAOYSA-N 1 1 376.525 4.604 50 0 GJAAMO C[NH+]1CCC(=C2c3cc(Br)sc3C(=O)Cc3ccccc32)CC1 ZINC000005525389 570444244 /nfs/dbraw/zinc/44/42/44/570444244.db2.gz MXGSWUZNIPJDMX-UHFFFAOYSA-N 1 1 388.330 4.777 50 0 GJAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000064590815 570490021 /nfs/dbraw/zinc/49/00/21/570490021.db2.gz UNQXHSDSOSRCQX-UHFFFAOYSA-N 1 1 383.495 4.514 50 0 GJAAMO COc1ccc(C[N@@H+](C[C@@H](O)COc2cccc3[nH]cc(C)c32)C(C)(C)C)cc1 ZINC000003109436 570503753 /nfs/dbraw/zinc/50/37/53/570503753.db2.gz TYUMCLALIPLROE-LJQANCHMSA-N 1 1 396.531 4.525 50 0 GJAAMO Cc1ccccc1[C@@H]1C2=C([NH+]=C3N=CNN31)c1ccccc1O[C@@H]2c1cccs1 ZINC000002707217 570506197 /nfs/dbraw/zinc/50/61/97/570506197.db2.gz OTINGDSTQHQADC-FGZHOGPDSA-N 1 1 398.491 4.861 50 0 GJAAMO CC(=O)CCc1ccc(OCCCC[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000006624526 570508807 /nfs/dbraw/zinc/50/88/07/570508807.db2.gz ZDJWZOVLYUADGD-DEOSSOPVSA-N 1 1 380.532 4.989 50 0 biogenic GJAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)no2)cc1C ZINC000032622959 570512429 /nfs/dbraw/zinc/51/24/29/570512429.db2.gz YVJYOVKMGLLYAP-HXUWFJFHSA-N 1 1 393.487 4.508 50 0 GJAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1sc2ccc(Cl)cc2c1OC ZINC000064756691 570535024 /nfs/dbraw/zinc/53/50/24/570535024.db2.gz FEUAXGCXCZPWJU-CQSZACIVSA-N 1 1 380.941 4.558 50 0 GJAAMO CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)N2c3ccccc3NC2=[NH+]1 ZINC000008741306 570538910 /nfs/dbraw/zinc/53/89/10/570538910.db2.gz SDHJBHNFMUHUDP-LJQANCHMSA-N 1 1 381.863 4.908 50 0 GJAAMO CC[C@H]1CCc2sc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2C1 ZINC000032967223 570550754 /nfs/dbraw/zinc/55/07/54/570550754.db2.gz YNNKVBHIFRNEHZ-FUHWJXTLSA-N 1 1 386.561 4.813 50 0 GJAAMO CC(C)c1csc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)n1 ZINC000011873038 570589360 /nfs/dbraw/zinc/58/93/60/570589360.db2.gz HEYIMKLEGVXYLO-LJQANCHMSA-N 1 1 389.584 4.792 50 0 GJAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308215 570606086 /nfs/dbraw/zinc/60/60/86/570606086.db2.gz PQICALLGQACETR-FQEVSTJZSA-N 1 1 391.515 4.615 50 0 GJAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1C ZINC000042451713 570619541 /nfs/dbraw/zinc/61/95/41/570619541.db2.gz QHNXDUIZOIXQEO-SFHVURJKSA-N 1 1 397.954 4.943 50 0 GJAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@@H](c3ccccc3F)C2)c1 ZINC000036345450 570627454 /nfs/dbraw/zinc/62/74/54/570627454.db2.gz LDJZKMLKVCEAJJ-FDDCHVKYSA-N 1 1 393.506 4.686 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc5ncccc5c4)C3)C2)c1 ZINC000012318470 570642470 /nfs/dbraw/zinc/64/24/70/570642470.db2.gz DYXJUIITGULTHR-SANMLTNESA-N 1 1 399.538 4.672 50 0 GJAAMO Cc1ccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)c(C)c1 ZINC000006877323 570668354 /nfs/dbraw/zinc/66/83/54/570668354.db2.gz TUIXFZSQXLXZMQ-UHFFFAOYSA-N 1 1 377.532 4.606 50 0 GJAAMO COCc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)o1 ZINC000012591784 570687587 /nfs/dbraw/zinc/68/75/87/570687587.db2.gz AJFHDAVUQBQYOD-IBGZPJMESA-N 1 1 389.495 4.773 50 0 GJAAMO CCN1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000012594967 570688538 /nfs/dbraw/zinc/68/85/38/570688538.db2.gz IECXDKITLCGBEI-OAQYLSRUSA-N 1 1 392.543 4.858 50 0 GJAAMO CC[NH+]1CCC(N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000012594967 570688541 /nfs/dbraw/zinc/68/85/41/570688541.db2.gz IECXDKITLCGBEI-OAQYLSRUSA-N 1 1 392.543 4.858 50 0 GJAAMO Fc1ccccc1N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000055292401 570690846 /nfs/dbraw/zinc/69/08/46/570690846.db2.gz DAQYNCMTJXJGGY-UHFFFAOYSA-N 1 1 376.475 4.727 50 0 GJAAMO COc1cc(Cl)c(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)cc1OC ZINC000012707619 570700995 /nfs/dbraw/zinc/70/09/95/570700995.db2.gz CMQBXUASCUJYIM-CQSZACIVSA-N 1 1 385.895 4.702 50 0 GJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000012709592 570702221 /nfs/dbraw/zinc/70/22/21/570702221.db2.gz WULJCXBMTQPPGK-HXUWFJFHSA-N 1 1 391.540 4.689 50 0 GJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000012709592 570702224 /nfs/dbraw/zinc/70/22/24/570702224.db2.gz WULJCXBMTQPPGK-HXUWFJFHSA-N 1 1 391.540 4.689 50 0 GJAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cs1 ZINC000012744514 570707517 /nfs/dbraw/zinc/70/75/17/570707517.db2.gz DWSQYTANHDKUKR-INIZCTEOSA-N 1 1 388.508 4.721 50 0 GJAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cs1 ZINC000012744514 570707520 /nfs/dbraw/zinc/70/75/20/570707520.db2.gz DWSQYTANHDKUKR-INIZCTEOSA-N 1 1 388.508 4.721 50 0 GJAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000000892321 570709599 /nfs/dbraw/zinc/70/95/99/570709599.db2.gz GSOBCMZGYLAROR-UHFFFAOYSA-N 1 1 377.315 4.887 50 0 GJAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1OC ZINC000058159102 570712202 /nfs/dbraw/zinc/71/22/02/570712202.db2.gz DUIZTSVNOJGIFE-UHFFFAOYSA-N 1 1 395.499 4.874 50 0 GJAAMO Cc1nn(C[NH2+]C2(c3ccc(F)cc3)CCC2)c(=S)n1Cc1ccccc1 ZINC000058208987 570719936 /nfs/dbraw/zinc/71/99/36/570719936.db2.gz PMTDZYFQEGAEPP-UHFFFAOYSA-N 1 1 382.508 4.536 50 0 GJAAMO O=C(C[N@@H+](CCc1ccccc1)C1CCCC1)Nc1ccccc1OC(F)F ZINC000058297568 570725499 /nfs/dbraw/zinc/72/54/99/570725499.db2.gz CFHGARQNIWIJNQ-UHFFFAOYSA-N 1 1 388.458 4.714 50 0 GJAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000013594545 570761643 /nfs/dbraw/zinc/76/16/43/570761643.db2.gz KSORGAHSMHRMGC-SFHVURJKSA-N 1 1 379.529 4.552 50 0 GJAAMO Cc1csc2nc(C[N@H+](Cc3ccccc3)Cc3ccc(C)cc3)cc(=O)n12 ZINC000033068951 570773960 /nfs/dbraw/zinc/77/39/60/570773960.db2.gz AZVXSIJJZCWEDE-UHFFFAOYSA-N 1 1 389.524 4.575 50 0 GJAAMO Cc1csc2nc(C[N@@H+](Cc3ccccc3)Cc3ccc(C)cc3)cc(=O)n12 ZINC000033068951 570773964 /nfs/dbraw/zinc/77/39/64/570773964.db2.gz AZVXSIJJZCWEDE-UHFFFAOYSA-N 1 1 389.524 4.575 50 0 GJAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](C[C@@H]1CCO[C@H](C)C1)CC2 ZINC000170592986 570851814 /nfs/dbraw/zinc/85/18/14/570851814.db2.gz VIBMWMUNMXVJMU-XCGNWRKASA-N 1 1 387.545 4.528 50 0 GJAAMO O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000014961521 570866712 /nfs/dbraw/zinc/86/67/12/570866712.db2.gz LADTWMZCPNUIHS-OAQYLSRUSA-N 1 1 389.499 4.660 50 0 GJAAMO CCn1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(C)n1 ZINC000014990834 570870409 /nfs/dbraw/zinc/87/04/09/570870409.db2.gz OSEJPZYMTUIEGG-KRWDZBQOSA-N 1 1 383.927 4.635 50 0 GJAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCO)c(C)o2)c2ccccc12 ZINC000015061957 570874815 /nfs/dbraw/zinc/87/48/15/570874815.db2.gz ZPZGDAJNMUKMKH-KRWDZBQOSA-N 1 1 380.488 4.549 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(Br)c2)cc1 ZINC000015300745 570887979 /nfs/dbraw/zinc/88/79/79/570887979.db2.gz FFYQNOPSRLZKIQ-SFHVURJKSA-N 1 1 376.294 4.803 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(Br)c2)cc1 ZINC000015300745 570887981 /nfs/dbraw/zinc/88/79/81/570887981.db2.gz FFYQNOPSRLZKIQ-SFHVURJKSA-N 1 1 376.294 4.803 50 0 GJAAMO Cc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+](C)C)o1 ZINC000015860350 570907166 /nfs/dbraw/zinc/90/71/66/570907166.db2.gz HAGQEQUVZPKEKR-CQSZACIVSA-N 1 1 376.909 4.797 50 0 GJAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004027814 570907830 /nfs/dbraw/zinc/90/78/30/570907830.db2.gz HNOJVNYUMCALQT-MAUKXSAKSA-N 1 1 388.895 4.725 50 0 biogenic GJAAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000105051269 570913767 /nfs/dbraw/zinc/91/37/67/570913767.db2.gz NGBKUSFYRHTSBD-KNQAVFIVSA-N 1 1 386.511 4.527 50 0 GJAAMO COc1cccc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c1OC(F)F ZINC000089840218 570916703 /nfs/dbraw/zinc/91/67/03/570916703.db2.gz CVWFMMXNWRHJHG-UHFFFAOYSA-N 1 1 390.430 4.521 50 0 GJAAMO CC[N@@H+]1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 ZINC000023153866 570919653 /nfs/dbraw/zinc/91/96/53/570919653.db2.gz OGPXDWIJNNKVKH-UHFFFAOYSA-N 1 1 383.542 4.751 50 0 GJAAMO CC[N@H+]1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 ZINC000023153866 570919657 /nfs/dbraw/zinc/91/96/57/570919657.db2.gz OGPXDWIJNNKVKH-UHFFFAOYSA-N 1 1 383.542 4.751 50 0 GJAAMO C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC000007674341 571014765 /nfs/dbraw/zinc/01/47/65/571014765.db2.gz HPXYNNCYQVDCGY-QGZVFWFLSA-N 1 1 391.496 4.754 50 0 GJAAMO C[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC000007674341 571014767 /nfs/dbraw/zinc/01/47/67/571014767.db2.gz HPXYNNCYQVDCGY-QGZVFWFLSA-N 1 1 391.496 4.754 50 0 GJAAMO CCCc1cc(=O)[nH]c(-c2ccc(C[N@H+]3CCCC[C@H]3c3cccnc3)cc2)n1 ZINC000019535890 210259997 /nfs/dbraw/zinc/25/99/97/210259997.db2.gz MTXPWFYJEUHMCR-QFIPXVFZSA-N 1 1 388.515 4.512 50 0 GJAAMO O=c1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c2cc3c(cc2o1)CCC3 ZINC000017308024 210207690 /nfs/dbraw/zinc/20/76/90/210207690.db2.gz BZBIUIKVBGMNRA-IBGZPJMESA-N 1 1 395.524 4.524 50 0 GJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2)cc1 ZINC000014976493 210138956 /nfs/dbraw/zinc/13/89/56/210138956.db2.gz LGMDLPICCSQDAC-QHCPKHFHSA-N 1 1 382.573 5.000 50 0 GJAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)cc1C ZINC000014964111 210135314 /nfs/dbraw/zinc/13/53/14/210135314.db2.gz HCDYMNOYVMRZBI-NRFANRHFSA-N 1 1 379.500 4.610 50 0 GJAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)cc1C ZINC000014964111 210135319 /nfs/dbraw/zinc/13/53/19/210135319.db2.gz HCDYMNOYVMRZBI-NRFANRHFSA-N 1 1 379.500 4.610 50 0 GJAAMO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl ZINC000014774268 210126618 /nfs/dbraw/zinc/12/66/18/210126618.db2.gz TUKNTICRIPRCIU-GFCCVEGCSA-N 1 1 389.883 4.892 50 0 GJAAMO Cc1ccc(-n2cc(C[N@@H+](C)CCc3cn[nH]c3)c(-c3cccc(C)c3)n2)cc1 ZINC000013636833 210073610 /nfs/dbraw/zinc/07/36/10/210073610.db2.gz GGKDRNDVXYRWJG-UHFFFAOYSA-N 1 1 385.515 4.554 50 0 GJAAMO CSc1cccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@@H+]24)c1 ZINC000012748693 210000706 /nfs/dbraw/zinc/00/07/06/210000706.db2.gz GLHDELJMKFYJKD-SSPYTLHUSA-N 1 1 392.568 4.655 50 0 GJAAMO CCn1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c2ccccc21 ZINC000012439364 209958320 /nfs/dbraw/zinc/95/83/20/209958320.db2.gz BFWFUAFDOXUGHC-XMMPIXPASA-N 1 1 380.507 4.618 50 0 GJAAMO COC[C@@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000001447669 209329185 /nfs/dbraw/zinc/32/91/85/209329185.db2.gz PAYXANVYZBLTQK-OAHLLOKOSA-N 1 1 376.435 4.673 50 0 GJAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000000635798 209253173 /nfs/dbraw/zinc/25/31/73/209253173.db2.gz NAWVBLZNAIAHLQ-FCHUYYIVSA-N 1 1 398.491 4.861 50 0 GJAAMO O=C(/C=C\c1cccc(C(F)(F)F)c1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000097073762 209241483 /nfs/dbraw/zinc/24/14/83/209241483.db2.gz QTGLKCGLGDATIL-FPLPWBNLSA-N 1 1 394.462 4.515 50 0 GJAAMO Cc1cc(C)c2c(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cc(=O)oc2c1C ZINC000054106022 209212711 /nfs/dbraw/zinc/21/27/11/209212711.db2.gz ZMDWXMXHJMCDDO-UHFFFAOYSA-N 1 1 396.918 4.694 50 0 GJAAMO COc1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCCCC3)CC2)cc1 ZINC000004683199 204063211 /nfs/dbraw/zinc/06/32/11/204063211.db2.gz PPDCDNKBKNRYCA-UHFFFAOYSA-N 1 1 375.582 4.511 50 0 GJAAMO O=C(CSc1ccc2ccccc2c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000006589089 204185962 /nfs/dbraw/zinc/18/59/62/204185962.db2.gz FQNUFAOPDMZDGS-OAQYLSRUSA-N 1 1 394.540 4.868 50 0 GJAAMO Cc1nc2sc3c(c2c(NC[C@H](c2ccccc2Cl)[NH+](C)C)n1)CCC3 ZINC000006881421 204220638 /nfs/dbraw/zinc/22/06/38/204220638.db2.gz MBIKCHBKZPOIEK-MRXNPFEDSA-N 1 1 386.952 4.857 50 0 GJAAMO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008867672 204291133 /nfs/dbraw/zinc/29/11/33/204291133.db2.gz LXHOOXSCADCHPA-QGZVFWFLSA-N 1 1 386.879 4.863 50 0 GJAAMO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccs3)c2)cs1 ZINC000008073293 204260680 /nfs/dbraw/zinc/26/06/80/204260680.db2.gz YXKGMKPRBAUVIT-SFHVURJKSA-N 1 1 383.542 4.956 50 0 GJAAMO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H]3c3cccs3)c2)cs1 ZINC000008073293 204260684 /nfs/dbraw/zinc/26/06/84/204260684.db2.gz YXKGMKPRBAUVIT-SFHVURJKSA-N 1 1 383.542 4.956 50 0 GJAAMO COCC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2c(NCc2cccs2)n1 ZINC000011909579 204361103 /nfs/dbraw/zinc/36/11/03/204361103.db2.gz WTHGYCRGGYXCJP-KRWDZBQOSA-N 1 1 396.560 4.694 50 0 GJAAMO Cc1ncc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000012242403 204386492 /nfs/dbraw/zinc/38/64/92/204386492.db2.gz OOSMGYWMWZXNLP-OAHLLOKOSA-N 1 1 389.425 4.507 50 0 GJAAMO Cc1nc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c[nH]1 ZINC000012242403 204386495 /nfs/dbraw/zinc/38/64/95/204386495.db2.gz OOSMGYWMWZXNLP-OAHLLOKOSA-N 1 1 389.425 4.507 50 0 GJAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c[nH]1 ZINC000012242403 204386498 /nfs/dbraw/zinc/38/64/98/204386498.db2.gz OOSMGYWMWZXNLP-OAHLLOKOSA-N 1 1 389.425 4.507 50 0 GJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+]1CCCC(F)(F)F ZINC000012307469 204393760 /nfs/dbraw/zinc/39/37/60/204393760.db2.gz JXJNNFVQWIELFE-KRWDZBQOSA-N 1 1 393.409 4.619 50 0 GJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1CCCC(F)(F)F ZINC000012307469 204393765 /nfs/dbraw/zinc/39/37/65/204393765.db2.gz JXJNNFVQWIELFE-KRWDZBQOSA-N 1 1 393.409 4.619 50 0 GJAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345040 205010289 /nfs/dbraw/zinc/01/02/89/205010289.db2.gz DNEFRPPZDFADCU-JOCHJYFZSA-N 1 1 395.934 4.812 50 0 GJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](C)O ZINC000036316303 205011777 /nfs/dbraw/zinc/01/17/77/205011777.db2.gz OIMKCVUZZNBEAA-IBGZPJMESA-N 1 1 393.531 4.820 50 0 GJAAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)c1OC ZINC000036348244 205013127 /nfs/dbraw/zinc/01/31/27/205013127.db2.gz GSJPMXBNNNBLPV-JOCHJYFZSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)c1OC ZINC000036348244 205013131 /nfs/dbraw/zinc/01/31/31/205013131.db2.gz GSJPMXBNNNBLPV-JOCHJYFZSA-N 1 1 380.463 4.640 50 0 GJAAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000040156070 205060056 /nfs/dbraw/zinc/06/00/56/205060056.db2.gz NAPVSMRPFDLWPZ-CYBMUJFWSA-N 1 1 396.541 4.596 50 0 GJAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000055242872 205144882 /nfs/dbraw/zinc/14/48/82/205144882.db2.gz UALLQIILTAZTKX-GOSISDBHSA-N 1 1 397.544 4.586 50 0 GJAAMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000055242872 205144888 /nfs/dbraw/zinc/14/48/88/205144888.db2.gz UALLQIILTAZTKX-GOSISDBHSA-N 1 1 397.544 4.586 50 0 GJAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000063114055 205186189 /nfs/dbraw/zinc/18/61/89/205186189.db2.gz GGDFFROIMYFVKK-GFCCVEGCSA-N 1 1 381.328 4.688 50 0 GJAAMO Cc1nccn1CCC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067742196 205259322 /nfs/dbraw/zinc/25/93/22/205259322.db2.gz PAJKLBVZWKWOQF-UHFFFAOYSA-N 1 1 397.906 4.502 50 0 GJAAMO O[C@H]1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 ZINC000072411515 205347969 /nfs/dbraw/zinc/34/79/69/205347969.db2.gz USMVZCBUXUTKJN-NRFANRHFSA-N 1 1 378.903 4.611 50 0 GJAAMO CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000089893513 211186217 /nfs/dbraw/zinc/18/62/17/211186217.db2.gz LGGNYKYHOAYCMX-SJORKVTESA-N 1 1 377.529 4.552 50 0 GJAAMO CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000089893513 211186220 /nfs/dbraw/zinc/18/62/20/211186220.db2.gz LGGNYKYHOAYCMX-SJORKVTESA-N 1 1 377.529 4.552 50 0 GJAAMO COc1ccc2cc(C[N@H+]3CCC[C@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072480910 211123743 /nfs/dbraw/zinc/12/37/43/211123743.db2.gz RFBWQOJUDIAMME-IBGZPJMESA-N 1 1 382.891 4.521 50 0 GJAAMO CC(C)Nc1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)cn1 ZINC000071754059 211057766 /nfs/dbraw/zinc/05/77/66/211057766.db2.gz FQHLLTTVHXGJIL-QFIPXVFZSA-N 1 1 388.515 4.545 50 0 GJAAMO CC(C)Nc1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)cn1 ZINC000071754059 211057770 /nfs/dbraw/zinc/05/77/70/211057770.db2.gz FQHLLTTVHXGJIL-QFIPXVFZSA-N 1 1 388.515 4.545 50 0 GJAAMO COc1cccc(C[N@@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)c1 ZINC000067946355 211031111 /nfs/dbraw/zinc/03/11/11/211031111.db2.gz NCYZHZDGTBOJCE-UHFFFAOYSA-N 1 1 375.468 4.771 50 0 GJAAMO COc1cccc(C[N@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)c1 ZINC000067946355 211031115 /nfs/dbraw/zinc/03/11/15/211031115.db2.gz NCYZHZDGTBOJCE-UHFFFAOYSA-N 1 1 375.468 4.771 50 0 GJAAMO Cc1cnn(CCC[N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 ZINC000067723757 211019782 /nfs/dbraw/zinc/01/97/82/211019782.db2.gz AHRUNSGFDATQHQ-UHFFFAOYSA-N 1 1 397.906 4.502 50 0 GJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000021794191 210393368 /nfs/dbraw/zinc/39/33/68/210393368.db2.gz KOTHORIKKKCFFK-UHFFFAOYSA-N 1 1 391.450 4.520 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794191 210393373 /nfs/dbraw/zinc/39/33/73/210393373.db2.gz KOTHORIKKKCFFK-UHFFFAOYSA-N 1 1 391.450 4.520 50 0 GJAAMO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(OCC)cc2)no1 ZINC000021720007 210390923 /nfs/dbraw/zinc/39/09/23/210390923.db2.gz MZNFJTPEOSUFSZ-NRFANRHFSA-N 1 1 380.492 4.753 50 0 GJAAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(OCC)cc2)no1 ZINC000021720007 210390925 /nfs/dbraw/zinc/39/09/25/210390925.db2.gz MZNFJTPEOSUFSZ-NRFANRHFSA-N 1 1 380.492 4.753 50 0 GJAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCCC(C)C)[C@H]2c1ccccc1 ZINC000021045478 210375929 /nfs/dbraw/zinc/37/59/29/210375929.db2.gz KMNZNYNEPFRLKR-QFIPXVFZSA-N 1 1 384.589 4.729 50 0 GJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCCC(C)C)[C@H]2c1ccccc1 ZINC000021045478 210375932 /nfs/dbraw/zinc/37/59/32/210375932.db2.gz KMNZNYNEPFRLKR-QFIPXVFZSA-N 1 1 384.589 4.729 50 0 GJAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000020993065 210373092 /nfs/dbraw/zinc/37/30/92/210373092.db2.gz UOXVWZASDOIPRU-KRWDZBQOSA-N 1 1 384.911 4.945 50 0 GJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2ccccc2OC)c(F)c1 ZINC000020515250 210343051 /nfs/dbraw/zinc/34/30/51/210343051.db2.gz QRQCJGLKYYSVLA-FQEVSTJZSA-N 1 1 381.451 4.570 50 0 GJAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c(C)[nH]c4ccccc43)C2)c(OC)c1 ZINC000012074919 221148160 /nfs/dbraw/zinc/14/81/60/221148160.db2.gz JROJDGNPVQRXAG-QGZVFWFLSA-N 1 1 392.499 4.588 50 0 GJAAMO C[C@@H]1CN(c2ccccc2C[N@H+]2CCCCC[C@@H]2c2ccncc2)C[C@H](C)O1 ZINC000095453809 136179267 /nfs/dbraw/zinc/17/92/67/136179267.db2.gz VAJSQJIBUOOABE-ZRCGQRJVSA-N 1 1 379.548 4.813 50 0 GJAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000019867495 570226528 /nfs/dbraw/zinc/22/65/28/570226528.db2.gz NUFRHQUOJBDQHD-QGZVFWFLSA-N 1 1 395.453 4.669 50 0 GJAAMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048286139 570231689 /nfs/dbraw/zinc/23/16/89/570231689.db2.gz DOHSKNGACPBCAY-RHSMWYFYSA-N 1 1 385.558 4.542 50 0 GJAAMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048286139 570231694 /nfs/dbraw/zinc/23/16/94/570231694.db2.gz DOHSKNGACPBCAY-RHSMWYFYSA-N 1 1 385.558 4.542 50 0 GJAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)c1 ZINC000001447699 570263499 /nfs/dbraw/zinc/26/34/99/570263499.db2.gz XMBVQVRWJNIZJO-FQEVSTJZSA-N 1 1 384.483 4.987 50 0 GJAAMO CC(C)c1ccc(C[NH+]2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000022802674 570329302 /nfs/dbraw/zinc/32/93/02/570329302.db2.gz MCMBNVLGFJEKHO-QGZVFWFLSA-N 1 1 396.560 4.800 50 0 GJAAMO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000022875278 570332544 /nfs/dbraw/zinc/33/25/44/570332544.db2.gz LNLSMCXSDQPXEF-UHFFFAOYSA-N 1 1 384.523 4.744 50 0 GJAAMO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000023989550 570376228 /nfs/dbraw/zinc/37/62/28/570376228.db2.gz NJHWPLJIOHDJMX-OAHLLOKOSA-N 1 1 394.475 4.865 50 0 GJAAMO COc1cc(C[NH2+][C@@H](C)c2ccccc2Br)cc(Cl)c1OC ZINC000022777721 570377312 /nfs/dbraw/zinc/37/73/12/570377312.db2.gz IMMKIBGHYUGSAN-NSHDSACASA-N 1 1 384.701 4.971 50 0 GJAAMO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1Cl ZINC000024364492 570382888 /nfs/dbraw/zinc/38/28/88/570382888.db2.gz JVFQLHFJANPFHZ-AWEZNQCLSA-N 1 1 386.879 4.671 50 0 GJAAMO CN(C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 ZINC000025033297 570403337 /nfs/dbraw/zinc/40/33/37/570403337.db2.gz HZABQPSKBSSCPN-UHFFFAOYSA-N 1 1 399.947 4.792 50 0 GJAAMO c1ccc(CC[N@@H+](Cc2ccccc2)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000004818794 570408151 /nfs/dbraw/zinc/40/81/51/570408151.db2.gz AYLLUPLLELUZEU-UHFFFAOYSA-N 1 1 385.555 4.791 50 0 GJAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C)c1ccc(-c2ccccc2)cc1 ZINC000239338709 570429366 /nfs/dbraw/zinc/42/93/66/570429366.db2.gz KZUDQFQQDYTJBX-DVECYGJZSA-N 1 1 387.527 4.706 50 0 GJAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C)c1ccc(-c2ccccc2)cc1 ZINC000239338709 570429371 /nfs/dbraw/zinc/42/93/71/570429371.db2.gz KZUDQFQQDYTJBX-DVECYGJZSA-N 1 1 387.527 4.706 50 0 GJAAMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000248086013 570439101 /nfs/dbraw/zinc/43/91/01/570439101.db2.gz DOHSKNGACPBCAY-YOEHRIQHSA-N 1 1 385.558 4.542 50 0 GJAAMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000248086013 570439104 /nfs/dbraw/zinc/43/91/04/570439104.db2.gz DOHSKNGACPBCAY-YOEHRIQHSA-N 1 1 385.558 4.542 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000248093794 570439368 /nfs/dbraw/zinc/43/93/68/570439368.db2.gz CQPDJPZKKZTSOW-MBSDFSHPSA-N 1 1 389.499 4.982 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000248093794 570439372 /nfs/dbraw/zinc/43/93/72/570439372.db2.gz CQPDJPZKKZTSOW-MBSDFSHPSA-N 1 1 389.499 4.982 50 0 GJAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000035840445 570463352 /nfs/dbraw/zinc/46/33/52/570463352.db2.gz LJZOCOHHUUXQMU-SANMLTNESA-N 1 1 390.571 4.988 50 0 GJAAMO COc1ccc(Br)cc1C[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000030901743 570501083 /nfs/dbraw/zinc/50/10/83/570501083.db2.gz QWLVVRVIYQKOKM-UHFFFAOYSA-N 1 1 399.288 4.935 50 0 GJAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)no2)cc1C ZINC000032622961 570512550 /nfs/dbraw/zinc/51/25/50/570512550.db2.gz YVJYOVKMGLLYAP-FQEVSTJZSA-N 1 1 393.487 4.508 50 0 GJAAMO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC12CC3CC(CC(C3)C1)C2 ZINC000008745695 570539841 /nfs/dbraw/zinc/53/98/41/570539841.db2.gz ZMUWEGWDOFCFBE-UHFFFAOYSA-N 1 1 380.454 4.792 50 0 GJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103040 570540019 /nfs/dbraw/zinc/54/00/19/570540019.db2.gz FFKVRIASNBKIPU-QFIPXVFZSA-N 1 1 379.475 4.576 50 0 GJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103040 570540020 /nfs/dbraw/zinc/54/00/20/570540020.db2.gz FFKVRIASNBKIPU-QFIPXVFZSA-N 1 1 379.475 4.576 50 0 GJAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)c1 ZINC000036103961 570540963 /nfs/dbraw/zinc/54/09/63/570540963.db2.gz RMICWCMZWZBILZ-QHCPKHFHSA-N 1 1 397.490 4.615 50 0 GJAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800844 570547666 /nfs/dbraw/zinc/54/76/66/570547666.db2.gz HGWQJYVJXUHDPM-UHFFFAOYSA-N 1 1 391.450 4.520 50 0 GJAAMO Cc1ccc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907869 570564143 /nfs/dbraw/zinc/56/41/43/570564143.db2.gz FONLCULXJQRIRO-OAQYLSRUSA-N 1 1 376.525 4.586 50 0 GJAAMO Cc1ccc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907869 570564146 /nfs/dbraw/zinc/56/41/46/570564146.db2.gz FONLCULXJQRIRO-OAQYLSRUSA-N 1 1 376.525 4.586 50 0 GJAAMO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)c(C)o2)c(OC)c1 ZINC000011668161 570579484 /nfs/dbraw/zinc/57/94/84/570579484.db2.gz RGXOVBJDGCXGCH-OAQYLSRUSA-N 1 1 393.487 4.789 50 0 GJAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3ccccn3)c(C)o2)c(OC)c1 ZINC000011668161 570579488 /nfs/dbraw/zinc/57/94/88/570579488.db2.gz RGXOVBJDGCXGCH-OAQYLSRUSA-N 1 1 393.487 4.789 50 0 GJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](C)O ZINC000036307201 570604289 /nfs/dbraw/zinc/60/42/89/570604289.db2.gz HDYFIRCKAWFCNT-QGZVFWFLSA-N 1 1 397.494 4.611 50 0 GJAAMO CCc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)o1 ZINC000012090788 570607258 /nfs/dbraw/zinc/60/72/58/570607258.db2.gz POUWBKGQDDTEDM-KRWDZBQOSA-N 1 1 395.528 4.816 50 0 GJAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 ZINC000043056862 570624842 /nfs/dbraw/zinc/62/48/42/570624842.db2.gz LZACOIXMKYKKHJ-MRXNPFEDSA-N 1 1 383.442 4.743 50 0 GJAAMO CCCCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000005525128 570624908 /nfs/dbraw/zinc/62/49/08/570624908.db2.gz BMHLFGLJULFBDW-JTHBVZDNSA-N 1 1 378.516 4.622 50 0 GJAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)c(OC)c1 ZINC000012207059 570625968 /nfs/dbraw/zinc/62/59/68/570625968.db2.gz UXSVRUARIPGQDL-QGZVFWFLSA-N 1 1 379.456 4.545 50 0 GJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036345925 570627968 /nfs/dbraw/zinc/62/79/68/570627968.db2.gz URNLQSQUKVMNJZ-LJQANCHMSA-N 1 1 393.531 4.874 50 0 GJAAMO Clc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc3c(c2)OCCO3)c1 ZINC000036347509 570629202 /nfs/dbraw/zinc/62/92/02/570629202.db2.gz HDJPLNUXSXWDJY-QHCPKHFHSA-N 1 1 394.902 4.908 50 0 GJAAMO Clc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)c1 ZINC000036347509 570629204 /nfs/dbraw/zinc/62/92/04/570629204.db2.gz HDJPLNUXSXWDJY-QHCPKHFHSA-N 1 1 394.902 4.908 50 0 GJAAMO Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccn4)C3)c2)c1 ZINC000012431555 570659718 /nfs/dbraw/zinc/65/97/18/570659718.db2.gz WPRVPLWIYMDIIC-JOCHJYFZSA-N 1 1 385.511 4.908 50 0 GJAAMO Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877394 570668380 /nfs/dbraw/zinc/66/83/80/570668380.db2.gz LFUODTXJSXEVKI-SFHVURJKSA-N 1 1 397.950 4.951 50 0 GJAAMO Cc1c(Cl)cccc1NC(=O)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877320 570668461 /nfs/dbraw/zinc/66/84/61/570668461.db2.gz JUVYEUDTHKAXCN-UHFFFAOYSA-N 1 1 397.950 4.951 50 0 GJAAMO c1cc(C[N@@H+](Cc2cccc(Oc3ncccn3)c2)C[C@H]2CCCO2)cs1 ZINC000055133856 570684721 /nfs/dbraw/zinc/68/47/21/570684721.db2.gz SMUWVLLSMLXXJI-HXUWFJFHSA-N 1 1 381.501 4.512 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc(OC)cc3)c(C)o2)cc1 ZINC000012592479 570687768 /nfs/dbraw/zinc/68/77/68/570687768.db2.gz WGWGCPTVZKIVKB-OAHLLOKOSA-N 1 1 394.471 4.638 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc(OC)cc3)c(C)o2)cc1 ZINC000012592479 570687771 /nfs/dbraw/zinc/68/77/71/570687771.db2.gz WGWGCPTVZKIVKB-OAHLLOKOSA-N 1 1 394.471 4.638 50 0 GJAAMO C[N@@H+](CCNC(=O)c1ccc(N2CCCc3ccccc32)s1)C1CCCCC1 ZINC000006913798 570700928 /nfs/dbraw/zinc/70/09/28/570700928.db2.gz JDOBEECZSNOTDZ-UHFFFAOYSA-N 1 1 397.588 4.827 50 0 GJAAMO Cc1nn(C)cc1C[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000012716537 570704922 /nfs/dbraw/zinc/70/49/22/570704922.db2.gz QOSLZWMTQNAALN-UHFFFAOYSA-N 1 1 399.542 4.830 50 0 GJAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000012716537 570704924 /nfs/dbraw/zinc/70/49/24/570704924.db2.gz QOSLZWMTQNAALN-UHFFFAOYSA-N 1 1 399.542 4.830 50 0 GJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc1OC ZINC000006922843 570706993 /nfs/dbraw/zinc/70/69/93/570706993.db2.gz QZYSXKPKTXYODP-ZODMCCGTSA-N 1 1 395.543 4.881 50 0 biogenic GJAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000058167945 570714290 /nfs/dbraw/zinc/71/42/90/570714290.db2.gz UCAMZGYOHDGDOK-LJQANCHMSA-N 1 1 387.911 4.564 50 0 GJAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000012803810 570718482 /nfs/dbraw/zinc/71/84/82/570718482.db2.gz FKOUDMPWCVFUNR-HXUWFJFHSA-N 1 1 379.456 4.543 50 0 GJAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000058343526 570728133 /nfs/dbraw/zinc/72/81/33/570728133.db2.gz VTJAJAIGHWSCPL-HXUWFJFHSA-N 1 1 388.515 4.611 50 0 GJAAMO CCSC[C@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000206792894 570752570 /nfs/dbraw/zinc/75/25/70/570752570.db2.gz HSHWAVRMDTWTJX-HXUWFJFHSA-N 1 1 375.582 4.517 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)c3cc(C)ccc3C)cc2)cc(C)[nH+]1 ZINC000064800798 570756627 /nfs/dbraw/zinc/75/66/27/570756627.db2.gz QIWSERZQTAGYLI-UHFFFAOYSA-N 1 1 375.476 4.830 50 0 GJAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](C[C@@H]1CCO[C@@H](C)C1)CC2 ZINC000170592987 570851822 /nfs/dbraw/zinc/85/18/22/570851822.db2.gz VIBMWMUNMXVJMU-WJONJSRFSA-N 1 1 387.545 4.528 50 0 GJAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21)C1CCCCC1 ZINC000012552902 570855728 /nfs/dbraw/zinc/85/57/28/570855728.db2.gz FSIWMJQTIAEWJL-HXUWFJFHSA-N 1 1 391.515 4.516 50 0 GJAAMO CCc1ccc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000012557053 570859671 /nfs/dbraw/zinc/85/96/71/570859671.db2.gz SPUNRMWIQDUZQH-UHFFFAOYSA-N 1 1 386.561 4.814 50 0 GJAAMO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000032869477 570864309 /nfs/dbraw/zinc/86/43/09/570864309.db2.gz CKOVWMLOCGAHKC-UHFFFAOYSA-N 1 1 391.559 4.545 50 0 GJAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000015074488 570878471 /nfs/dbraw/zinc/87/84/71/570878471.db2.gz RBQXTFHEZSZMPS-FQEVSTJZSA-N 1 1 391.540 4.689 50 0 GJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC(F)F)c(OC)c2)c(OC)c1 ZINC000015367164 570892996 /nfs/dbraw/zinc/89/29/96/570892996.db2.gz BBTFJYCVMITQNY-QGZVFWFLSA-N 1 1 393.430 4.651 50 0 GJAAMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000106528107 570964607 /nfs/dbraw/zinc/96/46/07/570964607.db2.gz CFYURJGRNNQFBF-QUCCMNQESA-N 1 1 391.273 4.771 50 0 GJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2C)[C@H](C)C(C)C)n1 ZINC000106597438 570966573 /nfs/dbraw/zinc/96/65/73/570966573.db2.gz XJEKSRRLXRJKJU-RTBURBONSA-N 1 1 385.552 4.866 50 0 GJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2C)[C@H](C)C(C)C)n1 ZINC000106597438 570966575 /nfs/dbraw/zinc/96/65/75/570966575.db2.gz XJEKSRRLXRJKJU-RTBURBONSA-N 1 1 385.552 4.866 50 0 GJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000107174852 570972231 /nfs/dbraw/zinc/97/22/31/570972231.db2.gz NDARNUNVWAZQCT-RHSMWYFYSA-N 1 1 383.923 4.679 50 0 GJAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000002152644 570972998 /nfs/dbraw/zinc/97/29/98/570972998.db2.gz XOZQFEQVRDICDF-PMRSGIFKSA-N 1 1 393.527 4.782 50 0 GJAAMO C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000107335602 570973065 /nfs/dbraw/zinc/97/30/65/570973065.db2.gz MTLCJTGEUVTNQR-ORAYPTAESA-N 1 1 390.405 4.719 50 0 GJAAMO C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000107335602 570973070 /nfs/dbraw/zinc/97/30/70/570973070.db2.gz MTLCJTGEUVTNQR-ORAYPTAESA-N 1 1 390.405 4.719 50 0 GJAAMO C[N@H+]1CCC[C@H]1CCSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000083877915 570975124 /nfs/dbraw/zinc/97/51/24/570975124.db2.gz UKUKVWGSIRFMIG-FQEVSTJZSA-N 1 1 396.535 4.709 50 0 GJAAMO N=C1N(Cc2ccccc2)c2ccccc2[N@@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000018286259 210219724 /nfs/dbraw/zinc/21/97/24/210219724.db2.gz XLWMPYMNCNRIDQ-UHFFFAOYSA-N 1 1 399.538 4.756 50 0 GJAAMO N=C1N(Cc2ccccc2)c2ccccc2[N@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000018286259 210219728 /nfs/dbraw/zinc/21/97/28/210219728.db2.gz XLWMPYMNCNRIDQ-UHFFFAOYSA-N 1 1 399.538 4.756 50 0 GJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000015074487 210150527 /nfs/dbraw/zinc/15/05/27/210150527.db2.gz RBQXTFHEZSZMPS-HXUWFJFHSA-N 1 1 391.540 4.689 50 0 GJAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000012939342 210034471 /nfs/dbraw/zinc/03/44/71/210034471.db2.gz LCQZKYKGTGCMDQ-IBGZPJMESA-N 1 1 392.528 4.587 50 0 GJAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000012939342 210034475 /nfs/dbraw/zinc/03/44/75/210034475.db2.gz LCQZKYKGTGCMDQ-IBGZPJMESA-N 1 1 392.528 4.587 50 0 GJAAMO CC1CCC([N@@H+](C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1 ZINC000012811978 210012685 /nfs/dbraw/zinc/01/26/85/210012685.db2.gz OZNGVWDDBQFEBD-LEOMRAHMSA-N 1 1 385.533 4.529 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3ccc(C)cc3C)ccc2c1 ZINC000012748864 210002085 /nfs/dbraw/zinc/00/20/85/210002085.db2.gz SHFVZDOZIBYVGZ-GOSISDBHSA-N 1 1 376.500 4.924 50 0 GJAAMO Cc1cc(NC(=O)[C@@H](Nc2ccc([NH+]3CCCC3)c(C)c2)c2ccccc2)no1 ZINC000012507167 209964422 /nfs/dbraw/zinc/96/44/22/209964422.db2.gz GGXSIJRIMJQCHZ-QFIPXVFZSA-N 1 1 390.487 4.684 50 0 GJAAMO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000010382226 209339183 /nfs/dbraw/zinc/33/91/83/209339183.db2.gz BBUWDIHOCXGOIM-UHFFFAOYSA-N 1 1 378.303 4.733 50 0 GJAAMO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000010382226 209339187 /nfs/dbraw/zinc/33/91/87/209339187.db2.gz BBUWDIHOCXGOIM-UHFFFAOYSA-N 1 1 378.303 4.733 50 0 GJAAMO [NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000001263482 209317970 /nfs/dbraw/zinc/31/79/70/209317970.db2.gz WCXHOKYYRNPCHX-HNNXBMFYSA-N 1 1 380.300 4.911 50 0 GJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2Cl)CC1 ZINC000005353056 204128812 /nfs/dbraw/zinc/12/88/12/204128812.db2.gz UWAFXTRHTZSJDV-UHFFFAOYSA-N 1 1 392.330 4.696 50 0 GJAAMO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000007982663 204257278 /nfs/dbraw/zinc/25/72/78/204257278.db2.gz OWORCXYGNKNVCD-OAHLLOKOSA-N 1 1 395.528 4.756 50 0 GJAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(C)o2)C3)cc1 ZINC000011871213 204359562 /nfs/dbraw/zinc/35/95/62/204359562.db2.gz HLGJUKRNXYWQKA-UHFFFAOYSA-N 1 1 379.456 4.667 50 0 GJAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(C)o2)C3)cc1 ZINC000011871213 204359565 /nfs/dbraw/zinc/35/95/65/204359565.db2.gz HLGJUKRNXYWQKA-UHFFFAOYSA-N 1 1 379.456 4.667 50 0 GJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](C3CCSCC3)C2)cc1Cl ZINC000011933091 204362227 /nfs/dbraw/zinc/36/22/27/204362227.db2.gz ULJGDUOSRWDDHP-HNNXBMFYSA-N 1 1 396.984 4.675 50 0 GJAAMO CCOc1ccccc1-c1nc(C[N@@H+](CC2CCC2)C[C@H]2CCCO2)c(C)o1 ZINC000011997422 204366325 /nfs/dbraw/zinc/36/63/25/204366325.db2.gz LLTKNXXQDZBPHH-LJQANCHMSA-N 1 1 384.520 4.830 50 0 GJAAMO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000012200511 204381872 /nfs/dbraw/zinc/38/18/72/204381872.db2.gz RCAPBGSXOBRFMC-XMMPIXPASA-N 1 1 381.564 4.665 50 0 GJAAMO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)s1 ZINC000012313782 204396419 /nfs/dbraw/zinc/39/64/19/204396419.db2.gz WYSQRJXQAMIILB-OAHLLOKOSA-N 1 1 396.478 4.717 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)c(C)c1 ZINC000036098978 205004811 /nfs/dbraw/zinc/00/48/11/205004811.db2.gz GYGVOFWFOFPTIZ-DEOSSOPVSA-N 1 1 393.502 4.885 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344599 205010348 /nfs/dbraw/zinc/01/03/48/205010348.db2.gz SXTNREXCYMOCPV-XMMPIXPASA-N 1 1 389.543 4.775 50 0 GJAAMO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036343542 205011124 /nfs/dbraw/zinc/01/11/24/205011124.db2.gz ZDEDKENYYNIZCX-XMMPIXPASA-N 1 1 389.543 4.775 50 0 GJAAMO Cc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036343679 205011886 /nfs/dbraw/zinc/01/18/86/205011886.db2.gz ULZBPIVAOKORLR-MBSDFSHPSA-N 1 1 393.506 4.686 50 0 GJAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3F)C2)c1 ZINC000036345456 205012643 /nfs/dbraw/zinc/01/26/43/205012643.db2.gz QMMBEBRVEPDYKH-QHCPKHFHSA-N 1 1 393.506 4.544 50 0 GJAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2csc(-c3cnn(C)c3)n2)cc1 ZINC000040149678 205058058 /nfs/dbraw/zinc/05/80/58/205058058.db2.gz GFGDEBHWBDEJTQ-HXUWFJFHSA-N 1 1 382.533 4.670 50 0 GJAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+]([C@@H]1CCSC1)CC2 ZINC000043159180 205082411 /nfs/dbraw/zinc/08/24/11/205082411.db2.gz ZAYLDBJBXASQCG-DYESRHJHSA-N 1 1 389.948 4.810 50 0 GJAAMO Cc1nc(CSCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cs1 ZINC000046934575 205108463 /nfs/dbraw/zinc/10/84/63/205108463.db2.gz HZVXOLCSGJXQJK-OAHLLOKOSA-N 1 1 389.590 4.555 50 0 GJAAMO COc1nc(C)cc(C)c1C[NH2+]Cc1cnc(-c2ccc3ccccc3c2)nc1 ZINC000055392921 205149822 /nfs/dbraw/zinc/14/98/22/205149822.db2.gz SSSANHKGZCGBFT-UHFFFAOYSA-N 1 1 384.483 4.607 50 0 GJAAMO CCC[N@@H+](Cc1cc(=O)n2ccccc2n1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000059404964 205178909 /nfs/dbraw/zinc/17/89/09/205178909.db2.gz UJUPOHMINMNKEI-AWEZNQCLSA-N 1 1 390.314 4.975 50 0 GJAAMO O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285545 205182113 /nfs/dbraw/zinc/18/21/13/205182113.db2.gz CLBKKOQQOYRMIA-UHFFFAOYSA-N 1 1 395.355 4.723 50 0 GJAAMO CCCn1ncc(-c2c(-c3ccccc3)ncn2CC[C@H]2CCC[N@H+]2C)c1C ZINC000065406197 205233201 /nfs/dbraw/zinc/23/32/01/205233201.db2.gz QKZMMCZDOXYTBV-HXUWFJFHSA-N 1 1 377.536 4.616 50 0 GJAAMO Cn1ncc(C[N@@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)c1C1CC1 ZINC000067852042 205263484 /nfs/dbraw/zinc/26/34/84/205263484.db2.gz WXRPBZIPZGPMTF-UHFFFAOYSA-N 1 1 384.483 4.664 50 0 GJAAMO Cn1ncc(C[N@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)c1C1CC1 ZINC000067852042 205263488 /nfs/dbraw/zinc/26/34/88/205263488.db2.gz WXRPBZIPZGPMTF-UHFFFAOYSA-N 1 1 384.483 4.664 50 0 GJAAMO COc1ccc2cc(C[N@H+](C)Cc3cc[nH]n3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072436353 205351701 /nfs/dbraw/zinc/35/17/01/205351701.db2.gz ATBFQVVMACZXAV-UHFFFAOYSA-N 1 1 392.890 4.919 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)Cc3cc[nH]n3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072436353 205351705 /nfs/dbraw/zinc/35/17/05/205351705.db2.gz ATBFQVVMACZXAV-UHFFFAOYSA-N 1 1 392.890 4.919 50 0 GJAAMO OC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000072481532 205355364 /nfs/dbraw/zinc/35/53/64/205355364.db2.gz HUTVNCQPTTUAKP-INIZCTEOSA-N 1 1 399.897 4.536 50 0 GJAAMO COc1ccc2c(C)cc3nn(C[N@@H+]4CCC[C@H]5CCCC[C@H]54)c(=S)n3c2c1 ZINC000229996131 206110947 /nfs/dbraw/zinc/11/09/47/206110947.db2.gz VEAGFMGVFNJHKI-VQIMIIECSA-N 1 1 396.560 4.948 50 0 GJAAMO COc1ccc2c(C)cc3nn(C[N@H+]4CCC[C@H]5CCCC[C@H]54)c(=S)n3c2c1 ZINC000229996131 206110954 /nfs/dbraw/zinc/11/09/54/206110954.db2.gz VEAGFMGVFNJHKI-VQIMIIECSA-N 1 1 396.560 4.948 50 0 GJAAMO CC(C)Nc1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cn1 ZINC000071754060 211058946 /nfs/dbraw/zinc/05/89/46/211058946.db2.gz FQHLLTTVHXGJIL-JOCHJYFZSA-N 1 1 388.515 4.545 50 0 GJAAMO CC(C)Nc1ncc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cn1 ZINC000071754060 211058949 /nfs/dbraw/zinc/05/89/49/211058949.db2.gz FQHLLTTVHXGJIL-JOCHJYFZSA-N 1 1 388.515 4.545 50 0 GJAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCCC(C)C)[C@@H]2c1ccccc1 ZINC000021045472 210376397 /nfs/dbraw/zinc/37/63/97/210376397.db2.gz KMNZNYNEPFRLKR-JOCHJYFZSA-N 1 1 384.589 4.729 50 0 GJAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCCC(C)C)[C@@H]2c1ccccc1 ZINC000021045472 210376399 /nfs/dbraw/zinc/37/63/99/210376399.db2.gz KMNZNYNEPFRLKR-JOCHJYFZSA-N 1 1 384.589 4.729 50 0 GJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)C1 ZINC000020329918 210329821 /nfs/dbraw/zinc/32/98/21/210329821.db2.gz WGOFZVHRBUOWQE-GASCZTMLSA-N 1 1 399.926 4.718 50 0 GJAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000019867498 210304522 /nfs/dbraw/zinc/30/45/22/210304522.db2.gz NUFRHQUOJBDQHD-KRWDZBQOSA-N 1 1 395.453 4.669 50 0 GJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(F)cc1 ZINC000011933157 221137338 /nfs/dbraw/zinc/13/73/38/221137338.db2.gz WAOBIZUHEKXKLE-SFHVURJKSA-N 1 1 388.914 4.506 50 0 GJAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1)c1ccco1 ZINC000012073092 221146635 /nfs/dbraw/zinc/14/66/35/221146635.db2.gz UTUBNPGTPZKVGI-FQEVSTJZSA-N 1 1 390.483 4.714 50 0 GJAAMO Cc1cc(Nc2ccc(NC(=O)c3cccs3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800966 136157885 /nfs/dbraw/zinc/15/78/85/136157885.db2.gz WMQHYVAYVLRFRD-UHFFFAOYSA-N 1 1 393.516 4.833 50 0 GJAAMO Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000020432003 570255546 /nfs/dbraw/zinc/25/55/46/570255546.db2.gz LUEXTQZEWNFRIZ-UHFFFAOYSA-N 1 1 382.916 4.773 50 0 GJAAMO Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000020432003 570255549 /nfs/dbraw/zinc/25/55/49/570255549.db2.gz LUEXTQZEWNFRIZ-UHFFFAOYSA-N 1 1 382.916 4.773 50 0 GJAAMO CC(C)c1ccc(N[C@H]2CCC[N@H+](C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000020455279 570258768 /nfs/dbraw/zinc/25/87/68/570258768.db2.gz DMSYFKSAHZNHEC-DEOSSOPVSA-N 1 1 392.591 4.746 50 0 GJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccccc2)on1 ZINC000021805498 570296765 /nfs/dbraw/zinc/29/67/65/570296765.db2.gz YJYQJOCNLJNIIP-FQEVSTJZSA-N 1 1 395.890 4.562 50 0 GJAAMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000022914325 570334589 /nfs/dbraw/zinc/33/45/89/570334589.db2.gz CUXKYTFOCYWFKB-DLBZAZTESA-N 1 1 396.922 4.830 50 0 GJAAMO c1c2ccccc2sc1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023374891 570358178 /nfs/dbraw/zinc/35/81/78/570358178.db2.gz XSERZDCOXUIGCZ-QFIPXVFZSA-N 1 1 391.584 4.688 50 0 GJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)c(OC)c1 ZINC000006300089 570365292 /nfs/dbraw/zinc/36/52/92/570365292.db2.gz HHQJJPINVCIKAC-VJTSUQJLSA-N 1 1 395.543 4.881 50 0 biogenic GJAAMO CCOc1ccc(NC(=O)NCCCn2c(C)[nH+]c3cc(C)c(C)cc32)cc1 ZINC000004919428 570366126 /nfs/dbraw/zinc/36/61/26/570366126.db2.gz PTYNLHPIEJHSPN-UHFFFAOYSA-N 1 1 380.492 4.572 50 0 GJAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024961891 570399787 /nfs/dbraw/zinc/39/97/87/570399787.db2.gz FSSJNYXEBFJICT-HXUWFJFHSA-N 1 1 376.456 4.758 50 0 GJAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024961891 570399789 /nfs/dbraw/zinc/39/97/89/570399789.db2.gz FSSJNYXEBFJICT-HXUWFJFHSA-N 1 1 376.456 4.758 50 0 GJAAMO C[C@H]([NH2+]CC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1ccco1 ZINC000024985063 570401775 /nfs/dbraw/zinc/40/17/75/570401775.db2.gz QRHDYFKUAHGKTE-LPHOPBHVSA-N 1 1 378.497 4.810 50 0 GJAAMO Clc1ccc(-c2ccc(CN3CC[N@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)o2)cc1 ZINC000239432858 570429889 /nfs/dbraw/zinc/42/98/89/570429889.db2.gz WQNYQIKLPXBRNE-UPVQGACJSA-N 1 1 398.978 5.829 50 0 GJAAMO Clc1ccc(-c2ccc(C[N@@H+]3CCN4CCC[C@H]4[C@@H]3C3CCCCC3)o2)cc1 ZINC000239432858 570429892 /nfs/dbraw/zinc/42/98/92/570429892.db2.gz WQNYQIKLPXBRNE-UPVQGACJSA-N 1 1 398.978 5.829 50 0 GJAAMO Clc1ccc(-c2ccc(C[N@H+]3CCN4CCC[C@H]4[C@@H]3C3CCCCC3)o2)cc1 ZINC000239432858 570429895 /nfs/dbraw/zinc/42/98/95/570429895.db2.gz WQNYQIKLPXBRNE-UPVQGACJSA-N 1 1 398.978 5.829 50 0 GJAAMO CC(=O)c1ccc(N2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000005383502 570436891 /nfs/dbraw/zinc/43/68/91/570436891.db2.gz RFGBBCRANYUGTP-UHFFFAOYSA-N 1 1 382.507 4.783 50 0 GJAAMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000248125015 570442327 /nfs/dbraw/zinc/44/23/27/570442327.db2.gz OJMORDKMELMKPD-ZBFHGGJFSA-N 1 1 385.558 4.714 50 0 GJAAMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000248125015 570442330 /nfs/dbraw/zinc/44/23/30/570442330.db2.gz OJMORDKMELMKPD-ZBFHGGJFSA-N 1 1 385.558 4.714 50 0 GJAAMO CCC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840473 570463205 /nfs/dbraw/zinc/46/32/05/570463205.db2.gz DYDOTNOLUQMPCS-DEOSSOPVSA-N 1 1 380.507 4.839 50 0 GJAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000035840443 570463485 /nfs/dbraw/zinc/46/34/85/570463485.db2.gz LJZOCOHHUUXQMU-AREMUKBSSA-N 1 1 390.571 4.988 50 0 GJAAMO Cc1sc2[nH]c([C@@H](C)Nc3ccc([NH+]4CCCC4)c(C)c3)nc(=O)c2c1C ZINC000030448705 570489556 /nfs/dbraw/zinc/48/95/56/570489556.db2.gz ZKYRLMXLAJPNJE-CQSZACIVSA-N 1 1 382.533 4.683 50 0 GJAAMO Cc1cc2c(cc1C)[C@H]([N@H+](CC(=O)Nc1cccnc1Cl)C1CC1)CCCO2 ZINC000072309431 570531858 /nfs/dbraw/zinc/53/18/58/570531858.db2.gz FDJKWOMVOLJJGY-LJQANCHMSA-N 1 1 399.922 4.669 50 0 GJAAMO Cc1cc2c(cc1C)[C@H]([N@@H+](CC(=O)Nc1cccnc1Cl)C1CC1)CCCO2 ZINC000072309431 570531859 /nfs/dbraw/zinc/53/18/59/570531859.db2.gz FDJKWOMVOLJJGY-LJQANCHMSA-N 1 1 399.922 4.669 50 0 GJAAMO Cc1cc2c(cc1C)[C@@H]([N@H+](CC(=O)Nc1cccnc1Cl)C1CC1)CCCO2 ZINC000072309430 570531921 /nfs/dbraw/zinc/53/19/21/570531921.db2.gz FDJKWOMVOLJJGY-IBGZPJMESA-N 1 1 399.922 4.669 50 0 GJAAMO Cc1cc2c(cc1C)[C@@H]([N@@H+](CC(=O)Nc1cccnc1Cl)C1CC1)CCCO2 ZINC000072309430 570531923 /nfs/dbraw/zinc/53/19/23/570531923.db2.gz FDJKWOMVOLJJGY-IBGZPJMESA-N 1 1 399.922 4.669 50 0 GJAAMO COc1ccc(N(C(=O)c2ccc(Cl)cc2)C2=C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000000848805 570533952 /nfs/dbraw/zinc/53/39/52/570533952.db2.gz WANGWYYURVCAGD-MOPGFXCFSA-N 1 1 382.891 4.746 50 0 GJAAMO COc1ccccc1C[N@@H+](CCC(C)C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096226 570537091 /nfs/dbraw/zinc/53/70/91/570537091.db2.gz VRGBSBYIYOOAHA-FQEVSTJZSA-N 1 1 391.939 4.637 50 0 GJAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102628 570539738 /nfs/dbraw/zinc/53/97/38/570539738.db2.gz TYCALYZMAOOIHO-QHCPKHFHSA-N 1 1 397.465 4.545 50 0 GJAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102628 570539740 /nfs/dbraw/zinc/53/97/40/570539740.db2.gz TYCALYZMAOOIHO-QHCPKHFHSA-N 1 1 397.465 4.545 50 0 GJAAMO COCc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)o1 ZINC000034633339 570542477 /nfs/dbraw/zinc/54/24/77/570542477.db2.gz GKBAYGQZTRAWTQ-MRXNPFEDSA-N 1 1 385.895 4.849 50 0 GJAAMO Cc1cccc(NC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907680 570564294 /nfs/dbraw/zinc/56/42/94/570564294.db2.gz BXORFMYRJPHIAS-NRFANRHFSA-N 1 1 391.540 4.978 50 0 GJAAMO Cc1cccc(NC(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907680 570564298 /nfs/dbraw/zinc/56/42/98/570564298.db2.gz BXORFMYRJPHIAS-NRFANRHFSA-N 1 1 391.540 4.978 50 0 GJAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000022907651 570564361 /nfs/dbraw/zinc/56/43/61/570564361.db2.gz XVSCGQXVIUFOAD-FQEVSTJZSA-N 1 1 377.513 4.669 50 0 GJAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000022907651 570564363 /nfs/dbraw/zinc/56/43/63/570564363.db2.gz XVSCGQXVIUFOAD-FQEVSTJZSA-N 1 1 377.513 4.669 50 0 GJAAMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000006785176 570591970 /nfs/dbraw/zinc/59/19/70/570591970.db2.gz QPWFOOYEIUXXOF-UHFFFAOYSA-N 1 1 394.902 4.956 50 0 GJAAMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000006785176 570591972 /nfs/dbraw/zinc/59/19/72/570591972.db2.gz QPWFOOYEIUXXOF-UHFFFAOYSA-N 1 1 394.902 4.956 50 0 GJAAMO O=C(C[NH+]1CCCCCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003341665 570605699 /nfs/dbraw/zinc/60/56/99/570605699.db2.gz LOLBUAITTXAZHR-UHFFFAOYSA-N 1 1 384.907 4.776 50 0 GJAAMO Cc1[nH]c2c(cccc2C)c1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2F)C1 ZINC000012192261 570622193 /nfs/dbraw/zinc/62/21/93/570622193.db2.gz MCUWRUALBFOZFG-XMMPIXPASA-N 1 1 380.507 4.741 50 0 GJAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)cc(OC)c1 ZINC000036347241 570629279 /nfs/dbraw/zinc/62/92/79/570629279.db2.gz DTHFBKJEHLFMNY-DEOSSOPVSA-N 1 1 376.500 4.809 50 0 GJAAMO COc1ccc(OC)c(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)c1 ZINC000036348245 570631005 /nfs/dbraw/zinc/63/10/05/570631005.db2.gz WPNDDFAIUOSYJT-QHCPKHFHSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)c1 ZINC000036348245 570631006 /nfs/dbraw/zinc/63/10/06/570631006.db2.gz WPNDDFAIUOSYJT-QHCPKHFHSA-N 1 1 380.463 4.640 50 0 GJAAMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 ZINC000072313897 570652806 /nfs/dbraw/zinc/65/28/06/570652806.db2.gz CWQDNDMWNDUSJQ-UHFFFAOYSA-N 1 1 399.947 4.671 50 0 GJAAMO Cc1oc(-c2ccc(F)cc2)nc1C[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC000012439439 570663545 /nfs/dbraw/zinc/66/35/45/570663545.db2.gz ARVXMRTXLDMDES-FQEVSTJZSA-N 1 1 386.492 4.796 50 0 GJAAMO CCc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000006877380 570668320 /nfs/dbraw/zinc/66/83/20/570668320.db2.gz VENZSOXKTDETQN-FQEVSTJZSA-N 1 1 377.532 4.551 50 0 GJAAMO COc1cccc([C@H](C)[N@H+](C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000012589054 570686028 /nfs/dbraw/zinc/68/60/28/570686028.db2.gz CNXOMKHQYYPQNL-AWEZNQCLSA-N 1 1 384.451 4.999 50 0 GJAAMO COc1cccc([C@H](C)[N@@H+](C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000012589054 570686032 /nfs/dbraw/zinc/68/60/32/570686032.db2.gz CNXOMKHQYYPQNL-AWEZNQCLSA-N 1 1 384.451 4.999 50 0 GJAAMO Cc1cccc(NC(=O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1C ZINC000058305769 570725545 /nfs/dbraw/zinc/72/55/45/570725545.db2.gz HOPHGARAKINPIM-UHFFFAOYSA-N 1 1 391.490 4.521 50 0 GJAAMO Cc1cccc(NC(=O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1C ZINC000058305769 570725548 /nfs/dbraw/zinc/72/55/48/570725548.db2.gz HOPHGARAKINPIM-UHFFFAOYSA-N 1 1 391.490 4.521 50 0 GJAAMO Cc1nc2sccn2c1-c1c(-c2ccccc2)ncn1CC[C@@H]1CCC[N@@H+]1C ZINC000065375672 570762562 /nfs/dbraw/zinc/76/25/62/570762562.db2.gz HAIBSWOAFVAONZ-SFHVURJKSA-N 1 1 391.544 4.719 50 0 GJAAMO CCCCc1nc(-c2c(-c3ccccc3)ncn2CC[C@@H]2CCC[N@H+]2C)c[nH]1 ZINC000065384317 570763378 /nfs/dbraw/zinc/76/33/78/570763378.db2.gz DLWSGPJMWKYEFH-IBGZPJMESA-N 1 1 377.536 4.767 50 0 GJAAMO COc1cccc(C[N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)c1OC ZINC000032751411 570791775 /nfs/dbraw/zinc/79/17/75/570791775.db2.gz ZBMWQWMCULEBKD-UHFFFAOYSA-N 1 1 387.483 4.651 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000032768873 570803463 /nfs/dbraw/zinc/80/34/63/570803463.db2.gz WOFJVSWVXNJSSG-AQKFKSFVSA-N 1 1 389.923 4.624 50 0 GJAAMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000007453493 570844986 /nfs/dbraw/zinc/84/49/86/570844986.db2.gz UKYXOPBWXOPHSC-KRWDZBQOSA-N 1 1 384.520 4.595 50 0 GJAAMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000007453493 570844989 /nfs/dbraw/zinc/84/49/89/570844989.db2.gz UKYXOPBWXOPHSC-KRWDZBQOSA-N 1 1 384.520 4.595 50 0 GJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000037190248 570847173 /nfs/dbraw/zinc/84/71/73/570847173.db2.gz YUOAFHGTTBLIGU-IIBYNOLFSA-N 1 1 377.488 4.610 50 0 GJAAMO COc1ccc([C@H]2CCCCC[N@H+]2[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000037190248 570847174 /nfs/dbraw/zinc/84/71/74/570847174.db2.gz YUOAFHGTTBLIGU-IIBYNOLFSA-N 1 1 377.488 4.610 50 0 GJAAMO C[N@H+](CC(=O)Nc1ccccc1N1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000012568417 570872470 /nfs/dbraw/zinc/87/24/70/570872470.db2.gz AYCMKTCLEORKGE-UHFFFAOYSA-N 1 1 399.538 4.947 50 0 GJAAMO C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000012568417 570872471 /nfs/dbraw/zinc/87/24/71/570872471.db2.gz AYCMKTCLEORKGE-UHFFFAOYSA-N 1 1 399.538 4.947 50 0 GJAAMO CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000012581234 570878313 /nfs/dbraw/zinc/87/83/13/570878313.db2.gz PKJBXOYICUYCCA-SFHVURJKSA-N 1 1 381.520 4.761 50 0 GJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000009909448 570887063 /nfs/dbraw/zinc/88/70/63/570887063.db2.gz PIQOXBTWMUFDDZ-QGZVFWFLSA-N 1 1 384.863 4.760 50 0 GJAAMO [NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000001269523 570951850 /nfs/dbraw/zinc/95/18/50/570951850.db2.gz MUUFPRSGUCTVLB-HNNXBMFYSA-N 1 1 380.300 4.911 50 0 GJAAMO CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000248380689 570967313 /nfs/dbraw/zinc/96/73/13/570967313.db2.gz QWVJZHKGDWWDDA-JLHGSKIFSA-N 1 1 384.495 4.627 50 0 GJAAMO CN1N=C2/C(=C/c3ccc(Cl)cc3)C[N@H+](C)C[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000252620585 571026730 /nfs/dbraw/zinc/02/67/30/571026730.db2.gz MHGDGQYNRJRIMN-VWTPCGADSA-N 1 1 386.326 4.981 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)no4)C3)C2)c1 ZINC000426486016 231227148 /nfs/dbraw/zinc/22/71/48/231227148.db2.gz SXOMMIYHCNSKSR-XMMPIXPASA-N 1 1 388.515 4.538 50 0 GJAAMO Cc1ccc2nc3sc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)cc3cc2c1 ZINC000015784584 210169715 /nfs/dbraw/zinc/16/97/15/210169715.db2.gz IEUOFGLTUVKAQI-INIZCTEOSA-N 1 1 381.545 4.752 50 0 GJAAMO COCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000014964309 210136329 /nfs/dbraw/zinc/13/63/29/210136329.db2.gz DVFRNSDRCFYOAD-OAHLLOKOSA-N 1 1 381.394 4.540 50 0 GJAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000014964309 210136332 /nfs/dbraw/zinc/13/63/32/210136332.db2.gz DVFRNSDRCFYOAD-OAHLLOKOSA-N 1 1 381.394 4.540 50 0 GJAAMO COCc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000014964313 210135664 /nfs/dbraw/zinc/13/56/64/210135664.db2.gz DVFRNSDRCFYOAD-HNNXBMFYSA-N 1 1 381.394 4.540 50 0 GJAAMO COCc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000014964313 210135669 /nfs/dbraw/zinc/13/56/69/210135669.db2.gz DVFRNSDRCFYOAD-HNNXBMFYSA-N 1 1 381.394 4.540 50 0 GJAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1 ZINC000013038808 210047665 /nfs/dbraw/zinc/04/76/65/210047665.db2.gz GPMMQXLVJSNZNA-UHFFFAOYSA-N 1 1 382.348 4.927 50 0 GJAAMO CCc1ccc([C@@H]([NH2+]Cc2cc(=O)n3cc(C)ccc3n2)c2cccs2)cc1 ZINC000012803243 210011977 /nfs/dbraw/zinc/01/19/77/210011977.db2.gz PGBHIRRYWRJUBC-HSZRJFAPSA-N 1 1 389.524 4.506 50 0 GJAAMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2Br)CC1 ZINC000002782620 209385435 /nfs/dbraw/zinc/38/54/35/209385435.db2.gz LARAUHCHGYXQSZ-UHFFFAOYSA-N 1 1 387.365 4.936 50 0 GJAAMO C[C@H](O)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000001447603 209329893 /nfs/dbraw/zinc/32/98/93/209329893.db2.gz IZPSLLVYTVDJFL-AWEZNQCLSA-N 1 1 378.863 4.534 50 0 GJAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2ccco2)cc1 ZINC000003665467 204018826 /nfs/dbraw/zinc/01/88/26/204018826.db2.gz RGKVWGWLMQCBNW-IBGZPJMESA-N 1 1 385.577 4.909 50 0 GJAAMO Cc1cc(C)cc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000006877310 204218201 /nfs/dbraw/zinc/21/82/01/204218201.db2.gz YHPKVBUELRUIRE-UHFFFAOYSA-N 1 1 377.532 4.606 50 0 GJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2Cl)CC1 ZINC000006241928 204172366 /nfs/dbraw/zinc/17/23/66/204172366.db2.gz STRHHANJMZOPQL-UHFFFAOYSA-N 1 1 393.918 4.887 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2c(OC)ccc4ccccc42)N3)C1 ZINC000006349162 204175052 /nfs/dbraw/zinc/17/50/52/204175052.db2.gz UDYFYICYQZRBLQ-FQEVSTJZSA-N 1 1 393.512 4.717 50 0 GJAAMO O=C(Nc1cccc(Cl)c1)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877378 204219327 /nfs/dbraw/zinc/21/93/27/204219327.db2.gz GRVWWWMGNVTZNH-QGZVFWFLSA-N 1 1 383.923 4.642 50 0 GJAAMO CC(=O)c1c(N2CC[NH+](C)CC2)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000035684081 204292740 /nfs/dbraw/zinc/29/27/40/204292740.db2.gz YXVSVPUIVRYSFD-UHFFFAOYSA-N 1 1 379.891 4.510 50 0 GJAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008249195 204268592 /nfs/dbraw/zinc/26/85/92/204268592.db2.gz WFWCYMXIJRHOSZ-GJZGRUSLSA-N 1 1 383.492 4.642 50 0 GJAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008249195 204268596 /nfs/dbraw/zinc/26/85/96/204268596.db2.gz WFWCYMXIJRHOSZ-GJZGRUSLSA-N 1 1 383.492 4.642 50 0 GJAAMO CC(C)c1ccc(N[C@H]2CCC[N@H+](C3CCN(Cc4ccco4)CC3)C2)cc1 ZINC000011821862 204355673 /nfs/dbraw/zinc/35/56/73/204355673.db2.gz IBKNCLHXLJMFNE-QFIPXVFZSA-N 1 1 381.564 4.944 50 0 GJAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)cc1OC ZINC000011873799 204358839 /nfs/dbraw/zinc/35/88/39/204358839.db2.gz RHBJNZVSWBGUGI-GOSISDBHSA-N 1 1 385.529 4.521 50 0 GJAAMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)cc1 ZINC000012307918 204392646 /nfs/dbraw/zinc/39/26/46/204392646.db2.gz WCFIEXLQFBUCFA-HXUWFJFHSA-N 1 1 391.559 4.725 50 0 GJAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl ZINC000036343709 205010766 /nfs/dbraw/zinc/01/07/66/205010766.db2.gz PYVXFPRHCNHSPN-NRFANRHFSA-N 1 1 381.907 4.504 50 0 GJAAMO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000044933501 205090725 /nfs/dbraw/zinc/09/07/25/205090725.db2.gz AIRPJRFXWKKXLU-MRXNPFEDSA-N 1 1 388.914 4.877 50 0 GJAAMO Cc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@H](C(=O)c3ccccc3)C[N@@H+]2C)cc1 ZINC000052530357 205133748 /nfs/dbraw/zinc/13/37/48/205133748.db2.gz AOCPPFBBSZTNPG-WXFUMESZSA-N 1 1 383.491 4.980 50 0 GJAAMO CC[C@H](C)[N@@H+](Cc1c(C)n(C)n(-c2ccccc2)c1=O)Cc1ccc(C)cc1 ZINC000055108880 205143816 /nfs/dbraw/zinc/14/38/16/205143816.db2.gz YBTRLDLFFTWJMV-IBGZPJMESA-N 1 1 377.532 4.594 50 0 GJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)Cn2c(-c3cccs3)cc3ccccc32)C1 ZINC000064657434 205192974 /nfs/dbraw/zinc/19/29/74/205192974.db2.gz IFWQPBVEKBNNPO-SFHVURJKSA-N 1 1 395.572 4.608 50 0 GJAAMO Fc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4nc5ccccc5o4)C3)C2)c1F ZINC000072164640 205314741 /nfs/dbraw/zinc/31/47/41/205314741.db2.gz AGVKIXKFLYWSRF-JOCHJYFZSA-N 1 1 383.442 4.599 50 0 GJAAMO Fc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4nc5ccccc5o4)C3)C2)c1F ZINC000072164640 205314746 /nfs/dbraw/zinc/31/47/46/205314746.db2.gz AGVKIXKFLYWSRF-JOCHJYFZSA-N 1 1 383.442 4.599 50 0 GJAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000032912071 206097233 /nfs/dbraw/zinc/09/72/33/206097233.db2.gz LDMOHAGCNFOEHS-MRXNPFEDSA-N 1 1 384.932 4.949 50 0 GJAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000032912071 206097237 /nfs/dbraw/zinc/09/72/37/206097237.db2.gz LDMOHAGCNFOEHS-MRXNPFEDSA-N 1 1 384.932 4.949 50 0 GJAAMO CCOc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](C)([NH+]2CCCC2)[C@H]1C)OCO3 ZINC000229876656 206108959 /nfs/dbraw/zinc/10/89/59/206108959.db2.gz LPWYMVXRDVBDOS-NAKSJZFLSA-N 1 1 395.499 4.786 50 0 GJAAMO C[C@H]1CCCC[N@H+]1CCNc1ncccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000096339044 211336952 /nfs/dbraw/zinc/33/69/52/211336952.db2.gz YJKJCKSIRJSPRJ-HNNXBMFYSA-N 1 1 397.910 4.738 50 0 GJAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+]1CCC[C@H]1CO ZINC000072431129 211118520 /nfs/dbraw/zinc/11/85/20/211118520.db2.gz OJDQQBDFKKHHKF-SFHVURJKSA-N 1 1 382.891 4.521 50 0 GJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000071748073 211053948 /nfs/dbraw/zinc/05/39/48/211053948.db2.gz YRAXWKVFTDGSSP-GOSISDBHSA-N 1 1 378.472 4.647 50 0 GJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)[nH+]1 ZINC000021795435 210392829 /nfs/dbraw/zinc/39/28/29/210392829.db2.gz QAAQNQBPCNBANU-UHFFFAOYSA-N 1 1 390.491 4.855 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)cc(N(C)C)[nH+]1 ZINC000021795435 210392832 /nfs/dbraw/zinc/39/28/32/210392832.db2.gz QAAQNQBPCNBANU-UHFFFAOYSA-N 1 1 390.491 4.855 50 0 GJAAMO CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c2ccccc21 ZINC000021719823 210391096 /nfs/dbraw/zinc/39/10/96/210391096.db2.gz COSXFYCJZXEVTF-OAQYLSRUSA-N 1 1 395.503 4.653 50 0 GJAAMO CCOC(=O)Cn1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c2ccccc21 ZINC000021719823 210391099 /nfs/dbraw/zinc/39/10/99/210391099.db2.gz COSXFYCJZXEVTF-OAQYLSRUSA-N 1 1 395.503 4.653 50 0 GJAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000020514426 210342796 /nfs/dbraw/zinc/34/27/96/210342796.db2.gz JLJJWPVFKRCCSM-OAQYLSRUSA-N 1 1 395.513 4.625 50 0 GJAAMO CCCCCCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019938378 210308242 /nfs/dbraw/zinc/30/82/42/210308242.db2.gz OOBXVNCWNUBXOH-UHFFFAOYSA-N 1 1 380.532 4.604 50 0 GJAAMO Cc1ccc(C(=O)Nc2ncc(C[N@H+]3CC[C@@H](c4ccccc4)C3)s2)cc1 ZINC000019873246 210304201 /nfs/dbraw/zinc/30/42/01/210304201.db2.gz LNFNXXMHRXNNTG-LJQANCHMSA-N 1 1 377.513 4.693 50 0 GJAAMO O=C(Nc1nc(C[NH+]2CCCCC2)nc2ccccc21)c1cc2ccccc2o1 ZINC000011164985 221112457 /nfs/dbraw/zinc/11/24/57/221112457.db2.gz PRYDBCPWPKIZTK-UHFFFAOYSA-N 1 1 386.455 4.614 50 0 GJAAMO Cc1ccccc1C[C@]1(CO)CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000012075165 221148620 /nfs/dbraw/zinc/14/86/20/221148620.db2.gz BJCHDZSDZJKGBL-OAQYLSRUSA-N 1 1 377.450 4.831 50 0 GJAAMO O=C(c1ccco1)N1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000001164730 570252367 /nfs/dbraw/zinc/25/23/67/570252367.db2.gz OMYOYPQTLBDUGH-UHFFFAOYSA-N 1 1 388.511 4.629 50 0 GJAAMO Clc1cccc(Cl)c1OCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020500083 570264345 /nfs/dbraw/zinc/26/43/45/570264345.db2.gz VZVNHFFYDOZNPI-UHFFFAOYSA-N 1 1 379.331 4.580 50 0 GJAAMO O=C(OCc1ccccc1)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000022050599 570303239 /nfs/dbraw/zinc/30/32/39/570303239.db2.gz LWZWKAWTHAMCLH-HSZRJFAPSA-N 1 1 377.459 4.770 50 0 in-vitro GJAAMO Cc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)[C@@H](C(=O)c3ccccc3)C[N@@H+]2C)cc1 ZINC000106345958 570306595 /nfs/dbraw/zinc/30/65/95/570306595.db2.gz AOCPPFBBSZTNPG-HJOGWXRNSA-N 1 1 383.491 4.980 50 0 GJAAMO O=C(NCc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000022238505 570309840 /nfs/dbraw/zinc/30/98/40/570309840.db2.gz MZQWLMHQAQWWOP-UHFFFAOYSA-N 1 1 390.914 4.828 50 0 GJAAMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000022914261 570334522 /nfs/dbraw/zinc/33/45/22/570334522.db2.gz PFBROMPXQUZCCM-KBDUWVRBSA-N 1 1 393.550 4.516 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)cc1 ZINC000012704652 570362851 /nfs/dbraw/zinc/36/28/51/570362851.db2.gz GRFSCBVCSTWTKJ-LJQANCHMSA-N 1 1 390.483 4.806 50 0 GJAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@@H](O)c1ccccc1 ZINC000024591256 570386669 /nfs/dbraw/zinc/38/66/69/570386669.db2.gz IPHTUKOHIDOKNZ-XMMPIXPASA-N 1 1 383.495 4.705 50 0 GJAAMO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000025665014 570417726 /nfs/dbraw/zinc/41/77/26/570417726.db2.gz JJSSECSJEFTAER-MHECFPHRSA-N 1 1 398.462 4.522 50 0 GJAAMO CCSCCC(=O)OC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000239760986 570430721 /nfs/dbraw/zinc/43/07/21/570430721.db2.gz CJAWABOAXZHFMF-YJBOKZPZSA-N 1 1 389.483 4.775 50 0 GJAAMO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027747669 570441797 /nfs/dbraw/zinc/44/17/97/570441797.db2.gz KPRKIFZSEYRPMF-IBGZPJMESA-N 1 1 382.891 4.962 50 0 GJAAMO FC(F)(F)c1cccc(-c2noc(CCC[N@H+]3CCc4sccc4C3)n2)c1 ZINC000029455757 570474313 /nfs/dbraw/zinc/47/43/13/570474313.db2.gz ZRIXONJFCXLHLB-UHFFFAOYSA-N 1 1 393.434 4.808 50 0 GJAAMO O=C(C[C@H]1C=CCC1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181351 570486550 /nfs/dbraw/zinc/48/65/50/570486550.db2.gz KWFHNHINWLVEIN-KRWDZBQOSA-N 1 1 384.520 4.555 50 0 GJAAMO c1csc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c1 ZINC000002707206 570506148 /nfs/dbraw/zinc/50/61/48/570506148.db2.gz HCIYGSKPFCTAAW-LEWJYISDSA-N 1 1 384.464 4.552 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036101952 570539155 /nfs/dbraw/zinc/53/91/55/570539155.db2.gz GXKRCBZUHIIWDD-RUZDIDTESA-N 1 1 393.502 4.714 50 0 GJAAMO Cc1ccccc1[C@@H](CC(=O)NCc1ccccc1)c1c[nH+]c2n1[C@H](C)CCC2 ZINC000034920139 570547747 /nfs/dbraw/zinc/54/77/47/570547747.db2.gz JUTOGSUCPDTFSX-DENIHFKCSA-N 1 1 387.527 4.927 50 0 GJAAMO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(OC)ccc2OC)c1 ZINC000036348341 570629768 /nfs/dbraw/zinc/62/97/68/570629768.db2.gz IGPPMVCZBKXJRU-XMMPIXPASA-N 1 1 392.499 4.509 50 0 GJAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(OC)ccc2OC)c1 ZINC000036348341 570629770 /nfs/dbraw/zinc/62/97/70/570629770.db2.gz IGPPMVCZBKXJRU-XMMPIXPASA-N 1 1 392.499 4.509 50 0 GJAAMO COc1ccc(OC)c([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)c1 ZINC000036347979 570630230 /nfs/dbraw/zinc/63/02/30/570630230.db2.gz UJSVNQHABNBMEW-DEOSSOPVSA-N 1 1 376.500 4.809 50 0 GJAAMO Cc1cc(C)c(NC(=S)NC[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)c1 ZINC000013524034 570639516 /nfs/dbraw/zinc/63/95/16/570639516.db2.gz AQNQKVLAOFOLOO-UXHICEINSA-N 1 1 381.589 4.981 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)c(C)o2)cc1 ZINC000012430611 570659188 /nfs/dbraw/zinc/65/91/88/570659188.db2.gz RJKVNQCZXKCVMB-JOCHJYFZSA-N 1 1 390.483 4.946 50 0 GJAAMO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)ccc1OC ZINC000012464413 570671039 /nfs/dbraw/zinc/67/10/39/570671039.db2.gz SMBYUKVONDNFIQ-GOSISDBHSA-N 1 1 399.556 4.911 50 0 GJAAMO CCOc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)ccc1OC ZINC000012464413 570671042 /nfs/dbraw/zinc/67/10/42/570671042.db2.gz SMBYUKVONDNFIQ-GOSISDBHSA-N 1 1 399.556 4.911 50 0 GJAAMO Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000036391358 570673423 /nfs/dbraw/zinc/67/34/23/570673423.db2.gz WQFBGQPPLXXBPX-UHFFFAOYSA-N 1 1 393.556 4.889 50 0 GJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@H](CO)C2)c(C)s1 ZINC000012578279 570682980 /nfs/dbraw/zinc/68/29/80/570682980.db2.gz PDSHNUNLUUHOES-KRWDZBQOSA-N 1 1 399.535 4.561 50 0 GJAAMO COC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012585860 570684938 /nfs/dbraw/zinc/68/49/38/570684938.db2.gz JZZMMVOGYIZJKR-LJQANCHMSA-N 1 1 381.564 4.993 50 0 GJAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)o1 ZINC000012591778 570687735 /nfs/dbraw/zinc/68/77/35/570687735.db2.gz AJFHDAVUQBQYOD-LJQANCHMSA-N 1 1 389.495 4.773 50 0 GJAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(C)cc3)c2)C1 ZINC000055368542 570692715 /nfs/dbraw/zinc/69/27/15/570692715.db2.gz YGLIJFMTKOZJDB-LJQANCHMSA-N 1 1 379.529 4.646 50 0 GJAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(C)cc3)c2)C1 ZINC000055368542 570692718 /nfs/dbraw/zinc/69/27/18/570692718.db2.gz YGLIJFMTKOZJDB-LJQANCHMSA-N 1 1 379.529 4.646 50 0 GJAAMO COCc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)o1 ZINC000012703935 570699419 /nfs/dbraw/zinc/69/94/19/570699419.db2.gz RBPVMQCCLIBKBK-FQEVSTJZSA-N 1 1 393.483 4.683 50 0 GJAAMO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000012806476 570719140 /nfs/dbraw/zinc/71/91/40/570719140.db2.gz SXCWIOADTLRJKG-KRWDZBQOSA-N 1 1 378.299 4.522 50 0 GJAAMO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000058433265 570733510 /nfs/dbraw/zinc/73/35/10/570733510.db2.gz OPWBTUJKJJAGBI-KRWDZBQOSA-N 1 1 389.377 4.798 50 0 GJAAMO Oc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000058433265 570733512 /nfs/dbraw/zinc/73/35/12/570733512.db2.gz OPWBTUJKJJAGBI-KRWDZBQOSA-N 1 1 389.377 4.798 50 0 GJAAMO Cn1c(=S)n(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccc(Cl)cc1 ZINC000013071820 570745083 /nfs/dbraw/zinc/74/50/83/570745083.db2.gz MAARNTFVOZJWMX-YOEHRIQHSA-N 1 1 376.957 4.884 50 0 GJAAMO Cn1c(=S)n(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccc(Cl)cc1 ZINC000013071820 570745085 /nfs/dbraw/zinc/74/50/85/570745085.db2.gz MAARNTFVOZJWMX-YOEHRIQHSA-N 1 1 376.957 4.884 50 0 GJAAMO Cc1[nH+]ccn1CCn1cnc(-c2ccccc2)c1-c1cccc2cccnc21 ZINC000065465755 570770195 /nfs/dbraw/zinc/77/01/95/570770195.db2.gz QUAOCWFJYFWNKN-UHFFFAOYSA-N 1 1 379.467 4.970 50 0 GJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2F)c1 ZINC000013778259 570789953 /nfs/dbraw/zinc/78/99/53/570789953.db2.gz NSRJWEIWAMQCKX-TUACAJSNSA-N 1 1 399.506 4.711 50 0 GJAAMO CC[NH+]1CCN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 ZINC000005689003 570810291 /nfs/dbraw/zinc/81/02/91/570810291.db2.gz ILXQNGFNXQWBMR-UHFFFAOYSA-N 1 1 391.487 4.523 50 0 GJAAMO Cc1cc(NC(=O)[C@H](Nc2ccc([NH+]3CCCC3)c(C)c2)c2ccccc2)no1 ZINC000012507168 570822759 /nfs/dbraw/zinc/82/27/59/570822759.db2.gz GGXSIJRIMJQCHZ-JOCHJYFZSA-N 1 1 390.487 4.684 50 0 GJAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000007362735 570833852 /nfs/dbraw/zinc/83/38/52/570833852.db2.gz XSZXRXLCCPBSGC-IBGZPJMESA-N 1 1 394.544 4.635 50 0 GJAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000007362735 570833855 /nfs/dbraw/zinc/83/38/55/570833855.db2.gz XSZXRXLCCPBSGC-IBGZPJMESA-N 1 1 394.544 4.635 50 0 GJAAMO Brc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccs3)o2)c1 ZINC000065608524 570839847 /nfs/dbraw/zinc/83/98/47/570839847.db2.gz XPBZWVFKIDHPDQ-AWEZNQCLSA-N 1 1 390.306 4.898 50 0 GJAAMO Brc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccs3)o2)c1 ZINC000065608524 570839849 /nfs/dbraw/zinc/83/98/49/570839849.db2.gz XPBZWVFKIDHPDQ-AWEZNQCLSA-N 1 1 390.306 4.898 50 0 GJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003359318 570861210 /nfs/dbraw/zinc/86/12/10/570861210.db2.gz AUTUDPBMJAOGQU-HKUYNNGSSA-N 1 1 389.421 4.854 50 0 GJAAMO O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000014961525 570866655 /nfs/dbraw/zinc/86/66/55/570866655.db2.gz LADTWMZCPNUIHS-NRFANRHFSA-N 1 1 389.499 4.660 50 0 GJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2c(F)cccc2Cl)N3)C1 ZINC000004555321 570882069 /nfs/dbraw/zinc/88/20/69/570882069.db2.gz ZWIVAIMMGCZQPT-INIZCTEOSA-N 1 1 379.888 4.736 50 0 GJAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000015669137 570901515 /nfs/dbraw/zinc/90/15/15/570901515.db2.gz NDWXSZDHONVXDP-UHFFFAOYSA-N 1 1 387.487 4.560 50 0 GJAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000023153874 570919709 /nfs/dbraw/zinc/91/97/09/570919709.db2.gz MIXPWBDMUUWKJR-UHFFFAOYSA-N 1 1 395.509 4.858 50 0 GJAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000023153874 570919713 /nfs/dbraw/zinc/91/97/13/570919713.db2.gz MIXPWBDMUUWKJR-UHFFFAOYSA-N 1 1 395.509 4.858 50 0 GJAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000001270189 570951837 /nfs/dbraw/zinc/95/18/37/570951837.db2.gz ZVOXSCAWCUJBEC-INIZCTEOSA-N 1 1 384.892 4.739 50 0 GJAAMO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)n(-c2ccccc2)n1 ZINC000012694267 570962791 /nfs/dbraw/zinc/96/27/91/570962791.db2.gz YFLXIDPCNZJUOK-RBUKOAKNSA-N 1 1 394.563 4.620 50 0 GJAAMO Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000019228194 210233077 /nfs/dbraw/zinc/23/30/77/210233077.db2.gz KHOPXJAHYACDRP-LJQANCHMSA-N 1 1 381.545 4.808 50 0 GJAAMO Cc1ccc(C[NH+]2CCN(C(=S)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000017080392 210204772 /nfs/dbraw/zinc/20/47/72/210204772.db2.gz HVNLOSCAHJMRQP-UHFFFAOYSA-N 1 1 393.478 4.528 50 0 GJAAMO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccs1)OCCO2 ZINC000015301532 210157295 /nfs/dbraw/zinc/15/72/95/210157295.db2.gz PFOPHXOGARGGLR-CQSZACIVSA-N 1 1 380.307 4.619 50 0 GJAAMO Brc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccs1)OCCO2 ZINC000015301532 210157299 /nfs/dbraw/zinc/15/72/99/210157299.db2.gz PFOPHXOGARGGLR-CQSZACIVSA-N 1 1 380.307 4.619 50 0 GJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C2CCOCC2)c(C)s1 ZINC000015076233 210149449 /nfs/dbraw/zinc/14/94/49/210149449.db2.gz LXLKZBZQRSPBFZ-UHFFFAOYSA-N 1 1 399.535 4.968 50 0 GJAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1 ZINC000014986008 210141121 /nfs/dbraw/zinc/14/11/21/210141121.db2.gz NWZSXSZTXQKWJY-GOSISDBHSA-N 1 1 379.479 4.912 50 0 GJAAMO Cc1cc2nc(N3CCC[N@@H+](Cc4c[nH]c5ccccc45)CC3)nc(C)c2cc1C ZINC000014978095 210137504 /nfs/dbraw/zinc/13/75/04/210137504.db2.gz BRXAAOVPDRCTFG-UHFFFAOYSA-N 1 1 399.542 4.749 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1)NC1CC1 ZINC000014966604 210137039 /nfs/dbraw/zinc/13/70/39/210137039.db2.gz KVAYZWYYKXQVQH-HXUWFJFHSA-N 1 1 376.544 4.589 50 0 GJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(F)cc1Cl ZINC000012994950 210042000 /nfs/dbraw/zinc/04/20/00/210042000.db2.gz JVTIQXHTVRMISL-LJQANCHMSA-N 1 1 392.858 4.997 50 0 GJAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)cc1OC ZINC000011873800 209890843 /nfs/dbraw/zinc/89/08/43/209890843.db2.gz RHBJNZVSWBGUGI-SFHVURJKSA-N 1 1 385.529 4.521 50 0 GJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)c(OC)c1 ZINC000005162441 204116964 /nfs/dbraw/zinc/11/69/64/204116964.db2.gz MVSZIESXWTZSRG-HUVFLSCGSA-N 1 1 399.506 4.711 50 0 GJAAMO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000006840787 204215301 /nfs/dbraw/zinc/21/53/01/204215301.db2.gz GJLVOEHTUGBGIV-HNNXBMFYSA-N 1 1 395.528 4.512 50 0 GJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1sc2cc(F)ccc2c1Cl ZINC000007990818 204258542 /nfs/dbraw/zinc/25/85/42/204258542.db2.gz MXKFAZJPCKELEC-CQSZACIVSA-N 1 1 392.883 4.854 50 0 GJAAMO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000009051105 204297063 /nfs/dbraw/zinc/29/70/63/204297063.db2.gz WMVHFLAFNXLILG-GOSISDBHSA-N 1 1 395.528 4.669 50 0 GJAAMO CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(OC)c(F)c1 ZINC000008214221 204265360 /nfs/dbraw/zinc/26/53/60/204265360.db2.gz GITBFJAFMYWVHT-UHFFFAOYSA-N 1 1 392.474 4.962 50 0 GJAAMO CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(OC)c(F)c1 ZINC000008214221 204265365 /nfs/dbraw/zinc/26/53/65/204265365.db2.gz GITBFJAFMYWVHT-UHFFFAOYSA-N 1 1 392.474 4.962 50 0 GJAAMO Fc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000011878260 204358963 /nfs/dbraw/zinc/35/89/63/204358963.db2.gz CZEAHMRCTYLJJX-QFIPXVFZSA-N 1 1 392.534 4.600 50 0 GJAAMO COCc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)o1 ZINC000012079054 204369905 /nfs/dbraw/zinc/36/99/05/204369905.db2.gz GKBAYGQZTRAWTQ-INIZCTEOSA-N 1 1 385.895 4.849 50 0 GJAAMO CSc1cccc(NC(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000012196303 204381712 /nfs/dbraw/zinc/38/17/12/204381712.db2.gz LWJVZWZTLOCMMR-HXUWFJFHSA-N 1 1 383.561 4.579 50 0 GJAAMO O=C(/C=C\c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033340644 204961738 /nfs/dbraw/zinc/96/17/38/204961738.db2.gz NAHRDNCUKYEBBI-YPKPFQOOSA-N 1 1 388.536 4.695 50 0 GJAAMO O[C@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103056 205005258 /nfs/dbraw/zinc/00/52/58/205005258.db2.gz RQGTYLYOFILBTG-NRFANRHFSA-N 1 1 399.893 4.921 50 0 GJAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103056 205005262 /nfs/dbraw/zinc/00/52/62/205005262.db2.gz RQGTYLYOFILBTG-NRFANRHFSA-N 1 1 399.893 4.921 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2C)s1 ZINC000036101547 205005786 /nfs/dbraw/zinc/00/57/86/205005786.db2.gz PUBKUWWJHYEHPP-OAQYLSRUSA-N 1 1 399.531 4.946 50 0 GJAAMO COc1cccc(C[N@@H+](CCC(C)C)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036100369 205006097 /nfs/dbraw/zinc/00/60/97/205006097.db2.gz DUMOVSSISIZLRB-HXUWFJFHSA-N 1 1 391.939 4.637 50 0 GJAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000036341460 205011396 /nfs/dbraw/zinc/01/13/96/205011396.db2.gz GYKGPCAYNWCNHA-AOMKIAJQSA-N 1 1 397.469 4.517 50 0 GJAAMO Cc1cccc(Oc2c(C[N@H+](C[C@@H](C)O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036306403 205011613 /nfs/dbraw/zinc/01/16/13/205011613.db2.gz GCRYMJAQWLDHBU-LJQANCHMSA-N 1 1 393.531 4.779 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036345428 205012883 /nfs/dbraw/zinc/01/28/83/205012883.db2.gz JYORRLRIFRHUIA-HSZRJFAPSA-N 1 1 393.506 4.544 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000036345560 205013524 /nfs/dbraw/zinc/01/35/24/205013524.db2.gz LVPCXLLRWAAFRS-GBXCKJPGSA-N 1 1 389.543 4.856 50 0 GJAAMO Oc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cc1Cl ZINC000055060980 205141351 /nfs/dbraw/zinc/14/13/51/205141351.db2.gz GJLAZQAEEUJCCI-JOCHJYFZSA-N 1 1 388.914 4.673 50 0 GJAAMO Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)cc1Cl ZINC000055060980 205141356 /nfs/dbraw/zinc/14/13/56/205141356.db2.gz GJLAZQAEEUJCCI-JOCHJYFZSA-N 1 1 388.914 4.673 50 0 GJAAMO Oc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)cc1Cl ZINC000055060980 205141359 /nfs/dbraw/zinc/14/13/59/205141359.db2.gz GJLAZQAEEUJCCI-JOCHJYFZSA-N 1 1 388.914 4.673 50 0 GJAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)CC1 ZINC000055057213 205142260 /nfs/dbraw/zinc/14/22/60/205142260.db2.gz DXTKHHUJLGSMIX-UHFFFAOYSA-N 1 1 393.918 4.641 50 0 GJAAMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058356863 205173979 /nfs/dbraw/zinc/17/39/79/205173979.db2.gz CFYURJGRNNQFBF-ICSRJNTNSA-N 1 1 391.273 4.771 50 0 GJAAMO CN1C[C@@]2(CCC[N@@H+](Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)OC1=O ZINC000072463157 205352062 /nfs/dbraw/zinc/35/20/62/205352062.db2.gz KKWKQAFOVVQEPF-OAQYLSRUSA-N 1 1 386.879 4.549 50 0 GJAAMO COc1cc(-c2nc(C[N@H+](C)Cc3cccc4ncccc34)c(C)o2)ccc1F ZINC000015077652 205357326 /nfs/dbraw/zinc/35/73/26/205357326.db2.gz XTBFGXSJVZUIQC-UHFFFAOYSA-N 1 1 391.446 4.978 50 0 GJAAMO COc1cc(-c2nc(C[N@@H+](C)Cc3cccc4ncccc34)c(C)o2)ccc1F ZINC000015077652 205357330 /nfs/dbraw/zinc/35/73/30/205357330.db2.gz XTBFGXSJVZUIQC-UHFFFAOYSA-N 1 1 391.446 4.978 50 0 GJAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc3cc(Cl)ccc3n2)C1)c1cccs1 ZINC000076837364 205358074 /nfs/dbraw/zinc/35/80/74/205358074.db2.gz UVQLGNKEHWNWTR-OAHLLOKOSA-N 1 1 399.947 4.592 50 0 GJAAMO C[N@H+](Cc1cc(Cl)nc(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095954912 205508749 /nfs/dbraw/zinc/50/87/49/205508749.db2.gz KTTXLQBMHDBRTG-BBRMVZONSA-N 1 1 392.113 4.785 50 0 GJAAMO C[N@@H+](Cc1cc(Cl)nc(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095954912 205508755 /nfs/dbraw/zinc/50/87/55/205508755.db2.gz KTTXLQBMHDBRTG-BBRMVZONSA-N 1 1 392.113 4.785 50 0 GJAAMO Cc1c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sc2nccc(C)c12 ZINC000252550592 206144270 /nfs/dbraw/zinc/14/42/70/206144270.db2.gz SUKIEIYPQZBGKZ-PKOBYXMFSA-N 1 1 393.556 4.554 50 0 GJAAMO Brc1ccc(C2([NH2+]Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000089783038 211183594 /nfs/dbraw/zinc/18/35/94/211183594.db2.gz VUSQMVBNKYWSDM-OAHLLOKOSA-N 1 1 379.323 4.536 50 0 GJAAMO CN1C[C@]2(CCC[N@@H+](Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)OC1=O ZINC000072463158 211122054 /nfs/dbraw/zinc/12/20/54/211122054.db2.gz KKWKQAFOVVQEPF-NRFANRHFSA-N 1 1 386.879 4.549 50 0 GJAAMO Cc1ccc(-n2cc(C[N@@H+]3CCOC(C)(C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000072453799 211119687 /nfs/dbraw/zinc/11/96/87/211119687.db2.gz SVNPIWOPNXYPPQ-UHFFFAOYSA-N 1 1 379.479 4.598 50 0 GJAAMO Cc1ccc(-n2cc(C[N@H+]3CCOC(C)(C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000072453799 211119691 /nfs/dbraw/zinc/11/96/91/211119691.db2.gz SVNPIWOPNXYPPQ-UHFFFAOYSA-N 1 1 379.479 4.598 50 0 GJAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000072433515 211118791 /nfs/dbraw/zinc/11/87/91/211118791.db2.gz VXFVSYZOKZXGSB-MRXNPFEDSA-N 1 1 396.918 4.768 50 0 GJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000023308176 210437878 /nfs/dbraw/zinc/43/78/78/210437878.db2.gz SXIIOTHVZZZNSK-RUZDIDTESA-N 1 1 384.523 4.851 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)cc1COCC(F)(F)F ZINC000021719853 210391510 /nfs/dbraw/zinc/39/15/10/210391510.db2.gz WFKGYICBLHYHKJ-QGZVFWFLSA-N 1 1 398.425 4.716 50 0 GJAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCCC3)c(C)c2c1 ZINC000021659777 210387514 /nfs/dbraw/zinc/38/75/14/210387514.db2.gz MLNNWEUENWOETH-IBGZPJMESA-N 1 1 380.488 4.772 50 0 GJAAMO CC[C@@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868657 210364498 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4.782 50 0 GJAAMO CC(C)c1ccc(N[C@@H]2CCC[N@H+](C3CCN(Cc4ccco4)CC3)C2)cc1 ZINC000011821861 221129573 /nfs/dbraw/zinc/12/95/73/221129573.db2.gz IBKNCLHXLJMFNE-JOCHJYFZSA-N 1 1 381.564 4.944 50 0 GJAAMO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)c(C)o2)c1 ZINC000011668039 221120644 /nfs/dbraw/zinc/12/06/44/221120644.db2.gz DYVASEYIKAVCSK-OAQYLSRUSA-N 1 1 393.487 4.789 50 0 GJAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCCC[C@@H]3c3ccccn3)c(C)o2)c1 ZINC000011668039 221120647 /nfs/dbraw/zinc/12/06/47/221120647.db2.gz DYVASEYIKAVCSK-OAQYLSRUSA-N 1 1 393.487 4.789 50 0 GJAAMO CN(C(=O)c1cccc2ccccc21)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011933859 221138123 /nfs/dbraw/zinc/13/81/23/221138123.db2.gz JTCKNBQBLZQMFG-JOCHJYFZSA-N 1 1 384.523 4.544 50 0 GJAAMO Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1 ZINC000095450133 136179118 /nfs/dbraw/zinc/17/91/18/136179118.db2.gz PYYKBQWHDVSDQF-CQSZACIVSA-N 1 1 379.335 4.933 50 0 GJAAMO Cc1cc(C)c2c(C[NH+]3CCN(c4cc(Cl)ccc4C)CC3)cc(=O)oc2c1 ZINC000012462367 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Cn1cccc1[C@H]1CCC[N@H+]1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012568003 570871547 /nfs/dbraw/zinc/87/15/47/570871547.db2.gz SHTVCSQULVJSJJ-FGZHOGPDSA-N 1 1 377.463 4.681 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000015064600 570875324 /nfs/dbraw/zinc/87/53/24/570875324.db2.gz UDVGWLMZGGPZFN-MRXNPFEDSA-N 1 1 391.437 4.731 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c1 ZINC000015065118 570875831 /nfs/dbraw/zinc/87/58/31/570875831.db2.gz QPAQODAQVGFXSC-FQEVSTJZSA-N 1 1 396.962 4.708 50 0 GJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)cc1Cl ZINC000015073875 570877734 /nfs/dbraw/zinc/87/77/34/570877734.db2.gz KBSJXBOIGPFBLY-HNNXBMFYSA-N 1 1 376.884 4.573 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000004556336 570882830 /nfs/dbraw/zinc/88/28/30/570882830.db2.gz TUYUUMSGLSTZHF-OAHLLOKOSA-N 1 1 382.316 4.862 50 0 GJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)[nH+]1 ZINC000033326687 570980847 /nfs/dbraw/zinc/98/08/47/570980847.db2.gz IRCKMADLLYMHMQ-UHFFFAOYSA-N 1 1 398.417 4.517 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)cc(N(C)C)[nH+]1 ZINC000033326687 570980852 /nfs/dbraw/zinc/98/08/52/570980852.db2.gz IRCKMADLLYMHMQ-UHFFFAOYSA-N 1 1 398.417 4.517 50 0 GJAAMO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339407 570987718 /nfs/dbraw/zinc/98/77/18/570987718.db2.gz XCECVQGRQPERES-UXHICEINSA-N 1 1 389.282 4.739 50 0 GJAAMO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339407 570987719 /nfs/dbraw/zinc/98/77/19/570987719.db2.gz XCECVQGRQPERES-UXHICEINSA-N 1 1 389.282 4.739 50 0 GJAAMO Cc1cc(C(=O)C[NH+]2CCC(c3ccccc3)CC2)c(C)n1CC(F)(F)F ZINC000084079582 570996187 /nfs/dbraw/zinc/99/61/87/570996187.db2.gz WJPIOOOZUHIPOR-UHFFFAOYSA-N 1 1 378.438 4.730 50 0 GJAAMO CN1N=C2/C(=C\c3ccc(Cl)cc3)C[N@H+](C)C[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000252620584 571026758 /nfs/dbraw/zinc/02/67/58/571026758.db2.gz MHGDGQYNRJRIMN-LWZJZKOWSA-N 1 1 386.326 4.981 50 0 GJAAMO Cc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)[NH+]2CCCCC2)o1 ZINC000015860418 210174752 /nfs/dbraw/zinc/17/47/52/210174752.db2.gz YVPSOAQWARIAHC-SFHVURJKSA-N 1 1 384.451 4.739 50 0 GJAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccc(F)cc1F)C1CCCCC1 ZINC000015345954 210156772 /nfs/dbraw/zinc/15/67/72/210156772.db2.gz UKIJOBKELCEMSJ-UHFFFAOYSA-N 1 1 387.474 4.780 50 0 GJAAMO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000015065964 210148020 /nfs/dbraw/zinc/14/80/20/210148020.db2.gz PNGCEGWYTWVFPB-GOSISDBHSA-N 1 1 390.980 4.737 50 0 GJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2)cc1 ZINC000014976490 210138722 /nfs/dbraw/zinc/13/87/22/210138722.db2.gz LGMDLPICCSQDAC-HSZRJFAPSA-N 1 1 382.573 5.000 50 0 GJAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21)C1CCCCC1 ZINC000012552903 209974376 /nfs/dbraw/zinc/97/43/76/209974376.db2.gz FSIWMJQTIAEWJL-FQEVSTJZSA-N 1 1 391.515 4.516 50 0 GJAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000002256079 209352804 /nfs/dbraw/zinc/35/28/04/209352804.db2.gz SGSMWVCYVASRLN-ZEQRLZLVSA-N 1 1 392.462 4.799 50 0 GJAAMO C[N@H+]1[C@H](CC(=O)Nc2ccc(Br)cc2)c2ccccc2CC1(C)C ZINC000000813346 209268254 /nfs/dbraw/zinc/26/82/54/209268254.db2.gz YPVMVWFHOJLRSK-GOSISDBHSA-N 1 1 387.321 4.786 50 0 GJAAMO CC(C)(C)c1ccc2oc(=O)cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000054105885 209212346 /nfs/dbraw/zinc/21/23/46/209212346.db2.gz SKHYZMYQXHNGAY-UHFFFAOYSA-N 1 1 394.490 4.552 50 0 GJAAMO CC(C)CC(=O)N1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004744167 204071902 /nfs/dbraw/zinc/07/19/02/204071902.db2.gz GKPWMSDQYVEAHU-UHFFFAOYSA-N 1 1 378.560 4.768 50 0 GJAAMO Cc1ccccc1C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)C(C)C ZINC000004587537 204056156 /nfs/dbraw/zinc/05/61/56/204056156.db2.gz ZUQUWUCWIMPCTA-JOCHJYFZSA-N 1 1 386.536 4.619 50 0 GJAAMO C[N@H+](Cc1ccno1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011947704 204364308 /nfs/dbraw/zinc/36/43/08/204364308.db2.gz CHWMKJDENJPSJI-UHFFFAOYSA-N 1 1 398.466 4.965 50 0 GJAAMO C[N@@H+](Cc1ccno1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011947704 204364311 /nfs/dbraw/zinc/36/43/11/204364311.db2.gz CHWMKJDENJPSJI-UHFFFAOYSA-N 1 1 398.466 4.965 50 0 GJAAMO Cc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012202117 204383153 /nfs/dbraw/zinc/38/31/53/204383153.db2.gz BSTBOOUJJGOXAG-LJQANCHMSA-N 1 1 396.962 4.708 50 0 GJAAMO Cc1ncc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000012242404 204386651 /nfs/dbraw/zinc/38/66/51/204386651.db2.gz OOSMGYWMWZXNLP-HNNXBMFYSA-N 1 1 389.425 4.507 50 0 GJAAMO Cc1nc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c[nH]1 ZINC000012242404 204386656 /nfs/dbraw/zinc/38/66/56/204386656.db2.gz OOSMGYWMWZXNLP-HNNXBMFYSA-N 1 1 389.425 4.507 50 0 GJAAMO Cc1nc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c[nH]1 ZINC000012242404 204386658 /nfs/dbraw/zinc/38/66/58/204386658.db2.gz OOSMGYWMWZXNLP-HNNXBMFYSA-N 1 1 389.425 4.507 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2C)s1 ZINC000036101550 205006721 /nfs/dbraw/zinc/00/67/21/205006721.db2.gz PUBKUWWJHYEHPP-NRFANRHFSA-N 1 1 399.531 4.946 50 0 GJAAMO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000036347677 205013087 /nfs/dbraw/zinc/01/30/87/205013087.db2.gz MNAJRJQJUNQNFF-XMMPIXPASA-N 1 1 392.499 4.509 50 0 GJAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000036347677 205013092 /nfs/dbraw/zinc/01/30/92/205013092.db2.gz MNAJRJQJUNQNFF-XMMPIXPASA-N 1 1 392.499 4.509 50 0 GJAAMO Cc1cc([C@H](c2cccnc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545883 205038043 /nfs/dbraw/zinc/03/80/43/205038043.db2.gz SDQDWNGNUAXBKF-IBGZPJMESA-N 1 1 381.501 4.872 50 0 GJAAMO Fc1ccc(-c2csc(N3CC[NH+](C/C=C\c4ccccc4)CC3)n2)cc1 ZINC000055382866 205146845 /nfs/dbraw/zinc/14/68/45/205146845.db2.gz VJTZZMJRLADZRZ-DAXSKMNVSA-N 1 1 379.504 4.785 50 0 GJAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cc1F ZINC000056110543 205151088 /nfs/dbraw/zinc/15/10/88/205151088.db2.gz PGKDDYIMBMRBKW-UHFFFAOYSA-N 1 1 382.826 4.717 50 0 GJAAMO CCNc1ncc(C[N@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000071753416 205292067 /nfs/dbraw/zinc/29/20/67/205292067.db2.gz KKUGLTANKPNSLD-INIZCTEOSA-N 1 1 392.469 4.772 50 0 GJAAMO COc1c[nH]c(C[N@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cc1=O ZINC000072170085 205316603 /nfs/dbraw/zinc/31/66/03/205316603.db2.gz NOZYJIJQTUTRGG-OAHLLOKOSA-N 1 1 394.437 4.659 50 0 GJAAMO COC[C@H]1CC[N@@H+](Cc2cc3ccc(C)cc3nc2-c2ccc(OC)cc2)C1 ZINC000072429792 205350333 /nfs/dbraw/zinc/35/03/33/205350333.db2.gz NQZJUSHLXIPNRK-SFHVURJKSA-N 1 1 376.500 4.687 50 0 GJAAMO OC[C@@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 ZINC000072457492 205352884 /nfs/dbraw/zinc/35/28/84/205352884.db2.gz DEHUFGOOTAJQKB-OAHLLOKOSA-N 1 1 384.882 4.899 50 0 GJAAMO CCc1cc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nc(-c2ccccn2)n1 ZINC000079046633 205378686 /nfs/dbraw/zinc/37/86/86/205378686.db2.gz QBOSFYMYJHQOPO-MRXNPFEDSA-N 1 1 384.487 4.768 50 0 GJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cccc(Br)c1 ZINC000058137725 211777985 /nfs/dbraw/zinc/77/79/85/211777985.db2.gz YVJJLSCODIBRFA-UHFFFAOYSA-N 1 1 395.300 4.767 50 0 GJAAMO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccs3)CC2)c1 ZINC000096183727 206121296 /nfs/dbraw/zinc/12/12/96/206121296.db2.gz ZKWKRKKCSGKVLU-HSZRJFAPSA-N 1 1 390.552 4.912 50 0 GJAAMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000230030927 206109603 /nfs/dbraw/zinc/10/96/03/206109603.db2.gz LTOCOLQZXWTUBC-CMKODMSKSA-N 1 1 397.588 4.657 50 0 GJAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)o1 ZINC000229994614 206110364 /nfs/dbraw/zinc/11/03/64/206110364.db2.gz SRBPYMQORSDGOK-SJLPKXTDSA-N 1 1 378.476 4.855 50 0 GJAAMO Cc1[nH+]ccn1[C@H](C)Cc1nc(C2CC2)nn1-c1cc(Cl)ccc1Cl ZINC000096131069 211304446 /nfs/dbraw/zinc/30/44/46/211304446.db2.gz QVLPPTUXEYCOMX-LLVKDONJSA-N 1 1 376.291 4.760 50 0 GJAAMO CCCCO[C@H](C)C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095986093 211291519 /nfs/dbraw/zinc/29/15/19/211291519.db2.gz KQBRXJUZBGILMS-KNQAVFIVSA-N 1 1 390.568 4.610 50 0 GJAAMO COc1ccccc1NC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000079059088 211154361 /nfs/dbraw/zinc/15/43/61/211154361.db2.gz TXXOVXGYZDLIOF-UHFFFAOYSA-N 1 1 381.339 4.596 50 0 GJAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2nc(-c3ccncc3)nc3c2CCC3)cc1 ZINC000079046614 211152555 /nfs/dbraw/zinc/15/25/55/211152555.db2.gz SITUIGCYIGMDCH-MRXNPFEDSA-N 1 1 396.498 4.695 50 0 GJAAMO Cc1nn(C)cc1C[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000077252002 211128992 /nfs/dbraw/zinc/12/89/92/211128992.db2.gz CUVQFBBYAZDHMJ-UHFFFAOYSA-N 1 1 391.563 4.809 50 0 GJAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000077252002 211128996 /nfs/dbraw/zinc/12/89/96/211128996.db2.gz CUVQFBBYAZDHMJ-UHFFFAOYSA-N 1 1 391.563 4.809 50 0 GJAAMO O=C(Nc1nccs1)c1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000067947030 211030266 /nfs/dbraw/zinc/03/02/66/211030266.db2.gz OKKBOZLOOVOHMR-IBGZPJMESA-N 1 1 378.501 4.518 50 0 GJAAMO O=C(Nc1nccs1)c1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000067947030 211030269 /nfs/dbraw/zinc/03/02/69/211030269.db2.gz OKKBOZLOOVOHMR-IBGZPJMESA-N 1 1 378.501 4.518 50 0 GJAAMO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](CCc1ccccc1)C2 ZINC000067654889 211014374 /nfs/dbraw/zinc/01/43/74/211014374.db2.gz ODJZLARIEPFYOX-UHFFFAOYSA-N 1 1 380.875 4.545 50 0 GJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000023309023 210439373 /nfs/dbraw/zinc/43/93/73/210439373.db2.gz JESASIZDUDLKNV-XMMPIXPASA-N 1 1 388.486 4.682 50 0 GJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)[nH+]1 ZINC000021794182 210392733 /nfs/dbraw/zinc/39/27/33/210392733.db2.gz QOJIHHCDSPNEIB-UHFFFAOYSA-N 1 1 391.450 4.520 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794182 210392734 /nfs/dbraw/zinc/39/27/34/210392734.db2.gz QOJIHHCDSPNEIB-UHFFFAOYSA-N 1 1 391.450 4.520 50 0 GJAAMO CCC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020868374 210365197 /nfs/dbraw/zinc/36/51/97/210365197.db2.gz FUGHFMSBXOKNOF-YADHBBJMSA-N 1 1 391.914 4.583 50 0 GJAAMO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019907555 210305914 /nfs/dbraw/zinc/30/59/14/210305914.db2.gz FVIOPIYHDSQBJN-UHFFFAOYSA-N 1 1 384.523 4.553 50 0 GJAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2)cc1 ZINC000012073980 221146833 /nfs/dbraw/zinc/14/68/33/221146833.db2.gz DHILJFHDRJSJFX-HSZRJFAPSA-N 1 1 382.573 5.000 50 0 GJAAMO C[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012553047 221205971 /nfs/dbraw/zinc/20/59/71/221205971.db2.gz VKSABQUVIAQQOB-FXAWDEMLSA-N 1 1 379.525 4.774 50 0 GJAAMO Cc1ccc2[nH+]c(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1 ZINC000073295257 136171505 /nfs/dbraw/zinc/17/15/05/136171505.db2.gz ITCJJNJMYCQGTM-UHFFFAOYSA-N 1 1 390.531 4.891 50 0 GJAAMO Cc1cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)nc2ccccc12 ZINC000095519207 136180975 /nfs/dbraw/zinc/18/09/75/136180975.db2.gz HXYHCZVDWWGZBJ-UHFFFAOYSA-N 1 1 383.499 4.567 50 0 GJAAMO C[C@@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc2ccccc21 ZINC000012872260 570273298 /nfs/dbraw/zinc/27/32/98/570273298.db2.gz VGTPNPCGKPJDOH-LJQANCHMSA-N 1 1 387.527 4.552 50 0 GJAAMO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000014074884 570286094 /nfs/dbraw/zinc/28/60/94/570286094.db2.gz BPJHFLYBOZLCBT-HSZRJFAPSA-N 1 1 388.442 4.900 50 0 GJAAMO CCc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1 ZINC000021038611 570287815 /nfs/dbraw/zinc/28/78/15/570287815.db2.gz FXUMYPOXYLJCDV-UHFFFAOYSA-N 1 1 380.442 4.619 50 0 GJAAMO CCc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1 ZINC000021038611 570287818 /nfs/dbraw/zinc/28/78/18/570287818.db2.gz FXUMYPOXYLJCDV-UHFFFAOYSA-N 1 1 380.442 4.619 50 0 GJAAMO CN[C@@H](c1cccc(C(F)(F)F)c1)[C@H]([NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000022576661 570293717 /nfs/dbraw/zinc/29/37/17/570293717.db2.gz SBGOGHODWUZHIY-IYBDPMFKSA-N 1 1 376.344 4.945 50 0 GJAAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740815 570327187 /nfs/dbraw/zinc/32/71/87/570327187.db2.gz NGBKUSFYRHTSBD-SIKLNZKXSA-N 1 1 386.511 4.527 50 0 GJAAMO COc1cccc([C@@H](CC[NH+]2CCN(C)CC2)Oc2ccc(C(C)C)c(C)c2)c1 ZINC000034740127 570327263 /nfs/dbraw/zinc/32/72/63/570327263.db2.gz WSVBURXQHMVOMG-RUZDIDTESA-N 1 1 396.575 4.885 50 0 GJAAMO O=C(NCc1ccoc1)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2F)s1 ZINC000023367974 570357196 /nfs/dbraw/zinc/35/71/96/570357196.db2.gz RNIWONAUBOKIGA-SFHVURJKSA-N 1 1 384.476 4.747 50 0 GJAAMO O=C(NCc1ccoc1)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)s1 ZINC000023367974 570357199 /nfs/dbraw/zinc/35/71/99/570357199.db2.gz RNIWONAUBOKIGA-SFHVURJKSA-N 1 1 384.476 4.747 50 0 GJAAMO Cc1cccc(-c2ccc(C[N@@H+]3CCCn4nc([C@@H](O)C5CC5)cc4C3)cc2)c1 ZINC000219864460 570376797 /nfs/dbraw/zinc/37/67/97/570376797.db2.gz PEKVGBZOOLOKIE-VWLOTQADSA-N 1 1 387.527 4.708 50 0 GJAAMO Cc1cccc(-c2ccc(C[N@H+]3CCCn4nc([C@@H](O)C5CC5)cc4C3)cc2)c1 ZINC000219864460 570376800 /nfs/dbraw/zinc/37/68/00/570376800.db2.gz PEKVGBZOOLOKIE-VWLOTQADSA-N 1 1 387.527 4.708 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(OC)ccc4ccccc42)N3)C1 ZINC000006349166 570395585 /nfs/dbraw/zinc/39/55/85/570395585.db2.gz UDYFYICYQZRBLQ-HXUWFJFHSA-N 1 1 393.512 4.717 50 0 GJAAMO CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H]3c3cccs3)cc(=O)oc2c1 ZINC000025424063 570413562 /nfs/dbraw/zinc/41/35/62/570413562.db2.gz NBRDFACTBAKEED-KRWDZBQOSA-N 1 1 398.484 4.760 50 0 GJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 ZINC000004977568 570421304 /nfs/dbraw/zinc/42/13/04/570421304.db2.gz DBEWWPHYNOKFKC-QGZVFWFLSA-N 1 1 375.553 4.762 50 0 GJAAMO CCOc1ccccc1OCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000026492381 570426336 /nfs/dbraw/zinc/42/63/36/570426336.db2.gz CFBBATFVKMQSLG-UHFFFAOYSA-N 1 1 396.531 4.867 50 0 GJAAMO CNC(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2ccc(SC)cc2)cc1 ZINC000026925472 570429905 /nfs/dbraw/zinc/42/99/05/570429905.db2.gz NCYWZHGXKQOKCZ-UHFFFAOYSA-N 1 1 380.513 4.564 50 0 GJAAMO CNC(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(SC)cc2)cc1 ZINC000026925472 570429908 /nfs/dbraw/zinc/42/99/08/570429908.db2.gz NCYWZHGXKQOKCZ-UHFFFAOYSA-N 1 1 380.513 4.564 50 0 GJAAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000247999049 570434461 /nfs/dbraw/zinc/43/44/61/570434461.db2.gz NGBKUSFYRHTSBD-UGKGYDQZSA-N 1 1 386.511 4.527 50 0 GJAAMO CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)c1 ZINC000027663876 570439185 /nfs/dbraw/zinc/43/91/85/570439185.db2.gz JORLZVQMUWWNQR-NRFANRHFSA-N 1 1 386.923 4.696 50 0 GJAAMO Cc1c(C(=O)N2CC[C@@H](C)Sc3ccc(Cl)cc32)cnn1-c1cc[nH+]cc1 ZINC000131271966 570465090 /nfs/dbraw/zinc/46/50/90/570465090.db2.gz LLDULYHLFSHGRG-CYBMUJFWSA-N 1 1 398.919 4.760 50 0 GJAAMO CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000252477284 570474044 /nfs/dbraw/zinc/47/40/44/570474044.db2.gz LGGNYKYHOAYCMX-DLBZAZTESA-N 1 1 377.529 4.552 50 0 GJAAMO CC(C)c1cnc(C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000252477284 570474046 /nfs/dbraw/zinc/47/40/46/570474046.db2.gz LGGNYKYHOAYCMX-DLBZAZTESA-N 1 1 377.529 4.552 50 0 GJAAMO COc1ccc(C(C)=O)cc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000006580177 570480883 /nfs/dbraw/zinc/48/08/83/570480883.db2.gz OMXDPBVONHVDPD-UHFFFAOYSA-N 1 1 380.513 4.887 50 0 GJAAMO C[C@H]1CCCC[N@H+]1Cc1cn2c(nnc2-c2cccc(Br)c2)s1 ZINC000002467001 570498522 /nfs/dbraw/zinc/49/85/22/570498522.db2.gz UIOZKHJREUZVTH-LBPRGKRZSA-N 1 1 391.338 4.595 50 0 GJAAMO Cc1ccccc1[C@@H]1C2=C([NH+]=C3N=CNN31)c1ccccc1O[C@H]2c1cccs1 ZINC000002707213 570506159 /nfs/dbraw/zinc/50/61/59/570506159.db2.gz OTINGDSTQHQADC-YADHBBJMSA-N 1 1 398.491 4.861 50 0 GJAAMO COc1ccc(C[N@H+](Cc2cc(=O)oc3ccc(C)cc23)CC(C)C)cc1OC ZINC000033018672 570517957 /nfs/dbraw/zinc/51/79/57/570517957.db2.gz GABXNCYIPHJNKZ-UHFFFAOYSA-N 1 1 395.499 4.777 50 0 GJAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000033087173 570519749 /nfs/dbraw/zinc/51/97/49/570519749.db2.gz NYDOPDSWGPHEDB-HXUWFJFHSA-N 1 1 385.504 4.838 50 0 GJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102656 570539759 /nfs/dbraw/zinc/53/97/59/570539759.db2.gz GDDYIVNJIURZAP-JOCHJYFZSA-N 1 1 397.465 4.715 50 0 GJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102656 570539760 /nfs/dbraw/zinc/53/97/60/570539760.db2.gz GDDYIVNJIURZAP-JOCHJYFZSA-N 1 1 397.465 4.715 50 0 GJAAMO Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036104664 570541566 /nfs/dbraw/zinc/54/15/66/570541566.db2.gz AXJYXAIPHAHQQO-VWLOTQADSA-N 1 1 393.502 4.714 50 0 GJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)cc1OC ZINC000036347684 570563556 /nfs/dbraw/zinc/56/35/56/570563556.db2.gz NMBHXIUEGHOFMH-HSZRJFAPSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)cc1OC ZINC000036347684 570563557 /nfs/dbraw/zinc/56/35/57/570563557.db2.gz NMBHXIUEGHOFMH-HSZRJFAPSA-N 1 1 380.463 4.640 50 0 GJAAMO CCn1c2ccccc2nc1C[NH2+][C@@H]1CCCc2c1cnn2-c1ccccc1F ZINC000011664487 570578390 /nfs/dbraw/zinc/57/83/90/570578390.db2.gz DMBLXRMPLCVMAP-GOSISDBHSA-N 1 1 389.478 4.548 50 0 GJAAMO CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000062129931 570579254 /nfs/dbraw/zinc/57/92/54/570579254.db2.gz DOJVOVUTUKADBQ-UHFFFAOYSA-N 1 1 394.544 4.682 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000011818042 570584722 /nfs/dbraw/zinc/58/47/22/570584722.db2.gz JLLWGHVCQZGMTN-IBGZPJMESA-N 1 1 378.516 4.955 50 0 GJAAMO CSCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012054569 570602182 /nfs/dbraw/zinc/60/21/82/570602182.db2.gz IPAONOFVFGIZLE-IBGZPJMESA-N 1 1 382.573 4.549 50 0 GJAAMO Cc1cccc(Oc2c(C[N@H+](C[C@H](C)O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036306407 570604653 /nfs/dbraw/zinc/60/46/53/570604653.db2.gz GCRYMJAQWLDHBU-IBGZPJMESA-N 1 1 393.531 4.779 50 0 GJAAMO CN(C(=O)c1cc2ccccc2s1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012093537 570608120 /nfs/dbraw/zinc/60/81/20/570608120.db2.gz XTNPCHLTQKBELO-HXUWFJFHSA-N 1 1 378.541 4.680 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000042437768 570619553 /nfs/dbraw/zinc/61/95/53/570619553.db2.gz NOGOREVPLIDFCL-MRXNPFEDSA-N 1 1 383.442 4.743 50 0 GJAAMO CC[N@@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc(C)ccc1C)C(C)C ZINC000036342666 570625888 /nfs/dbraw/zinc/62/58/88/570625888.db2.gz GWFBQFURIKCOHH-QHCPKHFHSA-N 1 1 395.522 4.851 50 0 GJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)ccc1O ZINC000012300904 570635817 /nfs/dbraw/zinc/63/58/17/570635817.db2.gz MFUXLTPHNGYNQQ-LJQANCHMSA-N 1 1 375.468 4.649 50 0 GJAAMO COc1ccc(N[C@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)cc1 ZINC000012304545 570638114 /nfs/dbraw/zinc/63/81/14/570638114.db2.gz IDFYCVBXVHDPGY-KRWDZBQOSA-N 1 1 383.517 4.797 50 0 GJAAMO COc1ccc(N[C@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)cc1 ZINC000012304545 570638117 /nfs/dbraw/zinc/63/81/17/570638117.db2.gz IDFYCVBXVHDPGY-KRWDZBQOSA-N 1 1 383.517 4.797 50 0 GJAAMO CCc1ccccc1NC(=O)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877322 570668509 /nfs/dbraw/zinc/66/85/09/570668509.db2.gz YWRHXTMBVMGAEN-UHFFFAOYSA-N 1 1 377.532 4.551 50 0 GJAAMO CSCCC[N@H+](C)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000012470684 570672839 /nfs/dbraw/zinc/67/28/39/570672839.db2.gz ZQDOIYLXFJTPPZ-SFHVURJKSA-N 1 1 388.543 4.645 50 0 GJAAMO CSCCC[N@@H+](C)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000012470684 570672842 /nfs/dbraw/zinc/67/28/42/570672842.db2.gz ZQDOIYLXFJTPPZ-SFHVURJKSA-N 1 1 388.543 4.645 50 0 GJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@@H](CO)C2)c(C)s1 ZINC000012578269 570682735 /nfs/dbraw/zinc/68/27/35/570682735.db2.gz PDSHNUNLUUHOES-QGZVFWFLSA-N 1 1 399.535 4.561 50 0 GJAAMO Cc1oc(-c2ccccc2F)nc1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC000012593391 570688099 /nfs/dbraw/zinc/68/80/99/570688099.db2.gz GBSWNFJQTFEOPV-LJQANCHMSA-N 1 1 380.463 4.970 50 0 GJAAMO Cc1oc(-c2ccccc2F)nc1C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC000012593391 570688103 /nfs/dbraw/zinc/68/81/03/570688103.db2.gz GBSWNFJQTFEOPV-LJQANCHMSA-N 1 1 380.463 4.970 50 0 GJAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000055242868 570688354 /nfs/dbraw/zinc/68/83/54/570688354.db2.gz UALLQIILTAZTKX-SFHVURJKSA-N 1 1 397.544 4.586 50 0 GJAAMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000055242868 570688356 /nfs/dbraw/zinc/68/83/56/570688356.db2.gz UALLQIILTAZTKX-SFHVURJKSA-N 1 1 397.544 4.586 50 0 GJAAMO COCc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)ccc1OC ZINC000012718688 570705930 /nfs/dbraw/zinc/70/59/30/570705930.db2.gz XDKSISNSWMGLSK-GOSISDBHSA-N 1 1 387.907 4.590 50 0 GJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000013134455 570748352 /nfs/dbraw/zinc/74/83/52/570748352.db2.gz OVOIFXKKUCJITK-PKOBYXMFSA-N 1 1 375.299 4.750 50 0 GJAAMO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000013361836 570753737 /nfs/dbraw/zinc/75/37/37/570753737.db2.gz GAUGLBVEJRYEEX-GHTZIAJQSA-N 1 1 378.516 4.552 50 0 GJAAMO O=c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)nc2sccn21 ZINC000021944786 570772713 /nfs/dbraw/zinc/77/27/13/570772713.db2.gz SPQVBJVESJZWKB-UHFFFAOYSA-N 1 1 395.915 4.612 50 0 GJAAMO O=c1cc(C[N@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)nc2sccn21 ZINC000021944786 570772714 /nfs/dbraw/zinc/77/27/14/570772714.db2.gz SPQVBJVESJZWKB-UHFFFAOYSA-N 1 1 395.915 4.612 50 0 GJAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1cc(C(C)(C)C)no1)C1CCCCC1 ZINC000032753336 570796017 /nfs/dbraw/zinc/79/60/17/570796017.db2.gz XCTAGJNCOLVYFV-UHFFFAOYSA-N 1 1 398.551 4.787 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000003378775 570863871 /nfs/dbraw/zinc/86/38/71/570863871.db2.gz MVPCFRUYJFBZJC-HNNXBMFYSA-N 1 1 385.305 4.565 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000003378775 570863875 /nfs/dbraw/zinc/86/38/75/570863875.db2.gz MVPCFRUYJFBZJC-HNNXBMFYSA-N 1 1 385.305 4.565 50 0 GJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](CCCC(F)(F)F)C2)c(C)c1 ZINC000014954177 570865661 /nfs/dbraw/zinc/86/56/61/570865661.db2.gz ONKGQKLGIOPTGG-INIZCTEOSA-N 1 1 386.458 4.777 50 0 GJAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc3ccccc32)oc1C ZINC000014980208 570869281 /nfs/dbraw/zinc/86/92/81/570869281.db2.gz ADHPFKVYEPEOQL-FQEVSTJZSA-N 1 1 391.515 4.684 50 0 GJAAMO CC(C)n1cc(CCCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613484 570871899 /nfs/dbraw/zinc/87/18/99/570871899.db2.gz GNZVPDSPCKPLRR-OFNKIYASSA-N 1 1 395.591 4.926 50 0 GJAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCCC2)o1 ZINC000015860452 570907253 /nfs/dbraw/zinc/90/72/53/570907253.db2.gz GMEULRRBMCLEQA-FQEVSTJZSA-N 1 1 393.487 4.508 50 0 GJAAMO C[N@@H+]1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 ZINC000023153862 570919913 /nfs/dbraw/zinc/91/99/13/570919913.db2.gz FNXZFVUGJUSEAZ-UHFFFAOYSA-N 1 1 385.558 4.997 50 0 GJAAMO C[N@H+]1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 ZINC000023153862 570919916 /nfs/dbraw/zinc/91/99/16/570919916.db2.gz FNXZFVUGJUSEAZ-UHFFFAOYSA-N 1 1 385.558 4.997 50 0 GJAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012682763 570948899 /nfs/dbraw/zinc/94/88/99/570948899.db2.gz NDZUGOXLYJEPGN-OXJNMPFZSA-N 1 1 390.483 4.656 50 0 GJAAMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000106528109 570964584 /nfs/dbraw/zinc/96/45/84/570964584.db2.gz CFYURJGRNNQFBF-UYAOXDASSA-N 1 1 391.273 4.771 50 0 GJAAMO CCc1ccc2c(C[N@H+]3CCC[C@H]3c3ccc(OC)cc3OC)cc(=O)oc2c1 ZINC000007739825 571029355 /nfs/dbraw/zinc/02/93/55/571029355.db2.gz PFVZMMCABYYNLK-NRFANRHFSA-N 1 1 393.483 4.710 50 0 GJAAMO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C1CCCCC1 ZINC000016334373 210188849 /nfs/dbraw/zinc/18/88/49/210188849.db2.gz DFZMYKWWPPKYMT-KRWDZBQOSA-N 1 1 387.574 4.752 50 0 GJAAMO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862357 210176258 /nfs/dbraw/zinc/17/62/58/210176258.db2.gz QATWRFYYVXPJEC-UHFFFAOYSA-N 1 1 384.907 4.992 50 0 GJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000015859682 210175002 /nfs/dbraw/zinc/17/50/02/210175002.db2.gz BMZWABXGULLPOH-SFHVURJKSA-N 1 1 399.878 4.545 50 0 GJAAMO COc1ccc(-c2nc3ccccc3c(NCC[N@H+]3CCCC[C@H]3C)n2)cc1 ZINC000015781591 210169629 /nfs/dbraw/zinc/16/96/29/210169629.db2.gz UKOAZRGBXAWKAC-QGZVFWFLSA-N 1 1 376.504 4.592 50 0 GJAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC1(Cn2cccc2)CCCCC1 ZINC000409415167 529949777 /nfs/dbraw/zinc/94/97/77/529949777.db2.gz VVXABPNVOPRQHR-FCHUYYIVSA-N 1 1 385.596 4.552 50 0 biogenic GJAAMO Cn1cc(C[N@@H+](C)Cc2cc3cc(F)ccc3[nH]2)c(-c2cccc(Cl)c2)n1 ZINC000015071018 210147920 /nfs/dbraw/zinc/14/79/20/210147920.db2.gz PUVZUJHFUFZVMV-UHFFFAOYSA-N 1 1 382.870 4.993 50 0 GJAAMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000426677477 530053169 /nfs/dbraw/zinc/05/31/69/530053169.db2.gz NFHNZBULORZQIQ-KRWDZBQOSA-N 1 1 376.422 4.587 50 0 GJAAMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1 ZINC000014974058 210138174 /nfs/dbraw/zinc/13/81/74/210138174.db2.gz WDHRUFJWEVUITB-OAQYLSRUSA-N 1 1 394.515 4.527 50 0 GJAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000012939336 210033942 /nfs/dbraw/zinc/03/39/42/210033942.db2.gz LCQZKYKGTGCMDQ-LJQANCHMSA-N 1 1 392.528 4.587 50 0 GJAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000012939336 210033946 /nfs/dbraw/zinc/03/39/46/210033946.db2.gz LCQZKYKGTGCMDQ-LJQANCHMSA-N 1 1 392.528 4.587 50 0 GJAAMO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012866121 210021276 /nfs/dbraw/zinc/02/12/76/210021276.db2.gz QGPRFJQFNVOAKH-NRFANRHFSA-N 1 1 394.515 4.747 50 0 GJAAMO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012866121 210021281 /nfs/dbraw/zinc/02/12/81/210021281.db2.gz QGPRFJQFNVOAKH-NRFANRHFSA-N 1 1 394.515 4.747 50 0 GJAAMO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccco1 ZINC000012778523 210008170 /nfs/dbraw/zinc/00/81/70/210008170.db2.gz WKMOXYHHOUOIPH-LJQANCHMSA-N 1 1 391.496 4.589 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3cc(C)ccc3C)ccc2c1 ZINC000012773055 210006726 /nfs/dbraw/zinc/00/67/26/210006726.db2.gz REJRNNQVOKPXOR-SFHVURJKSA-N 1 1 376.500 4.924 50 0 GJAAMO CC(C)CC[N@@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000002912896 209397239 /nfs/dbraw/zinc/39/72/39/209397239.db2.gz NWCYIWAVQOVAQG-UHFFFAOYSA-N 1 1 387.515 4.845 50 0 GJAAMO Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000002262571 209354024 /nfs/dbraw/zinc/35/40/24/209354024.db2.gz YMQXEQVZSOELPN-XZOQPEGZSA-N 1 1 396.425 4.630 50 0 GJAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C[C@@H](C)O1 ZINC000001447533 209329123 /nfs/dbraw/zinc/32/91/23/209329123.db2.gz ROEFXBGBQFYOFH-QZTJIDSGSA-N 1 1 384.483 4.701 50 0 GJAAMO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000003351485 204000935 /nfs/dbraw/zinc/00/09/35/204000935.db2.gz KMVJNMSFIRSGRR-QHCPKHFHSA-N 1 1 388.467 4.502 50 0 GJAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000003587109 204014120 /nfs/dbraw/zinc/01/41/20/204014120.db2.gz NKDCBKKWDZRZQK-UHFFFAOYSA-N 1 1 393.350 4.550 50 0 GJAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000003587109 204014125 /nfs/dbraw/zinc/01/41/25/204014125.db2.gz NKDCBKKWDZRZQK-UHFFFAOYSA-N 1 1 393.350 4.550 50 0 GJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961555 204097321 /nfs/dbraw/zinc/09/73/21/204097321.db2.gz PUAZNROLKJHOOW-ZDUSSCGKSA-N 1 1 387.936 4.625 50 0 GJAAMO CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)ccc1O ZINC000005438168 204131498 /nfs/dbraw/zinc/13/14/98/204131498.db2.gz RVXDQELNFFGFNG-IGKWTDBASA-N 1 1 399.506 4.798 50 0 GJAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000007718369 204247749 /nfs/dbraw/zinc/24/77/49/204247749.db2.gz GQWAVFJNMMCYBO-NRFANRHFSA-N 1 1 393.483 4.764 50 0 GJAAMO COC[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000011816900 204353712 /nfs/dbraw/zinc/35/37/12/204353712.db2.gz OQNJZVOSYROEHZ-QGZVFWFLSA-N 1 1 399.535 4.825 50 0 GJAAMO COc1cccc([C@@H](C)[N@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000011813578 204354174 /nfs/dbraw/zinc/35/41/74/204354174.db2.gz ZLLRBLVVVWQFEP-OAHLLOKOSA-N 1 1 396.487 4.869 50 0 GJAAMO COc1cccc([C@@H](C)[N@@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000011813578 204354180 /nfs/dbraw/zinc/35/41/80/204354180.db2.gz ZLLRBLVVVWQFEP-OAHLLOKOSA-N 1 1 396.487 4.869 50 0 GJAAMO Cn1cc(C[N@@H+](C)CC2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000011841743 204357523 /nfs/dbraw/zinc/35/75/23/204357523.db2.gz AQSKPJADHFIGPT-UHFFFAOYSA-N 1 1 391.515 4.738 50 0 GJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCCC[C@H]1CO ZINC000011948552 204365042 /nfs/dbraw/zinc/36/50/42/204365042.db2.gz ZTFPGSSIUBRTAC-IBGZPJMESA-N 1 1 378.472 4.789 50 0 GJAAMO COC[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)C1 ZINC000011952062 204365177 /nfs/dbraw/zinc/36/51/77/204365177.db2.gz FMUCJWTVQJTHST-QGZVFWFLSA-N 1 1 397.469 4.594 50 0 GJAAMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)[C@H]1CCOC1 ZINC000012301322 204391873 /nfs/dbraw/zinc/39/18/73/204391873.db2.gz FHBCDIDHFWNBDL-NRFANRHFSA-N 1 1 387.483 4.565 50 0 GJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+]1CCCC(F)(F)F ZINC000012307468 204393034 /nfs/dbraw/zinc/39/30/34/204393034.db2.gz JXJNNFVQWIELFE-QGZVFWFLSA-N 1 1 393.409 4.619 50 0 GJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1CCCC(F)(F)F ZINC000012307468 204393038 /nfs/dbraw/zinc/39/30/38/204393038.db2.gz JXJNNFVQWIELFE-QGZVFWFLSA-N 1 1 393.409 4.619 50 0 GJAAMO COc1ccccc1CN(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012317969 204395545 /nfs/dbraw/zinc/39/55/45/204395545.db2.gz RCDIHAQSZMKHGM-UHFFFAOYSA-N 1 1 393.575 4.747 50 0 GJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(F)cc1Cl ZINC000012994952 204476151 /nfs/dbraw/zinc/47/61/51/204476151.db2.gz JVTIQXHTVRMISL-IBGZPJMESA-N 1 1 392.858 4.997 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)c(C)c1 ZINC000036098989 205005772 /nfs/dbraw/zinc/00/57/72/205005772.db2.gz YPZUTMNWVNQUPU-QHCPKHFHSA-N 1 1 397.490 4.615 50 0 GJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)CC ZINC000036308535 205010662 /nfs/dbraw/zinc/01/06/62/205010662.db2.gz DQZVDQUNUKTDMW-NRFANRHFSA-N 1 1 393.531 4.956 50 0 GJAAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000040156069 205059320 /nfs/dbraw/zinc/05/93/20/205059320.db2.gz NAPVSMRPFDLWPZ-ZDUSSCGKSA-N 1 1 396.541 4.596 50 0 GJAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)NCc1ccccc1F)C1CC1 ZINC000040155725 205060076 /nfs/dbraw/zinc/06/00/76/205060076.db2.gz GMMNWVLFOFZGPU-CQSZACIVSA-N 1 1 394.412 4.686 50 0 GJAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)NCc1ccccc1F)C1CC1 ZINC000040155725 205060081 /nfs/dbraw/zinc/06/00/81/205060081.db2.gz GMMNWVLFOFZGPU-CQSZACIVSA-N 1 1 394.412 4.686 50 0 GJAAMO CCCC[N@H+]1C[C@@H](C(=O)NCc2ccccc2)C[C@@H](c2ccc(CC)cc2)C1 ZINC000040424902 205065713 /nfs/dbraw/zinc/06/57/13/205065713.db2.gz YFGCFRVVATZUQP-RPWUZVMVSA-N 1 1 378.560 4.771 50 0 GJAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccccc1C[NH+]1CCCC1 ZINC000052919910 205134570 /nfs/dbraw/zinc/13/45/70/205134570.db2.gz QPVNKMJXYRZJNE-UHFFFAOYSA-N 1 1 392.522 4.514 50 0 GJAAMO c1cncc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000055228098 205145916 /nfs/dbraw/zinc/14/59/16/205145916.db2.gz KPMYXFLCQWSMNI-HSZRJFAPSA-N 1 1 378.564 4.524 50 0 GJAAMO Cn1cnnc1Sc1ccc(C[N@@H+](Cc2cccnc2)C2CCCCCC2)o1 ZINC000055325448 205147473 /nfs/dbraw/zinc/14/74/73/205147473.db2.gz XNVQDRQFFNSMNY-UHFFFAOYSA-N 1 1 397.548 4.679 50 0 GJAAMO CC[N@H+](CCCSc1ccccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058296848 205171769 /nfs/dbraw/zinc/17/17/69/205171769.db2.gz YFOGQBZPXCADKJ-UHFFFAOYSA-N 1 1 387.936 4.581 50 0 GJAAMO CC[N@@H+](CCCSc1ccccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058296848 205171773 /nfs/dbraw/zinc/17/17/73/205171773.db2.gz YFOGQBZPXCADKJ-UHFFFAOYSA-N 1 1 387.936 4.581 50 0 GJAAMO CCn1cc(C[N@@H+]2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)cn1 ZINC000067872412 205264034 /nfs/dbraw/zinc/26/40/34/205264034.db2.gz LDYABKITCYCJHP-UHFFFAOYSA-N 1 1 383.499 4.518 50 0 GJAAMO CCn1cc(C[N@H+]2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)cn1 ZINC000067872412 205264039 /nfs/dbraw/zinc/26/40/39/205264039.db2.gz LDYABKITCYCJHP-UHFFFAOYSA-N 1 1 383.499 4.518 50 0 GJAAMO Cc1ccc2cc(C3(O)CC[NH+](Cc4ccc(C)c(F)c4F)CC3)ccc2n1 ZINC000067847067 205264374 /nfs/dbraw/zinc/26/43/74/205264374.db2.gz FQHJTQSICATOSD-UHFFFAOYSA-N 1 1 382.454 4.613 50 0 GJAAMO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](CCc1ccccn1)C2 ZINC000067868273 205265387 /nfs/dbraw/zinc/26/53/87/205265387.db2.gz VQQRPKOVKKDQDQ-UHFFFAOYSA-N 1 1 380.875 4.545 50 0 GJAAMO COC[C@H]1CC[N@@H+](Cc2cc3ccc(OC)cc3nc2-c2cccc(C)c2)C1 ZINC000072435525 205350158 /nfs/dbraw/zinc/35/01/58/205350158.db2.gz ODPFVPUWKDWDKJ-SFHVURJKSA-N 1 1 376.500 4.687 50 0 GJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+](C)Cc2ccncn2)cc1 ZINC000072424958 205348165 /nfs/dbraw/zinc/34/81/65/205348165.db2.gz YVMMGQUPUAXMTN-UHFFFAOYSA-N 1 1 384.483 4.641 50 0 GJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)Cc2ccncn2)cc1 ZINC000072424958 205348169 /nfs/dbraw/zinc/34/81/69/205348169.db2.gz YVMMGQUPUAXMTN-UHFFFAOYSA-N 1 1 384.483 4.641 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017245207 205908847 /nfs/dbraw/zinc/90/88/47/205908847.db2.gz QMKMVZFOTCWUDB-PBWIWHKOSA-N 1 1 383.576 4.769 50 0 GJAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1c(-c3ccccc3)nc3ccccn31)CC2 ZINC000030673005 206081953 /nfs/dbraw/zinc/08/19/53/206081953.db2.gz BBQQAGTWPROBGU-UHFFFAOYSA-N 1 1 399.494 4.577 50 0 GJAAMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCc2cccc3[nH]ccc32)c1 ZINC000299759827 206187214 /nfs/dbraw/zinc/18/72/14/206187214.db2.gz NQELYHQRXJOTNP-KRWDZBQOSA-N 1 1 376.504 4.864 50 0 GJAAMO COc1ccc(-c2nc(COC(=O)C(C)(C)[N@@H+](C)C3CCCC3)cs2)cc1 ZINC000095466534 211245826 /nfs/dbraw/zinc/24/58/26/211245826.db2.gz OZRLWCZFCJLVIK-UHFFFAOYSA-N 1 1 388.533 4.515 50 0 GJAAMO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+](C)C[C@H]2CCCCO2)o1 ZINC000072454054 211120008 /nfs/dbraw/zinc/12/00/08/211120008.db2.gz LXRVNUQSIQNMLW-HXUWFJFHSA-N 1 1 383.467 4.581 50 0 GJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931377 210370656 /nfs/dbraw/zinc/37/06/56/210370656.db2.gz SYOMPSSWCJJEMA-HNNXBMFYSA-N 1 1 390.618 4.595 50 0 GJAAMO O=C(NCc1ccccc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019822896 210300262 /nfs/dbraw/zinc/30/02/62/210300262.db2.gz GTQNLNWIBLECBQ-UHFFFAOYSA-N 1 1 390.914 4.828 50 0 GJAAMO COc1cccc([C@H](C)[N@H+](C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011815244 221127455 /nfs/dbraw/zinc/12/74/55/221127455.db2.gz NRPGJXBHZPGLEM-HNNXBMFYSA-N 1 1 396.487 4.869 50 0 GJAAMO COc1cccc([C@H](C)[N@@H+](C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011815244 221127460 /nfs/dbraw/zinc/12/74/60/221127460.db2.gz NRPGJXBHZPGLEM-HNNXBMFYSA-N 1 1 396.487 4.869 50 0 GJAAMO C=Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)cc1 ZINC000012074241 221147353 /nfs/dbraw/zinc/14/73/53/221147353.db2.gz ZRUUNRHQKMJTGX-XMMPIXPASA-N 1 1 396.481 4.736 50 0 GJAAMO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccccc4)CC3)c2cc1C(C)C ZINC000057945211 136154227 /nfs/dbraw/zinc/15/42/27/136154227.db2.gz OYAZHGTUPFKKOB-UHFFFAOYSA-N 1 1 376.500 4.547 50 0 GJAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)cc1 ZINC000096280589 136186099 /nfs/dbraw/zinc/18/60/99/136186099.db2.gz NMVYVRYOXZALEO-UHFFFAOYSA-N 1 1 385.511 4.570 50 0 GJAAMO Clc1ccc(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)cc1 ZINC000004990231 136194390 /nfs/dbraw/zinc/19/43/90/136194390.db2.gz XZVZIHKZBZTFIW-UHFFFAOYSA-N 1 1 379.891 4.850 50 0 GJAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000020201831 570247771 /nfs/dbraw/zinc/24/77/71/570247771.db2.gz VOMPXUKUNDBHJG-HXUWFJFHSA-N 1 1 389.499 4.536 50 0 GJAAMO CC(C)c1ccc(N[C@@H]2CCC[N@H+](C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000020455277 570258722 /nfs/dbraw/zinc/25/87/22/570258722.db2.gz DMSYFKSAHZNHEC-XMMPIXPASA-N 1 1 392.591 4.746 50 0 GJAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000026121093 570281248 /nfs/dbraw/zinc/28/12/48/570281248.db2.gz ZJHHSXJHZFMCLU-UHFFFAOYSA-N 1 1 376.504 4.603 50 0 GJAAMO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000010707796 570284900 /nfs/dbraw/zinc/28/49/00/570284900.db2.gz VKZDYGZAWJRNKS-UHFFFAOYSA-N 1 1 386.495 4.827 50 0 GJAAMO CC[N@H+]1CCc2ccc(OCC(=O)Nc3ccccc3)cc2[C@H]1c1ccccc1 ZINC000034667410 570292710 /nfs/dbraw/zinc/29/27/10/570292710.db2.gz OCRIFFKJAWTRHU-RUZDIDTESA-N 1 1 386.495 4.672 50 0 GJAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)ccc1O ZINC000006922837 570298224 /nfs/dbraw/zinc/29/82/24/570298224.db2.gz ZPRXFOYSQXJVFF-FGCOXFRFSA-N 1 1 381.516 4.578 50 0 biogenic GJAAMO CNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccccc3)s2)s1 ZINC000023380109 570359401 /nfs/dbraw/zinc/35/94/01/570359401.db2.gz VBCQMGOFTSTGKT-MRXNPFEDSA-N 1 1 383.542 4.568 50 0 GJAAMO CNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccccc3)s2)s1 ZINC000023380109 570359403 /nfs/dbraw/zinc/35/94/03/570359403.db2.gz VBCQMGOFTSTGKT-MRXNPFEDSA-N 1 1 383.542 4.568 50 0 GJAAMO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000023989551 570376128 /nfs/dbraw/zinc/37/61/28/570376128.db2.gz NJHWPLJIOHDJMX-HNNXBMFYSA-N 1 1 394.475 4.865 50 0 GJAAMO Cc1ccn2c(=O)cc(C[N@H+](Cc3ccc(C(C)C)cc3)CC(C)C)nc2c1 ZINC000035502652 570377457 /nfs/dbraw/zinc/37/74/57/570377457.db2.gz KNTPDLBRUGTVED-UHFFFAOYSA-N 1 1 377.532 4.785 50 0 GJAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc2ncsc2c1 ZINC000033028445 570399675 /nfs/dbraw/zinc/39/96/75/570399675.db2.gz SMRLTTVDGXBIOH-GOSISDBHSA-N 1 1 385.920 4.517 50 0 GJAAMO Cc1csc2nc(C[N@H+](Cc3ccc(C(C)C)cc3)CC(C)C)cc(=O)n12 ZINC000033268855 570404166 /nfs/dbraw/zinc/40/41/66/570404166.db2.gz LTNFBKCDCIXDHQ-UHFFFAOYSA-N 1 1 383.561 4.846 50 0 GJAAMO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000025664994 570417760 /nfs/dbraw/zinc/41/77/60/570417760.db2.gz JJSSECSJEFTAER-KOSHJBKYSA-N 1 1 398.462 4.522 50 0 GJAAMO CC(C)c1oc([C@@H]2CCC[N@@H+]2CCOC[C@H]2CCCCO2)nc1-c1ccccc1 ZINC000241930363 570431825 /nfs/dbraw/zinc/43/18/25/570431825.db2.gz UHYOTCOMLSQKFP-RTWAWAEBSA-N 1 1 398.547 5.188 50 0 GJAAMO CC(C)c1oc([C@@H]2CCC[N@H+]2CCOC[C@H]2CCCCO2)nc1-c1ccccc1 ZINC000241930363 570431829 /nfs/dbraw/zinc/43/18/29/570431829.db2.gz UHYOTCOMLSQKFP-RTWAWAEBSA-N 1 1 398.547 5.188 50 0 GJAAMO CC(C)c1ccc2oc(=O)cc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000054106041 570441311 /nfs/dbraw/zinc/44/13/11/570441311.db2.gz RBMDMUOFGINFAR-UHFFFAOYSA-N 1 1 396.918 4.892 50 0 GJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cc(C)c(C)o3)C2)c(C)c1 ZINC000011874322 570442368 /nfs/dbraw/zinc/44/23/68/570442368.db2.gz ZZUMPYMBUMZBOR-LJQANCHMSA-N 1 1 384.520 4.844 50 0 GJAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)o1 ZINC000252444087 570474300 /nfs/dbraw/zinc/47/43/00/570474300.db2.gz GHEZEQSOIUMALB-AEFFLSMTSA-N 1 1 378.476 4.712 50 0 GJAAMO COc1ccc2cc([C@H](C)[NH+]3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2c1 ZINC000072304830 570516632 /nfs/dbraw/zinc/51/66/32/570516632.db2.gz UDXGTDVWXHYBLY-KRWDZBQOSA-N 1 1 392.474 4.507 50 0 GJAAMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCCc2ccccc21 ZINC000009062760 570548047 /nfs/dbraw/zinc/54/80/47/570548047.db2.gz UPQCDTCYQIBDFV-UHFFFAOYSA-N 1 1 386.898 4.671 50 0 GJAAMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000035287449 570551189 /nfs/dbraw/zinc/55/11/89/570551189.db2.gz YVSJDIDTUPXEER-VQTJNVASSA-N 1 1 386.923 4.833 50 0 GJAAMO CC(C)c1csc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)n1 ZINC000011873037 570589284 /nfs/dbraw/zinc/58/92/84/570589284.db2.gz HEYIMKLEGVXYLO-IBGZPJMESA-N 1 1 389.584 4.792 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343824 570626645 /nfs/dbraw/zinc/62/66/45/570626645.db2.gz PFPJHPBTVKMRTP-QFIPXVFZSA-N 1 1 395.934 4.730 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000036344747 570627045 /nfs/dbraw/zinc/62/70/45/570627045.db2.gz JAAWZMSWAFQEBL-FDDCHVKYSA-N 1 1 393.506 4.686 50 0 GJAAMO COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)c1 ZINC000036348394 570629699 /nfs/dbraw/zinc/62/96/99/570629699.db2.gz BUWRMNZAFSEUCS-DEOSSOPVSA-N 1 1 376.500 4.809 50 0 GJAAMO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000012300519 570635836 /nfs/dbraw/zinc/63/58/36/570635836.db2.gz VTGKECSOVZGDFJ-HXUWFJFHSA-N 1 1 389.474 4.738 50 0 GJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1 ZINC000012429462 570658198 /nfs/dbraw/zinc/65/81/98/570658198.db2.gz WLMQEZPKFYCXIM-IBGZPJMESA-N 1 1 396.506 4.968 50 0 GJAAMO CCCN1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000012706239 570700609 /nfs/dbraw/zinc/70/06/09/570700609.db2.gz UDWOYAXVCGRDPW-JOCHJYFZSA-N 1 1 394.559 4.618 50 0 GJAAMO CCC[NH+]1CCC(N2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000012706239 570700612 /nfs/dbraw/zinc/70/06/12/570700612.db2.gz UDWOYAXVCGRDPW-JOCHJYFZSA-N 1 1 394.559 4.618 50 0 GJAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CC1=CCCCC1 ZINC000012708966 570701495 /nfs/dbraw/zinc/70/14/95/570701495.db2.gz CXTNGAFCSFIWBE-HSZRJFAPSA-N 1 1 398.591 4.689 50 0 GJAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)cc(OC)c1 ZINC000013594270 570760978 /nfs/dbraw/zinc/76/09/78/570760978.db2.gz LTONBXNBEKCFOE-KRWDZBQOSA-N 1 1 385.529 4.521 50 0 GJAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)cc(OC)c1 ZINC000013594270 570760981 /nfs/dbraw/zinc/76/09/81/570760981.db2.gz LTONBXNBEKCFOE-KRWDZBQOSA-N 1 1 385.529 4.521 50 0 GJAAMO CC(C)C[C@H](C(=O)N(CC1CC1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12)n1cccc1 ZINC000524731561 570766438 /nfs/dbraw/zinc/76/64/38/570766438.db2.gz BWWZNAGGRMEFPI-YTFSRNRJSA-N 1 1 385.596 4.578 50 0 biogenic GJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc2cc(F)ccc2[nH]1 ZINC000032755174 570797620 /nfs/dbraw/zinc/79/76/20/570797620.db2.gz WKZDSWZFWPYCDU-FQEVSTJZSA-N 1 1 385.870 4.527 50 0 GJAAMO CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000005937007 570805454 /nfs/dbraw/zinc/80/54/54/570805454.db2.gz SGSMDJTXCMLMHA-UHFFFAOYSA-N 1 1 387.863 4.774 50 0 GJAAMO COc1ccc(-c2noc(C[N@H+]3CCCCC[C@H]3c3ccc(OC)cc3)n2)cc1 ZINC000012567906 570871667 /nfs/dbraw/zinc/87/16/67/570871667.db2.gz ILPLSZXXZPMYJX-NRFANRHFSA-N 1 1 393.487 4.871 50 0 GJAAMO COc1ccc(-c2noc(C[N@@H+]3CCCCC[C@H]3c3ccc(OC)cc3)n2)cc1 ZINC000012567906 570871669 /nfs/dbraw/zinc/87/16/69/570871669.db2.gz ILPLSZXXZPMYJX-NRFANRHFSA-N 1 1 393.487 4.871 50 0 GJAAMO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)s1 ZINC000015067973 570876318 /nfs/dbraw/zinc/87/63/18/570876318.db2.gz KJXGGYSDKSPOIX-SFHVURJKSA-N 1 1 398.601 4.857 50 0 GJAAMO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)ccc1O ZINC000015074384 570878446 /nfs/dbraw/zinc/87/84/46/570878446.db2.gz XKVRYXGQUJQGQB-KRWDZBQOSA-N 1 1 385.529 4.608 50 0 GJAAMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)ccc1O ZINC000015074384 570878448 /nfs/dbraw/zinc/87/84/48/570878448.db2.gz XKVRYXGQUJQGQB-KRWDZBQOSA-N 1 1 385.529 4.608 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000004556335 570883019 /nfs/dbraw/zinc/88/30/19/570883019.db2.gz TUYUUMSGLSTZHF-HNNXBMFYSA-N 1 1 382.316 4.862 50 0 GJAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012592050 570883634 /nfs/dbraw/zinc/88/36/34/570883634.db2.gz MXKQQLFLLZZTJB-SFHVURJKSA-N 1 1 380.507 4.732 50 0 GJAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012592058 570883665 /nfs/dbraw/zinc/88/36/65/570883665.db2.gz MXKQQLFLLZZTJB-GOSISDBHSA-N 1 1 380.507 4.732 50 0 GJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000004027803 570907939 /nfs/dbraw/zinc/90/79/39/570907939.db2.gz KHFKPQUVHDDJDC-TUACAJSNSA-N 1 1 389.539 4.800 50 0 biogenic GJAAMO Cc1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cnn1-c1cc[nH+]cc1 ZINC000097022404 570914853 /nfs/dbraw/zinc/91/48/53/570914853.db2.gz QAFLKQSAXHNNJG-UHFFFAOYSA-N 1 1 395.875 4.605 50 0 GJAAMO O=C(Nc1ccccc1F)c1ccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)s1 ZINC000023145283 570919876 /nfs/dbraw/zinc/91/98/76/570919876.db2.gz JGFPROYHWGDWCM-SFHVURJKSA-N 1 1 381.476 4.872 50 0 GJAAMO O=C(Nc1ccccc1F)c1ccc([C@@H]2CCC[N@H+]2Cc2cccnc2)s1 ZINC000023145283 570919879 /nfs/dbraw/zinc/91/98/79/570919879.db2.gz JGFPROYHWGDWCM-SFHVURJKSA-N 1 1 381.476 4.872 50 0 GJAAMO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C1CCCCC1 ZINC000016334371 570922482 /nfs/dbraw/zinc/92/24/82/570922482.db2.gz DFZMYKWWPPKYMT-QGZVFWFLSA-N 1 1 387.574 4.752 50 0 GJAAMO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)n(-c2ccccc2)n1 ZINC000012694273 570963499 /nfs/dbraw/zinc/96/34/99/570963499.db2.gz YFLXIDPCNZJUOK-RTBURBONSA-N 1 1 394.563 4.620 50 0 GJAAMO CCc1ccc([C@@H]2C[C@@H](C(=O)N[C@H](C)CC)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000106605978 570966032 /nfs/dbraw/zinc/96/60/32/570966032.db2.gz CPWUWGFTQYFHQE-CTUHWIOQSA-N 1 1 378.560 4.769 50 0 GJAAMO C[C@@H]1CN(c2ccccc2C[N@H+]2CCCCC[C@H]2c2ccncc2)C[C@@H](C)O1 ZINC000252477747 570966224 /nfs/dbraw/zinc/96/62/24/570966224.db2.gz VAJSQJIBUOOABE-VIZSFHNOSA-N 1 1 379.548 4.813 50 0 GJAAMO COc1ccc(Br)cc1C[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000098081541 570991455 /nfs/dbraw/zinc/99/14/55/570991455.db2.gz WCTCPXLQBHKBSC-SFHVURJKSA-N 1 1 388.309 4.821 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2c1 ZINC000012768325 571020154 /nfs/dbraw/zinc/02/01/54/571020154.db2.gz CIDOGYBHEOKVBE-ZWKOTPCHSA-N 1 1 376.500 4.546 50 0 GJAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)cc1 ZINC000001447666 212144916 /nfs/dbraw/zinc/14/49/16/212144916.db2.gz UCZGDKZOAXORRK-IBGZPJMESA-N 1 1 388.446 4.818 50 0 GJAAMO S=C(NC1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019809854 212106772 /nfs/dbraw/zinc/10/67/72/212106772.db2.gz MQXIYTFCVNTBIT-UHFFFAOYSA-N 1 1 393.600 4.601 50 0 in-vitro GJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2F)c1 ZINC000013778261 207000116 /nfs/dbraw/zinc/00/01/16/207000116.db2.gz NSRJWEIWAMQCKX-AGILITTLSA-N 1 1 399.506 4.711 50 0 GJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000014949252 207032512 /nfs/dbraw/zinc/03/25/12/207032512.db2.gz UOFBUNYRQNPBFD-HNNXBMFYSA-N 1 1 391.389 4.529 50 0 GJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000014949252 207032517 /nfs/dbraw/zinc/03/25/17/207032517.db2.gz UOFBUNYRQNPBFD-HNNXBMFYSA-N 1 1 391.389 4.529 50 0 GJAAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3c(F)cccc3Cl)[N@@H+]3CCC[C@@]23C1=O ZINC000014959909 207034244 /nfs/dbraw/zinc/03/42/44/207034244.db2.gz ARNNNQVPBFTDGO-NYDSKATKSA-N 1 1 398.909 4.726 50 0 GJAAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3c(F)cccc3Cl)[N@H+]3CCC[C@@]23C1=O ZINC000014959909 207034249 /nfs/dbraw/zinc/03/42/49/207034249.db2.gz ARNNNQVPBFTDGO-NYDSKATKSA-N 1 1 398.909 4.726 50 0 GJAAMO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014965918 207035786 /nfs/dbraw/zinc/03/57/86/207035786.db2.gz WEQRKCIOHYFXPP-GOSISDBHSA-N 1 1 398.601 4.857 50 0 GJAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2sccc2C)C3)n1 ZINC000014978898 207037035 /nfs/dbraw/zinc/03/70/35/207037035.db2.gz ZWUOXMWMBXWAAQ-UHFFFAOYSA-N 1 1 396.512 4.530 50 0 GJAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2sccc2C)C3)n1 ZINC000014978898 207037040 /nfs/dbraw/zinc/03/70/40/207037040.db2.gz ZWUOXMWMBXWAAQ-UHFFFAOYSA-N 1 1 396.512 4.530 50 0 GJAAMO O=C(CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000015068577 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0 GJAAMO Clc1ccc(-c2nc3ccc(Cl)cn3c2C[NH+]2CCSCC2)cc1 ZINC000020366650 207189477 /nfs/dbraw/zinc/18/94/77/207189477.db2.gz NWZOMQXDQMJPGR-UHFFFAOYSA-N 1 1 378.328 4.857 50 0 GJAAMO CCNC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccn3)cc2)s1 ZINC000020541092 207203463 /nfs/dbraw/zinc/20/34/63/207203463.db2.gz XVWRMPCNCNFTAM-FQEVSTJZSA-N 1 1 391.540 4.897 50 0 GJAAMO C[N@H+](CCc1ccccc1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000020782789 207214323 /nfs/dbraw/zinc/21/43/23/207214323.db2.gz HVIBICKBYQDNBC-UHFFFAOYSA-N 1 1 383.495 4.924 50 0 GJAAMO C[N@@H+](CCc1ccccc1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000020782789 207214327 /nfs/dbraw/zinc/21/43/27/207214327.db2.gz HVIBICKBYQDNBC-UHFFFAOYSA-N 1 1 383.495 4.924 50 0 GJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000023310819 207273755 /nfs/dbraw/zinc/27/37/55/207273755.db2.gz KYJNJGHMBJRMEA-DEOSSOPVSA-N 1 1 388.486 4.682 50 0 GJAAMO O=C(Nc1ccccc1)N1CC[N@@H+](Cc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000038575635 207310711 /nfs/dbraw/zinc/31/07/11/207310711.db2.gz JKWFFNQBJCBXLX-XMMPIXPASA-N 1 1 385.511 4.648 50 0 GJAAMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000025679370 207305398 /nfs/dbraw/zinc/30/53/98/207305398.db2.gz QMZQLJYKLOIHBB-UHFFFAOYSA-N 1 1 387.527 4.819 50 0 GJAAMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000025679370 207305401 /nfs/dbraw/zinc/30/54/01/207305401.db2.gz QMZQLJYKLOIHBB-UHFFFAOYSA-N 1 1 387.527 4.819 50 0 GJAAMO Clc1ccccc1-c1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)s1 ZINC000027904491 207332050 /nfs/dbraw/zinc/33/20/50/207332050.db2.gz VVKLHQMSBZPWSK-UHFFFAOYSA-N 1 1 383.948 4.781 50 0 GJAAMO CO[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000072463632 208030871 /nfs/dbraw/zinc/03/08/71/208030871.db2.gz QEBCTIRPEKDBHQ-IBGZPJMESA-N 1 1 399.897 4.943 50 0 GJAAMO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cnc(C4CCCCC4)nc2)C3)cc1 ZINC000095385985 208174942 /nfs/dbraw/zinc/17/49/42/208174942.db2.gz GUOMBKXZHXMADB-XUZZJYLKSA-N 1 1 390.575 4.621 50 0 GJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000005274707 220854988 /nfs/dbraw/zinc/85/49/88/220854988.db2.gz OAUFRWZHHBEZHY-GOSISDBHSA-N 1 1 399.903 4.504 50 0 GJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000005274707 220854993 /nfs/dbraw/zinc/85/49/93/220854993.db2.gz OAUFRWZHHBEZHY-GOSISDBHSA-N 1 1 399.903 4.504 50 0 GJAAMO C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CCCc2ccccc21 ZINC000007674342 221005654 /nfs/dbraw/zinc/00/56/54/221005654.db2.gz HPXYNNCYQVDCGY-KRWDZBQOSA-N 1 1 391.496 4.754 50 0 GJAAMO C[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CCCc2ccccc21 ZINC000007674342 221005657 /nfs/dbraw/zinc/00/56/57/221005657.db2.gz HPXYNNCYQVDCGY-KRWDZBQOSA-N 1 1 391.496 4.754 50 0 GJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000008992109 221067807 /nfs/dbraw/zinc/06/78/07/221067807.db2.gz NDARNUNVWAZQCT-PBHICJAKSA-N 1 1 383.923 4.679 50 0 GJAAMO Cc1c([C@H](C)[NH2+]Cc2cccc3c2OCO3)cnn1-c1cccc2ccccc21 ZINC000012073893 221146860 /nfs/dbraw/zinc/14/68/60/221146860.db2.gz ASEPRTYQJJZOGK-INIZCTEOSA-N 1 1 385.467 4.913 50 0 GJAAMO C[C@H](CC[N@H+]1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1)c1ccccc1 ZINC000011913686 221136590 /nfs/dbraw/zinc/13/65/90/221136590.db2.gz UOKLAXQCSHMGJM-KBMIEXCESA-N 1 1 388.511 4.552 50 0 GJAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)c1 ZINC000012204305 221167570 /nfs/dbraw/zinc/16/75/70/221167570.db2.gz WTFDLVOXRSALKQ-NRFANRHFSA-N 1 1 393.449 4.531 50 0 GJAAMO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@H+](C(C)C)C4)nc12 ZINC000012246903 221173570 /nfs/dbraw/zinc/17/35/70/221173570.db2.gz AQANTGKFSDOUQJ-UHFFFAOYSA-N 1 1 392.499 4.830 50 0 GJAAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3nc(C(C)C)cs3)[N@H+]3CCC[C@@]23C1=O ZINC000012459658 221198436 /nfs/dbraw/zinc/19/84/36/221198436.db2.gz NSMOHSPTSIUGFI-LEDOBFOHSA-N 1 1 395.572 4.513 50 0 GJAAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3nc(C(C)C)cs3)[N@@H+]3CCC[C@@]23C1=O ZINC000012459658 221198438 /nfs/dbraw/zinc/19/84/38/221198438.db2.gz NSMOHSPTSIUGFI-LEDOBFOHSA-N 1 1 395.572 4.513 50 0 GJAAMO Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cc1 ZINC000012570461 221208509 /nfs/dbraw/zinc/20/85/09/221208509.db2.gz JTHMHMUSFBLUQE-FQEVSTJZSA-N 1 1 384.951 4.675 50 0 GJAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)cc1 ZINC000012571770 221209278 /nfs/dbraw/zinc/20/92/78/221209278.db2.gz SKFMRMJCANEJPI-JOCHJYFZSA-N 1 1 392.499 4.840 50 0 GJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)cc1 ZINC000012571770 221209280 /nfs/dbraw/zinc/20/92/80/221209280.db2.gz SKFMRMJCANEJPI-JOCHJYFZSA-N 1 1 392.499 4.840 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1 ZINC000012386205 221187841 /nfs/dbraw/zinc/18/78/41/221187841.db2.gz XPPNRGQFMOVHDO-FQEVSTJZSA-N 1 1 391.540 4.969 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3ccc(C)cc3C)ccc2c1 ZINC000012748859 221224734 /nfs/dbraw/zinc/22/47/34/221224734.db2.gz SHFVZDOZIBYVGZ-SFHVURJKSA-N 1 1 376.500 4.924 50 0 GJAAMO COC[C@@H]1CC[N@@H+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000012754474 221226078 /nfs/dbraw/zinc/22/60/78/221226078.db2.gz QFLJMYUNTAGNBR-HXUWFJFHSA-N 1 1 375.516 4.624 50 0 GJAAMO COC[C@H]1CC[N@@H+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000012754480 221226136 /nfs/dbraw/zinc/22/61/36/221226136.db2.gz QFLJMYUNTAGNBR-FQEVSTJZSA-N 1 1 375.516 4.624 50 0 GJAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccco1 ZINC000012778519 221230439 /nfs/dbraw/zinc/23/04/39/221230439.db2.gz WKMOXYHHOUOIPH-IBGZPJMESA-N 1 1 391.496 4.589 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000012820143 221237174 /nfs/dbraw/zinc/23/71/74/221237174.db2.gz STEPRARXALCIHD-INIZCTEOSA-N 1 1 389.499 4.523 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000012910057 221245322 /nfs/dbraw/zinc/24/53/22/221245322.db2.gz XDGXLKANHTYUGB-NRFANRHFSA-N 1 1 393.487 4.871 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000012910057 221245326 /nfs/dbraw/zinc/24/53/26/221245326.db2.gz XDGXLKANHTYUGB-NRFANRHFSA-N 1 1 393.487 4.871 50 0 GJAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc(OC)c1 ZINC000013594268 221275857 /nfs/dbraw/zinc/27/58/57/221275857.db2.gz LTONBXNBEKCFOE-QGZVFWFLSA-N 1 1 385.529 4.521 50 0 GJAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc(OC)c1 ZINC000013594268 221275859 /nfs/dbraw/zinc/27/58/59/221275859.db2.gz LTONBXNBEKCFOE-QGZVFWFLSA-N 1 1 385.529 4.521 50 0 GJAAMO Cc1ccsc1C[N@@H+]1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014965922 221321408 /nfs/dbraw/zinc/32/14/08/221321408.db2.gz WEQRKCIOHYFXPP-SFHVURJKSA-N 1 1 398.601 4.857 50 0 GJAAMO CC(C)[N@@H+](CCO)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000014972947 221322514 /nfs/dbraw/zinc/32/25/14/221322514.db2.gz CWIKYFDPBQOFMN-UHFFFAOYSA-N 1 1 389.499 4.547 50 0 GJAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc3ccccc32)oc1C ZINC000014980211 221323232 /nfs/dbraw/zinc/32/32/32/221323232.db2.gz ADHPFKVYEPEOQL-HXUWFJFHSA-N 1 1 391.515 4.684 50 0 GJAAMO CCn1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(C)n1 ZINC000014990832 221324478 /nfs/dbraw/zinc/32/44/78/221324478.db2.gz OSEJPZYMTUIEGG-QGZVFWFLSA-N 1 1 383.927 4.635 50 0 GJAAMO COc1cc(/C=C/C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)ccc1O ZINC000015063717 221327454 /nfs/dbraw/zinc/32/74/54/221327454.db2.gz RCKDPRJDQQCJBP-YWPBOTNQSA-N 1 1 385.891 4.662 50 0 GJAAMO Cc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+](C)C)o1 ZINC000015860349 221348835 /nfs/dbraw/zinc/34/88/35/221348835.db2.gz HAGQEQUVZPKEKR-AWEZNQCLSA-N 1 1 376.909 4.797 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000241774173 533323992 /nfs/dbraw/zinc/32/39/92/533323992.db2.gz RNROAESHRSCKDJ-PXNSSMCTSA-N 1 1 383.561 4.903 50 0 GJAAMO O=c1c2ccc(C(F)(F)F)cc2ncn1CC[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000032541451 221722732 /nfs/dbraw/zinc/72/27/32/221722732.db2.gz SPEAAJOVSQPPCT-KRWDZBQOSA-N 1 1 393.453 4.603 50 0 GJAAMO C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cc(F)ccc1F ZINC000057452027 222033137 /nfs/dbraw/zinc/03/31/37/222033137.db2.gz GZIVWNPYFBUNDP-BLVKFPJESA-N 1 1 390.430 4.872 50 0 GJAAMO CC[NH+]1CCN(C(=O)c2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)CC1 ZINC000058130811 222038922 /nfs/dbraw/zinc/03/89/22/222038922.db2.gz JELDVLGTDIEUIR-UHFFFAOYSA-N 1 1 399.947 4.750 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc(C)[nH+]1 ZINC000064800758 222081862 /nfs/dbraw/zinc/08/18/62/222081862.db2.gz GULXKBSJXTVIDA-UHFFFAOYSA-N 1 1 381.867 4.866 50 0 GJAAMO Cc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)cc1 ZINC000067756050 222158115 /nfs/dbraw/zinc/15/81/15/222158115.db2.gz AFOJVMKBHLTRSM-UHFFFAOYSA-N 1 1 380.875 4.811 50 0 GJAAMO Cc1ccc(C[N@H+]2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)cc1 ZINC000067756050 222158118 /nfs/dbraw/zinc/15/81/18/222158118.db2.gz AFOJVMKBHLTRSM-UHFFFAOYSA-N 1 1 380.875 4.811 50 0 GJAAMO OCc1ccc(-c2cc([C@H]3CC[N@@H+](Cc4cccc5[nH]ccc54)C3)ccn2)cc1 ZINC000067852435 222162916 /nfs/dbraw/zinc/16/29/16/222162916.db2.gz BRGKFEHDNRSTMN-NRFANRHFSA-N 1 1 383.495 4.712 50 0 GJAAMO CO[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000072463631 222262797 /nfs/dbraw/zinc/26/27/97/222262797.db2.gz QEBCTIRPEKDBHQ-LJQANCHMSA-N 1 1 399.897 4.943 50 0 GJAAMO COc1cccc(CCC[N@@H+](C)CC2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000089346106 222327652 /nfs/dbraw/zinc/32/76/52/222327652.db2.gz IPWIONBKKPZWAX-UHFFFAOYSA-N 1 1 395.547 4.504 50 0 GJAAMO CCCCO[C@@H](C)C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095986092 222367923 /nfs/dbraw/zinc/36/79/23/222367923.db2.gz KQBRXJUZBGILMS-UGKGYDQZSA-N 1 1 390.568 4.610 50 0 GJAAMO Cn1cc(CC[N@@H+](C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)cn1 ZINC000019792391 570219461 /nfs/dbraw/zinc/21/94/61/570219461.db2.gz GFSZMHMXMMNFLL-UHFFFAOYSA-N 1 1 391.563 4.543 50 0 GJAAMO CCOc1cc(CNCC[NH+](C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000020175721 570246084 /nfs/dbraw/zinc/24/60/84/570246084.db2.gz XIZOQTQNZXJKJK-UHFFFAOYSA-N 1 1 397.346 4.622 50 0 GJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2ccccc2OC)c(F)c1 ZINC000020515246 570264935 /nfs/dbraw/zinc/26/49/35/570264935.db2.gz QRQCJGLKYYSVLA-HXUWFJFHSA-N 1 1 381.451 4.570 50 0 GJAAMO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(Br)c1 ZINC000021720771 570294838 /nfs/dbraw/zinc/29/48/38/570294838.db2.gz BFLNQCVZNQTOQU-HNNXBMFYSA-N 1 1 379.298 4.654 50 0 GJAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(Br)c1 ZINC000021720771 570294840 /nfs/dbraw/zinc/29/48/40/570294840.db2.gz BFLNQCVZNQTOQU-HNNXBMFYSA-N 1 1 379.298 4.654 50 0 GJAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+]([C@@H]1CCSC1)CC2 ZINC000022023305 570302246 /nfs/dbraw/zinc/30/22/46/570302246.db2.gz ZAYLDBJBXASQCG-UTKZUKDTSA-N 1 1 389.948 4.810 50 0 GJAAMO CCc1ccc([C@@H]2C[C@H](C(=O)N[C@@H](C)CC)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034711306 570302917 /nfs/dbraw/zinc/30/29/17/570302917.db2.gz CPWUWGFTQYFHQE-IEXUWNMDSA-N 1 1 378.560 4.769 50 0 GJAAMO Cc1cccc([C@H]2C[C@H](C(=O)NCc3ccco3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711223 570303113 /nfs/dbraw/zinc/30/31/13/570303113.db2.gz KIVOUUAFIYSHDM-GOTSBHOMSA-N 1 1 388.511 4.510 50 0 GJAAMO CC(C)C[N@H+]1CCc2nc(N3CCC(C)CC3)nc(Oc3ccccc3F)c2C1 ZINC000034755708 570332624 /nfs/dbraw/zinc/33/26/24/570332624.db2.gz NQOPBHNFGMBTQR-UHFFFAOYSA-N 1 1 398.526 4.658 50 0 GJAAMO OCC1CCN([C@@H]2CCC[N@@H+](Cc3cccc4c5ccccc5sc43)C2)CC1 ZINC000022929056 570336021 /nfs/dbraw/zinc/33/60/21/570336021.db2.gz KUMMQKNFYDGUKT-HXUWFJFHSA-N 1 1 394.584 4.723 50 0 GJAAMO OCC1CC[NH+]([C@@H]2CCCN(Cc3cccc4c5ccccc5sc43)C2)CC1 ZINC000022929056 570336023 /nfs/dbraw/zinc/33/60/23/570336023.db2.gz KUMMQKNFYDGUKT-HXUWFJFHSA-N 1 1 394.584 4.723 50 0 GJAAMO COc1cccc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c[nH+]c3n2CCCC3)c1 ZINC000034920105 570345348 /nfs/dbraw/zinc/34/53/48/570345348.db2.gz HLBNAUNLSQLEFS-HXUWFJFHSA-N 1 1 393.462 4.528 50 0 GJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)C1 ZINC000004908752 570361601 /nfs/dbraw/zinc/36/16/01/570361601.db2.gz LYPQRJLDMKBPGX-GASCZTMLSA-N 1 1 399.922 4.732 50 0 GJAAMO Brc1ccc(OCc2ccccc2)c(C[NH2+]Cc2ccccn2)c1 ZINC000004622045 570388299 /nfs/dbraw/zinc/38/82/99/570388299.db2.gz CKZWAKFMBLJCHI-UHFFFAOYSA-N 1 1 383.289 4.713 50 0 GJAAMO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000028037913 570450174 /nfs/dbraw/zinc/45/01/74/570450174.db2.gz QTGLKCGLGDATIL-BQYQJAHWSA-N 1 1 394.462 4.515 50 0 GJAAMO OCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002715100 570509810 /nfs/dbraw/zinc/50/98/10/570509810.db2.gz SXNWTOVUVWJEET-UHFFFAOYSA-N 1 1 378.863 4.535 50 0 GJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2cc(C)ccc2C)[C@@H](C)C(C)C)n1 ZINC000036065557 570526336 /nfs/dbraw/zinc/52/63/36/570526336.db2.gz DIXRHJWBHTZFDS-MOPGFXCFSA-N 1 1 385.552 4.866 50 0 GJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2cc(C)ccc2C)[C@@H](C)C(C)C)n1 ZINC000036065557 570526338 /nfs/dbraw/zinc/52/63/38/570526338.db2.gz DIXRHJWBHTZFDS-MOPGFXCFSA-N 1 1 385.552 4.866 50 0 GJAAMO C[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000034801142 570544493 /nfs/dbraw/zinc/54/44/93/570544493.db2.gz VKSABQUVIAQQOB-XLIONFOSSA-N 1 1 379.525 4.774 50 0 GJAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000022907765 570564046 /nfs/dbraw/zinc/56/40/46/570564046.db2.gz ZXASLGHGYDFWRD-FQEVSTJZSA-N 1 1 396.943 4.931 50 0 GJAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000022907765 570564048 /nfs/dbraw/zinc/56/40/48/570564048.db2.gz ZXASLGHGYDFWRD-FQEVSTJZSA-N 1 1 396.943 4.931 50 0 GJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1CCCCC1 ZINC000011879062 570590467 /nfs/dbraw/zinc/59/04/67/570590467.db2.gz MHTPZNSLDRRDKM-LJQANCHMSA-N 1 1 376.972 4.633 50 0 GJAAMO C[C@@H](CC[N@H+]1CCOc2ccc([C@H](O)c3cccnc3)cc2C1)c1ccccc1 ZINC000039413066 570590744 /nfs/dbraw/zinc/59/07/44/570590744.db2.gz UOKLAXQCSHMGJM-DFBJGRDBSA-N 1 1 388.511 4.552 50 0 GJAAMO COc1cccc(OC)c1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000011911575 570592324 /nfs/dbraw/zinc/59/23/24/570592324.db2.gz MPMNBYAVIWRXLP-KRWDZBQOSA-N 1 1 395.478 4.613 50 0 GJAAMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000006786892 570592573 /nfs/dbraw/zinc/59/25/73/570592573.db2.gz XWDKMDPXMFCTRW-UHFFFAOYSA-N 1 1 395.915 4.708 50 0 GJAAMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000006786892 570592575 /nfs/dbraw/zinc/59/25/75/570592575.db2.gz XWDKMDPXMFCTRW-UHFFFAOYSA-N 1 1 395.915 4.708 50 0 GJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCCC[C@@H]1CO ZINC000011948545 570595414 /nfs/dbraw/zinc/59/54/14/570595414.db2.gz ZTFPGSSIUBRTAC-LJQANCHMSA-N 1 1 378.472 4.789 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1)NC1CC1 ZINC000012058181 570603514 /nfs/dbraw/zinc/60/35/14/570603514.db2.gz SIMXOCUIXKFXJJ-INIZCTEOSA-N 1 1 386.923 4.871 50 0 GJAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000012093692 570608129 /nfs/dbraw/zinc/60/81/29/570608129.db2.gz MTIXMOUMWMVFBQ-NRFANRHFSA-N 1 1 391.490 4.674 50 0 GJAAMO Cc1[nH]c2c(cccc2C)c1C[N@H+]1CCC[C@](CO)(Cc2ccccc2F)C1 ZINC000012192267 570622276 /nfs/dbraw/zinc/62/22/76/570622276.db2.gz MCUWRUALBFOZFG-DEOSSOPVSA-N 1 1 380.507 4.741 50 0 GJAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000036341278 570625416 /nfs/dbraw/zinc/62/54/16/570625416.db2.gz WSWSJVLCKQWZAA-AOMKIAJQSA-N 1 1 397.469 4.517 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036344976 570627650 /nfs/dbraw/zinc/62/76/50/570627650.db2.gz LHONQVYUMOTGNE-XMMPIXPASA-N 1 1 389.543 4.775 50 0 GJAAMO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C)c1 ZINC000036347435 570628775 /nfs/dbraw/zinc/62/87/75/570628775.db2.gz QSZTUXNBXRYSHO-XMMPIXPASA-N 1 1 376.500 4.809 50 0 GJAAMO COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(C)c2)c1 ZINC000036348393 570629712 /nfs/dbraw/zinc/62/97/12/570629712.db2.gz BUWRMNZAFSEUCS-XMMPIXPASA-N 1 1 376.500 4.809 50 0 GJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4cc(C(C)C)n[nH]4)C3)ccc2c1 ZINC000012300219 570635857 /nfs/dbraw/zinc/63/58/57/570635857.db2.gz XXMBUQGZVAKEEL-FQEVSTJZSA-N 1 1 391.515 4.790 50 0 GJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4cc(C(C)C)n[nH]4)C3)ccc2c1 ZINC000012300219 570635858 /nfs/dbraw/zinc/63/58/58/570635858.db2.gz XXMBUQGZVAKEEL-FQEVSTJZSA-N 1 1 391.515 4.790 50 0 GJAAMO CCc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000006877379 570668362 /nfs/dbraw/zinc/66/83/62/570668362.db2.gz VENZSOXKTDETQN-HXUWFJFHSA-N 1 1 377.532 4.551 50 0 GJAAMO Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000036392619 570676914 /nfs/dbraw/zinc/67/69/14/570676914.db2.gz IAPPMCMWDUMONP-UHFFFAOYSA-N 1 1 399.585 4.950 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(Br)c2)cc1OC ZINC000036396153 570679741 /nfs/dbraw/zinc/67/97/41/570679741.db2.gz MOIGCLVVXOISNC-KRWDZBQOSA-N 1 1 376.294 4.803 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Br)c2)cc1OC ZINC000036396153 570679744 /nfs/dbraw/zinc/67/97/44/570679744.db2.gz MOIGCLVVXOISNC-KRWDZBQOSA-N 1 1 376.294 4.803 50 0 GJAAMO O=c1c(Cl)c(Cl)cnn1C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000058161850 570713002 /nfs/dbraw/zinc/71/30/02/570713002.db2.gz NFVRSYZFXQHKKE-UHFFFAOYSA-N 1 1 386.710 4.610 50 0 GJAAMO COc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1Cl ZINC000058165446 570713529 /nfs/dbraw/zinc/71/35/29/570713529.db2.gz RLMQKDXUHVOHKL-UHFFFAOYSA-N 1 1 380.875 4.666 50 0 GJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)cc1 ZINC000012836126 570723414 /nfs/dbraw/zinc/72/34/14/570723414.db2.gz IDYWNODKAQVUCR-NRFANRHFSA-N 1 1 386.495 4.893 50 0 GJAAMO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cc(F)c(Cl)cc1Cl ZINC000013038727 570742620 /nfs/dbraw/zinc/74/26/20/570742620.db2.gz CLAPQDXKOALYEU-QMMMGPOBSA-N 1 1 377.193 4.700 50 0 GJAAMO Cc1cc(C)cc(-c2ccc(C(=O)NCCCn3cc[nH+]c3C(C)C)cn2)c1 ZINC000067804321 570791780 /nfs/dbraw/zinc/79/17/80/570791780.db2.gz YRAKSZIMHFGKNV-UHFFFAOYSA-N 1 1 376.504 4.505 50 0 GJAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc2cc(F)ccc2[nH]1 ZINC000032755173 570797822 /nfs/dbraw/zinc/79/78/22/570797822.db2.gz WKZDSWZFWPYCDU-HXUWFJFHSA-N 1 1 385.870 4.527 50 0 GJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000065322205 570800255 /nfs/dbraw/zinc/80/02/55/570800255.db2.gz RPIRTQJKECHNPO-UHFFFAOYSA-N 1 1 390.531 4.993 50 0 GJAAMO O=C(C[NH+]1CCCC1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000012487078 570821499 /nfs/dbraw/zinc/82/14/99/570821499.db2.gz IONAVPUHEDLFJM-UHFFFAOYSA-N 1 1 395.503 4.578 50 0 GJAAMO O=c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000007285894 570824784 /nfs/dbraw/zinc/82/47/84/570824784.db2.gz JIGRSGHUWHGBCZ-DOTOQJQBSA-N 1 1 379.529 4.664 50 0 GJAAMO O=c1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000007285894 570824792 /nfs/dbraw/zinc/82/47/92/570824792.db2.gz JIGRSGHUWHGBCZ-DOTOQJQBSA-N 1 1 379.529 4.664 50 0 GJAAMO CCc1nccc(C[N@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n1 ZINC000071419598 570833713 /nfs/dbraw/zinc/83/37/13/570833713.db2.gz PWSZXTQLZIZUDM-INIZCTEOSA-N 1 1 377.454 4.903 50 0 GJAAMO COc1ccc(-c2noc(C[N@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)n2)cc1 ZINC000012567907 570871607 /nfs/dbraw/zinc/87/16/07/570871607.db2.gz ILPLSZXXZPMYJX-OAQYLSRUSA-N 1 1 393.487 4.871 50 0 GJAAMO COc1ccc(-c2noc(C[N@@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)n2)cc1 ZINC000012567907 570871609 /nfs/dbraw/zinc/87/16/09/570871609.db2.gz ILPLSZXXZPMYJX-OAQYLSRUSA-N 1 1 393.487 4.871 50 0 GJAAMO CC(C)n1cc(CCCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613482 570871742 /nfs/dbraw/zinc/87/17/42/570871742.db2.gz GNZVPDSPCKPLRR-REWPJTCUSA-N 1 1 395.591 4.926 50 0 GJAAMO C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000170620453 570878188 /nfs/dbraw/zinc/87/81/88/570878188.db2.gz XHSQQVDCWWRHMF-CYBMUJFWSA-N 1 1 375.407 4.522 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000004556429 570882920 /nfs/dbraw/zinc/88/29/20/570882920.db2.gz CVCJOGBMGGUPHA-LJQANCHMSA-N 1 1 397.475 4.954 50 0 GJAAMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012598636 570885469 /nfs/dbraw/zinc/88/54/69/570885469.db2.gz LTOCOLQZXWTUBC-NSHGMRRFSA-N 1 1 397.588 4.657 50 0 GJAAMO C[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000097228481 570909104 /nfs/dbraw/zinc/90/91/04/570909104.db2.gz QSCAIQOAPUXSNC-INIZCTEOSA-N 1 1 391.540 4.664 50 0 GJAAMO CCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000012682242 570948683 /nfs/dbraw/zinc/94/86/83/570948683.db2.gz IRMZSXGXDKTPNZ-UHFFFAOYSA-N 1 1 391.515 4.666 50 0 GJAAMO CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000012682242 570948688 /nfs/dbraw/zinc/94/86/88/570948688.db2.gz IRMZSXGXDKTPNZ-UHFFFAOYSA-N 1 1 391.515 4.666 50 0 GJAAMO O=c1[nH]c(SCc2ccccc2Cl)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000033287239 570955163 /nfs/dbraw/zinc/95/51/63/570955163.db2.gz DSLVVXXECQDZBK-UHFFFAOYSA-N 1 1 397.931 4.686 50 0 GJAAMO O=c1[nH]c(SCc2ccccc2Cl)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000033287239 570955170 /nfs/dbraw/zinc/95/51/70/570955170.db2.gz DSLVVXXECQDZBK-UHFFFAOYSA-N 1 1 397.931 4.686 50 0 GJAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)o1 ZINC000252444088 570957237 /nfs/dbraw/zinc/95/72/37/570957237.db2.gz GHEZEQSOIUMALB-WMZOPIPTSA-N 1 1 378.476 4.712 50 0 GJAAMO CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000033318548 570973372 /nfs/dbraw/zinc/97/33/72/570973372.db2.gz QMKIWLSJSIADCF-UHFFFAOYSA-N 1 1 390.491 4.801 50 0 GJAAMO CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000033318548 570973376 /nfs/dbraw/zinc/97/33/76/570973376.db2.gz QMKIWLSJSIADCF-UHFFFAOYSA-N 1 1 390.491 4.801 50 0 GJAAMO C[N@H+]1CCC[C@@H]1CCSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000083877910 570975177 /nfs/dbraw/zinc/97/51/77/570975177.db2.gz UKUKVWGSIRFMIG-HXUWFJFHSA-N 1 1 396.535 4.709 50 0 GJAAMO CN1N=C2/C(=C\c3ccc(Cl)cc3)C[N@H+](C)C[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000252620582 571026738 /nfs/dbraw/zinc/02/67/38/571026738.db2.gz MHGDGQYNRJRIMN-ABWDTYCQSA-N 1 1 386.326 4.981 50 0 GJAAMO O=C(Nc1cccnc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccs1 ZINC000253414032 212135417 /nfs/dbraw/zinc/13/54/17/212135417.db2.gz WGYVHWWKCSTLPT-DOTOQJQBSA-N 1 1 387.574 4.752 50 0 biogenic GJAAMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666208 212112709 /nfs/dbraw/zinc/11/27/09/212112709.db2.gz YSNTZTBWXHMIIA-ZIAGYGMSSA-N 1 1 380.473 4.880 50 0 GJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](CCCC(F)(F)F)C2)c(C)c1 ZINC000014954181 207032386 /nfs/dbraw/zinc/03/23/86/207032386.db2.gz ONKGQKLGIOPTGG-MRXNPFEDSA-N 1 1 386.458 4.777 50 0 GJAAMO O=C(c1cc2ccccc2o1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000014976737 207036209 /nfs/dbraw/zinc/03/62/09/207036209.db2.gz KFLXYIMUGOJHOW-DEOSSOPVSA-N 1 1 392.474 4.700 50 0 GJAAMO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)ccc1F ZINC000015003284 207040114 /nfs/dbraw/zinc/04/01/14/207040114.db2.gz HAOOTSPRPSNEAH-QGZVFWFLSA-N 1 1 383.442 4.743 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OC(F)F)c(OC)c2)c(OC)c1 ZINC000015367162 207050693 /nfs/dbraw/zinc/05/06/93/207050693.db2.gz BBTFJYCVMITQNY-KRWDZBQOSA-N 1 1 393.430 4.651 50 0 GJAAMO CCCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000015669160 207053242 /nfs/dbraw/zinc/05/32/42/207053242.db2.gz WEJIIALXHDHBPL-UHFFFAOYSA-N 1 1 393.535 4.908 50 0 GJAAMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000019222732 207108169 /nfs/dbraw/zinc/10/81/69/207108169.db2.gz ITNBDHGXKRXJGV-OAHLLOKOSA-N 1 1 387.936 4.761 50 0 GJAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000019222732 207108174 /nfs/dbraw/zinc/10/81/74/207108174.db2.gz ITNBDHGXKRXJGV-OAHLLOKOSA-N 1 1 387.936 4.761 50 0 GJAAMO CCN(CC)CC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000019691215 207148673 /nfs/dbraw/zinc/14/86/73/207148673.db2.gz LLGGRPQBQDCQQO-UHFFFAOYSA-N 1 1 380.507 4.989 50 0 GJAAMO O=C(c1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019597041 207144449 /nfs/dbraw/zinc/14/44/49/207144449.db2.gz MTYBMAFFPUINEA-UHFFFAOYSA-N 1 1 390.914 4.887 50 0 GJAAMO CC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000019761531 207159729 /nfs/dbraw/zinc/15/97/29/207159729.db2.gz CQCFHVOTOYOTSZ-UHFFFAOYSA-N 1 1 384.479 4.700 50 0 GJAAMO O=C(CCCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019867903 207167574 /nfs/dbraw/zinc/16/75/74/207167574.db2.gz GWLXFMGMUXNVRN-UHFFFAOYSA-N 1 1 398.550 4.943 50 0 GJAAMO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020242064 207184062 /nfs/dbraw/zinc/18/40/62/207184062.db2.gz SDNWNLIXPOKKAI-NRFANRHFSA-N 1 1 398.550 4.996 50 0 GJAAMO C[N@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@H](O)c1ccccc1 ZINC000020536093 207200632 /nfs/dbraw/zinc/20/06/32/207200632.db2.gz CTMZIJYDQLYSAO-DEOSSOPVSA-N 1 1 383.495 4.909 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)NCc1ccccc1F ZINC000020540629 207203723 /nfs/dbraw/zinc/20/37/23/207203723.db2.gz NZHMMETXQXTWFM-VMLCMGRWSA-N 1 1 380.507 4.648 50 0 GJAAMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024432644 207290768 /nfs/dbraw/zinc/29/07/68/207290768.db2.gz IATKINLGQIDXND-IBGZPJMESA-N 1 1 380.419 4.589 50 0 GJAAMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024432644 207290772 /nfs/dbraw/zinc/29/07/72/207290772.db2.gz IATKINLGQIDXND-IBGZPJMESA-N 1 1 380.419 4.589 50 0 GJAAMO Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000032593453 207397057 /nfs/dbraw/zinc/39/70/57/207397057.db2.gz XTHUJIDPYXCETD-FQEVSTJZSA-N 1 1 385.891 4.684 50 0 GJAAMO Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000032593453 207397061 /nfs/dbraw/zinc/39/70/61/207397061.db2.gz XTHUJIDPYXCETD-FQEVSTJZSA-N 1 1 385.891 4.684 50 0 GJAAMO COc1ccc2cc(C[N@@H+]3CC[C@H](N(C)C)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072411592 208019305 /nfs/dbraw/zinc/01/93/05/208019305.db2.gz LCTOLHUJFOLQDW-FQEVSTJZSA-N 1 1 395.934 4.700 50 0 GJAAMO COc1ccc2cc(C[N@H+]3CC[C@H](N(C)C)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072411592 208019307 /nfs/dbraw/zinc/01/93/07/208019307.db2.gz LCTOLHUJFOLQDW-FQEVSTJZSA-N 1 1 395.934 4.700 50 0 GJAAMO COc1ccc2cc(C[N@H+]3CCC[C@H]3CO)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072424150 208021089 /nfs/dbraw/zinc/02/10/89/208021089.db2.gz VYODULNMRDNEGF-IBGZPJMESA-N 1 1 382.891 4.521 50 0 GJAAMO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@H+](CCc2ccncc2)C1 ZINC000085393497 208100490 /nfs/dbraw/zinc/10/04/90/208100490.db2.gz HUSMLCMZZKFSEH-UHFFFAOYSA-N 1 1 396.538 4.583 50 0 GJAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(C)cc23)c1 ZINC000007718535 221007535 /nfs/dbraw/zinc/00/75/35/221007535.db2.gz ASCKQDCDZYVHKV-OAQYLSRUSA-N 1 1 393.483 4.764 50 0 GJAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(C)cc23)c(OC)c1 ZINC000007740792 221009372 /nfs/dbraw/zinc/00/93/72/221009372.db2.gz NTLMGFMWYHPHCF-OAQYLSRUSA-N 1 1 393.483 4.764 50 0 GJAAMO COc1ccc(-c2nc3ccccc3c(NCCC[N@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000009527071 221084139 /nfs/dbraw/zinc/08/41/39/221084139.db2.gz YVPJZENJKSWETP-SFHVURJKSA-N 1 1 390.531 4.982 50 0 GJAAMO COc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3F)CC2)cc1 ZINC000011419925 221115550 /nfs/dbraw/zinc/11/55/50/221115550.db2.gz NNSCUNJMTAAAJM-KRWDZBQOSA-N 1 1 384.495 4.506 50 0 GJAAMO Cc1ccc(C)c(-n2cc(C[N@@H+](C)CCc3cn[nH]c3)c(-c3ccccc3)n2)c1 ZINC000012025590 221144120 /nfs/dbraw/zinc/14/41/20/221144120.db2.gz SBVYVSUDEFVVOO-UHFFFAOYSA-N 1 1 385.515 4.554 50 0 GJAAMO C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012314205 221178958 /nfs/dbraw/zinc/17/89/58/221178958.db2.gz NXBSZFVIWGGJMS-UHFFFAOYSA-N 1 1 383.499 4.976 50 0 GJAAMO C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012314205 221178960 /nfs/dbraw/zinc/17/89/60/221178960.db2.gz NXBSZFVIWGGJMS-UHFFFAOYSA-N 1 1 383.499 4.976 50 0 GJAAMO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccn4)C3)c2)c1 ZINC000012431556 221193229 /nfs/dbraw/zinc/19/32/29/221193229.db2.gz WPRVPLWIYMDIIC-QFIPXVFZSA-N 1 1 385.511 4.908 50 0 GJAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000012449132 221196629 /nfs/dbraw/zinc/19/66/29/221196629.db2.gz LNIQBTLRDWUHSH-QFIPXVFZSA-N 1 1 387.483 4.520 50 0 GJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2csc(C(C)C)n2)C1 ZINC000012575792 221209243 /nfs/dbraw/zinc/20/92/43/221209243.db2.gz BLYBWQZPHMMYQF-LJQANCHMSA-N 1 1 399.604 4.602 50 0 GJAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012585279 221210133 /nfs/dbraw/zinc/21/01/33/221210133.db2.gz VCCRFAZUYUPLNS-LKYAVPRHSA-N 1 1 385.935 4.679 50 0 GJAAMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012611994 221214813 /nfs/dbraw/zinc/21/48/13/221214813.db2.gz FAVIAMHFIKAJLU-OAQYLSRUSA-N 1 1 397.563 4.963 50 0 GJAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000012710077 221219272 /nfs/dbraw/zinc/21/92/72/221219272.db2.gz AULVGJITDZDFMO-SFHVURJKSA-N 1 1 385.577 4.898 50 0 GJAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000012710077 221219276 /nfs/dbraw/zinc/21/92/76/221219276.db2.gz AULVGJITDZDFMO-SFHVURJKSA-N 1 1 385.577 4.898 50 0 GJAAMO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000012709598 221219677 /nfs/dbraw/zinc/21/96/77/221219677.db2.gz WULJCXBMTQPPGK-FQEVSTJZSA-N 1 1 391.540 4.689 50 0 GJAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000012709598 221219679 /nfs/dbraw/zinc/21/96/79/221219679.db2.gz WULJCXBMTQPPGK-FQEVSTJZSA-N 1 1 391.540 4.689 50 0 GJAAMO COc1ccc(F)c(C[NH2+][C@H]2CCCc3c2cnn3-c2cccc(C)c2C)c1 ZINC000012708125 221220082 /nfs/dbraw/zinc/22/00/82/221220082.db2.gz MWXJLMRMJDTSOW-NRFANRHFSA-N 1 1 379.479 4.804 50 0 GJAAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000012803803 221233989 /nfs/dbraw/zinc/23/39/89/221233989.db2.gz FKOUDMPWCVFUNR-FQEVSTJZSA-N 1 1 379.456 4.543 50 0 GJAAMO Cc1cc(C)cc(OCC[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000012818170 221235907 /nfs/dbraw/zinc/23/59/07/221235907.db2.gz OQJVCEOCCATIQG-UHFFFAOYSA-N 1 1 395.330 4.950 50 0 GJAAMO COc1ccc2c(C)cc3nn(C[N@@H+]4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c2c1 ZINC000013097674 221259964 /nfs/dbraw/zinc/25/99/64/221259964.db2.gz VEAGFMGVFNJHKI-LPHOPBHVSA-N 1 1 396.560 4.948 50 0 GJAAMO COc1ccc2c(C)cc3nn(C[N@H+]4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c2c1 ZINC000013097674 221259966 /nfs/dbraw/zinc/25/99/66/221259966.db2.gz VEAGFMGVFNJHKI-LPHOPBHVSA-N 1 1 396.560 4.948 50 0 GJAAMO C[C@H](C(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013112876 221262069 /nfs/dbraw/zinc/26/20/69/221262069.db2.gz WFWCYMXIJRHOSZ-HUUCEWRRSA-N 1 1 383.492 4.642 50 0 GJAAMO C[C@H](C(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013112876 221262071 /nfs/dbraw/zinc/26/20/71/221262071.db2.gz WFWCYMXIJRHOSZ-HUUCEWRRSA-N 1 1 383.492 4.642 50 0 GJAAMO COc1ccc(C(=O)C2CC[NH+](Cc3ccccc3Br)CC2)cc1 ZINC000014325984 221308128 /nfs/dbraw/zinc/30/81/28/221308128.db2.gz QKHISVNIVWIBQF-UHFFFAOYSA-N 1 1 388.305 4.553 50 0 GJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000015062193 221328201 /nfs/dbraw/zinc/32/82/01/221328201.db2.gz LAMXZWNFHKLHNE-HSZRJFAPSA-N 1 1 387.483 4.867 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C1)N1CCCC1 ZINC000015075954 221331876 /nfs/dbraw/zinc/33/18/76/221331876.db2.gz XBMQUHXFGPMBFL-HXUWFJFHSA-N 1 1 384.564 4.623 50 0 GJAAMO Cc1ccc2nc3sc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)cc3cc2c1 ZINC000015784571 221345777 /nfs/dbraw/zinc/34/57/77/221345777.db2.gz LRJBDZYDWBWPEB-MRXNPFEDSA-N 1 1 381.545 4.610 50 0 GJAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017080911 221378276 /nfs/dbraw/zinc/37/82/76/221378276.db2.gz KLLRWYJHYWNKNY-UHFFFAOYSA-N 1 1 395.591 4.606 50 0 GJAAMO O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020533975 221498116 /nfs/dbraw/zinc/49/81/16/221498116.db2.gz DEGKUEPIBVSPID-UHFFFAOYSA-N 1 1 397.881 4.982 50 0 GJAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cc(-c2ccccc2)on1 ZINC000032593954 221724374 /nfs/dbraw/zinc/72/43/74/221724374.db2.gz FRSYHUKQCZXNDL-HXUWFJFHSA-N 1 1 395.890 4.562 50 0 GJAAMO Cc1ccc(C)c(-n2cc(C[N@@H+](C)Cc3ccncn3)c(-c3ccccc3)n2)c1 ZINC000055120346 222016687 /nfs/dbraw/zinc/01/66/87/222016687.db2.gz LQKCXFUHGSUWPB-UHFFFAOYSA-N 1 1 383.499 4.578 50 0 GJAAMO Cc1ccc(C)c(-n2cc(C[N@H+](C)Cc3ccncn3)c(-c3ccccc3)n2)c1 ZINC000055120346 222016692 /nfs/dbraw/zinc/01/66/92/222016692.db2.gz LQKCXFUHGSUWPB-UHFFFAOYSA-N 1 1 383.499 4.578 50 0 GJAAMO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)c1ccccc1 ZINC000058298065 222049673 /nfs/dbraw/zinc/04/96/73/222049673.db2.gz CUFHDYCETLCCHF-AWEZNQCLSA-N 1 1 381.303 4.642 50 0 GJAAMO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)c1ccccc1 ZINC000058298065 222049677 /nfs/dbraw/zinc/04/96/77/222049677.db2.gz CUFHDYCETLCCHF-AWEZNQCLSA-N 1 1 381.303 4.642 50 0 GJAAMO C[NH+](C)[C@@H](CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1)c1ccco1 ZINC000069348887 222173624 /nfs/dbraw/zinc/17/36/24/222173624.db2.gz HTELROWGYBLYSZ-SFHVURJKSA-N 1 1 385.414 4.649 50 0 GJAAMO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000072271184 222217912 /nfs/dbraw/zinc/21/79/12/222217912.db2.gz WMIRAZJIELDRKD-SFHVURJKSA-N 1 1 384.483 4.620 50 0 GJAAMO CCN(C(=O)Nc1ccc(CCSC)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095942660 222363106 /nfs/dbraw/zinc/36/31/06/222363106.db2.gz RHGKXEFKANMSRC-JOCHJYFZSA-N 1 1 397.588 4.720 50 0 GJAAMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(-c3ccc4ccccc4n3)cc2)C1 ZINC000426494470 529047259 /nfs/dbraw/zinc/04/72/59/529047259.db2.gz XNAYPPLLVOOZLE-IBGZPJMESA-N 1 1 387.527 4.706 50 0 GJAAMO C[NH+]1CCN(C(=O)Nc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC1 ZINC000002164510 570276747 /nfs/dbraw/zinc/27/67/47/570276747.db2.gz KEIWSTZWYCKZTA-UHFFFAOYSA-N 1 1 391.513 4.733 50 0 GJAAMO CCN(C(=O)Cn1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000021171077 570289047 /nfs/dbraw/zinc/28/90/47/570289047.db2.gz SRYVFOBXBLDZQK-IBGZPJMESA-N 1 1 390.531 4.636 50 0 GJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCc3ccc(O)cc3)c2c1C ZINC000012909767 570290561 /nfs/dbraw/zinc/29/05/61/570290561.db2.gz UGIOKXIAJUPKPB-UHFFFAOYSA-N 1 1 396.560 4.858 50 0 GJAAMO CC(=O)c1ccccc1OCC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012913570 570291842 /nfs/dbraw/zinc/29/18/42/570291842.db2.gz KWMYAWRLUJWTSM-QHCPKHFHSA-N 1 1 377.509 4.977 50 0 GJAAMO CC(=O)c1ccccc1OCC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012913570 570291844 /nfs/dbraw/zinc/29/18/44/570291844.db2.gz KWMYAWRLUJWTSM-QHCPKHFHSA-N 1 1 377.509 4.977 50 0 GJAAMO CC[N@H+]1CCc2ccc(OCC(=O)Nc3ccccc3)cc2[C@@H]1c1ccccc1 ZINC000034667409 570292586 /nfs/dbraw/zinc/29/25/86/570292586.db2.gz OCRIFFKJAWTRHU-VWLOTQADSA-N 1 1 386.495 4.672 50 0 GJAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cn1cnc3ccccc31)CC2 ZINC000023508615 570325387 /nfs/dbraw/zinc/32/53/87/570325387.db2.gz MITHCGYJFWXZPJ-VWLOTQADSA-N 1 1 399.494 4.659 50 0 GJAAMO Cc1ccc(C(=O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000022869412 570331971 /nfs/dbraw/zinc/33/19/71/570331971.db2.gz BMUAJFBEYQMHCK-UHFFFAOYSA-N 1 1 382.507 4.565 50 0 GJAAMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000022914321 570334640 /nfs/dbraw/zinc/33/46/40/570334640.db2.gz CUXKYTFOCYWFKB-IAGOWNOFSA-N 1 1 396.922 4.830 50 0 GJAAMO CC(=O)O[C@@H](COC(c1ccccc1)c1ccccc1)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000102196352 570348149 /nfs/dbraw/zinc/34/81/49/570348149.db2.gz FJYUFFBYTLIJHR-JXALWOEJSA-N 1 1 395.543 4.987 50 0 GJAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 ZINC000004977571 570421223 /nfs/dbraw/zinc/42/12/23/570421223.db2.gz DBEWWPHYNOKFKC-KRWDZBQOSA-N 1 1 375.553 4.762 50 0 GJAAMO CCCCCCOc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000004980510 570421276 /nfs/dbraw/zinc/42/12/76/570421276.db2.gz YRSMTFLVRYNVPP-UHFFFAOYSA-N 1 1 382.548 4.977 50 0 GJAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000006455338 570426051 /nfs/dbraw/zinc/42/60/51/570426051.db2.gz GXXOWKVSFUEDIJ-BJSKQTLOSA-N 1 1 397.603 4.872 50 0 GJAAMO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245238199 570434556 /nfs/dbraw/zinc/43/45/56/570434556.db2.gz GAUGLBVEJRYEEX-WIYYLYMNSA-N 1 1 378.516 4.552 50 0 GJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000248121085 570440754 /nfs/dbraw/zinc/44/07/54/570440754.db2.gz VBYFJVGKRCTMDW-CAOCKLPOSA-N 1 1 395.543 4.881 50 0 GJAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000006641811 570513723 /nfs/dbraw/zinc/51/37/23/570513723.db2.gz XOZQFEQVRDICDF-ZKENHABCSA-N 1 1 393.527 4.782 50 0 biogenic GJAAMO COc1ccc(C[N@H+](Cc2cccc(C)c2)C[C@H](O)Cc2ccccc2)cc1 ZINC000036095322 570534373 /nfs/dbraw/zinc/53/43/73/570534373.db2.gz CEHGEBGQRXPHGF-XMMPIXPASA-N 1 1 375.512 4.609 50 0 GJAAMO CC(C)CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095553 570535058 /nfs/dbraw/zinc/53/50/58/570535058.db2.gz ICSHWENBMUIFEG-FQEVSTJZSA-N 1 1 379.903 4.767 50 0 GJAAMO COc1ccccc1C[N@@H+](CCC(C)C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036096228 570537182 /nfs/dbraw/zinc/53/71/82/570537182.db2.gz VRGBSBYIYOOAHA-HXUWFJFHSA-N 1 1 391.939 4.637 50 0 GJAAMO Cc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CCCCC2)OCO4)cc1C ZINC000036102769 570539420 /nfs/dbraw/zinc/53/94/20/570539420.db2.gz BUGLLVXSNVALPH-UHFFFAOYSA-N 1 1 388.467 4.802 50 0 GJAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104079 570540685 /nfs/dbraw/zinc/54/06/85/570540685.db2.gz HVOBKDAERDGKGZ-QHCPKHFHSA-N 1 1 397.465 4.545 50 0 GJAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104079 570540687 /nfs/dbraw/zinc/54/06/87/570540687.db2.gz HVOBKDAERDGKGZ-QHCPKHFHSA-N 1 1 397.465 4.545 50 0 GJAAMO COc1ccc(OC)c(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000035511279 570553921 /nfs/dbraw/zinc/55/39/21/570553921.db2.gz YUBKBXSOYSMKJD-IBGZPJMESA-N 1 1 396.491 4.542 50 0 GJAAMO COc1ccc(OC)c(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000035511279 570553924 /nfs/dbraw/zinc/55/39/24/570553924.db2.gz YUBKBXSOYSMKJD-IBGZPJMESA-N 1 1 396.491 4.542 50 0 GJAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCC[C@@H]3c3ccccn3)ccc2c1 ZINC000011816748 570584343 /nfs/dbraw/zinc/58/43/43/570584343.db2.gz FZXUFTFRARPTKE-HSZRJFAPSA-N 1 1 384.483 4.971 50 0 GJAAMO Fc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1Br ZINC000039769824 570593837 /nfs/dbraw/zinc/59/38/37/570593837.db2.gz VXCVNBYMELAWRG-UXHICEINSA-N 1 1 395.360 4.817 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000169679695 570601018 /nfs/dbraw/zinc/60/10/18/570601018.db2.gz JAAWZMSWAFQEBL-WZONZLPQSA-N 1 1 393.506 4.686 50 0 GJAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)c1OC ZINC000036347259 570629287 /nfs/dbraw/zinc/62/92/87/570629287.db2.gz WFFJJSSUNIXWMM-QHCPKHFHSA-N 1 1 376.500 4.809 50 0 GJAAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1OC ZINC000036347621 570629668 /nfs/dbraw/zinc/62/96/68/570629668.db2.gz RGLPOYZDSJQIDC-JOCHJYFZSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1OC ZINC000036347621 570629670 /nfs/dbraw/zinc/62/96/70/570629670.db2.gz RGLPOYZDSJQIDC-JOCHJYFZSA-N 1 1 380.463 4.640 50 0 GJAAMO Cn1cc(C[N@@H+](C)CCc2cn[nH]c2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012315206 570640777 /nfs/dbraw/zinc/64/07/77/570640777.db2.gz YWDWXDLPGWJZOQ-UHFFFAOYSA-N 1 1 377.536 4.532 50 0 GJAAMO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000006840791 570642409 /nfs/dbraw/zinc/64/24/09/570642409.db2.gz GJLVOEHTUGBGIV-OAHLLOKOSA-N 1 1 395.528 4.512 50 0 GJAAMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012438915 570662947 /nfs/dbraw/zinc/66/29/47/570662947.db2.gz DQFUZMYTDYOVQB-LJQANCHMSA-N 1 1 397.954 4.679 50 0 GJAAMO Cc1cccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)c1C ZINC000006877307 570666068 /nfs/dbraw/zinc/66/60/68/570666068.db2.gz QXTFSEOQJGUNGR-UHFFFAOYSA-N 1 1 377.532 4.606 50 0 GJAAMO Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877401 570668311 /nfs/dbraw/zinc/66/83/11/570668311.db2.gz NKJPGMZKWZHFBC-GOSISDBHSA-N 1 1 397.950 4.951 50 0 GJAAMO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)c1 ZINC000012581506 570684085 /nfs/dbraw/zinc/68/40/85/570684085.db2.gz URQARMKEOXBUIM-INIZCTEOSA-N 1 1 385.529 4.521 50 0 GJAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)c1 ZINC000012581506 570684088 /nfs/dbraw/zinc/68/40/88/570684088.db2.gz URQARMKEOXBUIM-INIZCTEOSA-N 1 1 385.529 4.521 50 0 GJAAMO Cc1ccsc1C[N@H+]1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000055153252 570685114 /nfs/dbraw/zinc/68/51/14/570685114.db2.gz QPCCJETUSPUCGK-OAQYLSRUSA-N 1 1 379.525 4.727 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc(OC)cc3)c(C)o2)cc1 ZINC000012592475 570687619 /nfs/dbraw/zinc/68/76/19/570687619.db2.gz WGWGCPTVZKIVKB-HNNXBMFYSA-N 1 1 394.471 4.638 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc(OC)cc3)c(C)o2)cc1 ZINC000012592475 570687620 /nfs/dbraw/zinc/68/76/20/570687620.db2.gz WGWGCPTVZKIVKB-HNNXBMFYSA-N 1 1 394.471 4.638 50 0 GJAAMO COCc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)ccc1OC ZINC000012718689 570705918 /nfs/dbraw/zinc/70/59/18/570705918.db2.gz XDKSISNSWMGLSK-SFHVURJKSA-N 1 1 387.907 4.590 50 0 GJAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C1 ZINC000012993740 570738998 /nfs/dbraw/zinc/73/89/98/570738998.db2.gz OFRZDRWCBQOBAF-VXGBXAGGSA-N 1 1 381.904 4.666 50 0 GJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2cccc(F)c2)c(OC)c1 ZINC000013786349 570790338 /nfs/dbraw/zinc/79/03/38/570790338.db2.gz FAACTDGNFHHGQS-QPTUXGOLSA-N 1 1 399.506 4.711 50 0 GJAAMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000007453500 570844792 /nfs/dbraw/zinc/84/47/92/570844792.db2.gz UKYXOPBWXOPHSC-QGZVFWFLSA-N 1 1 384.520 4.595 50 0 GJAAMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000007453500 570844795 /nfs/dbraw/zinc/84/47/95/570844795.db2.gz UKYXOPBWXOPHSC-QGZVFWFLSA-N 1 1 384.520 4.595 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004556146 570882524 /nfs/dbraw/zinc/88/25/24/570882524.db2.gz POXBJGKJDGULBQ-OAHLLOKOSA-N 1 1 382.316 4.862 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCc2cccc3[nH]ccc32)c1 ZINC000299759829 570892240 /nfs/dbraw/zinc/89/22/40/570892240.db2.gz NQELYHQRXJOTNP-QGZVFWFLSA-N 1 1 376.504 4.864 50 0 GJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2cc(C)ccc2C)[C@H](C)C(C)C)n1 ZINC000104961989 570910830 /nfs/dbraw/zinc/91/08/30/570910830.db2.gz DIXRHJWBHTZFDS-RTBURBONSA-N 1 1 385.552 4.866 50 0 GJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2cc(C)ccc2C)[C@H](C)C(C)C)n1 ZINC000104961989 570910832 /nfs/dbraw/zinc/91/08/32/570910832.db2.gz DIXRHJWBHTZFDS-RTBURBONSA-N 1 1 385.552 4.866 50 0 GJAAMO Cc1ccccc1C[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)C(C)C ZINC000004587546 570922387 /nfs/dbraw/zinc/92/23/87/570922387.db2.gz ZUQUWUCWIMPCTA-QFIPXVFZSA-N 1 1 386.536 4.619 50 0 GJAAMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000105609459 570930700 /nfs/dbraw/zinc/93/07/00/570930700.db2.gz DIQDPEGWMNLOHF-OAHLLOKOSA-N 1 1 395.528 4.756 50 0 GJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000072284962 570996726 /nfs/dbraw/zinc/99/67/26/570996726.db2.gz HRYZQZNFKTYSSX-YKSBVNFPSA-N 1 1 392.547 4.638 50 0 GJAAMO COc1ccc(C[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000007661862 571013799 /nfs/dbraw/zinc/01/37/99/571013799.db2.gz VUCRXYZQJJNOSR-UHFFFAOYSA-N 1 1 379.287 4.605 50 0 GJAAMO COc1ccc(C[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000007661862 571013801 /nfs/dbraw/zinc/01/38/01/571013801.db2.gz VUCRXYZQJJNOSR-UHFFFAOYSA-N 1 1 379.287 4.605 50 0 GJAAMO Cc1ccc(-c2cccc(C[N@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)c2)o1 ZINC000095364373 571057452 /nfs/dbraw/zinc/05/74/52/571057452.db2.gz XVMINHRAIJJUGI-XUZZJYLKSA-N 1 1 387.527 4.746 50 0 GJAAMO Cc1ccc(-c2cccc(CN3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccccn3)C4)c2)o1 ZINC000095364373 571057454 /nfs/dbraw/zinc/05/74/54/571057454.db2.gz XVMINHRAIJJUGI-XUZZJYLKSA-N 1 1 387.527 4.746 50 0 GJAAMO Cc1ccc(-c2cccc(CN3C[C@H]4CC[C@@H]3C[N@@H+](Cc3ccccn3)C4)c2)o1 ZINC000095364373 571057457 /nfs/dbraw/zinc/05/74/57/571057457.db2.gz XVMINHRAIJJUGI-XUZZJYLKSA-N 1 1 387.527 4.746 50 0 GJAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2Cl)o1 ZINC000001242768 212232596 /nfs/dbraw/zinc/23/25/96/212232596.db2.gz KJVYLKLFUDZPSV-INIZCTEOSA-N 1 1 384.892 4.739 50 0 GJAAMO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)[C@@]1(O)Cc1ccccc1 ZINC000239248060 206279970 /nfs/dbraw/zinc/27/99/70/206279970.db2.gz XYXSWNLJRUZOJN-YWBOCLLSSA-N 1 1 385.551 5.660 50 0 GJAAMO CCc1nc2c3ccccc3oc2c(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000001235342 206369506 /nfs/dbraw/zinc/36/95/06/206369506.db2.gz FEWKMDRZCHTMIM-DHZHZOJOSA-N 1 1 398.510 4.774 50 0 GJAAMO Cc1ccc(C)c(CSc2nnc([C@@H]([NH3+])Cc3c[nH]c4ccccc34)o2)c1 ZINC000001237516 206369989 /nfs/dbraw/zinc/36/99/89/206369989.db2.gz UMWQJERSJYEYIM-SFHVURJKSA-N 1 1 378.501 4.703 50 0 GJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CCOc4ccccc43)c2c1C ZINC000012601476 206918803 /nfs/dbraw/zinc/91/88/03/206918803.db2.gz WTHAVTRZAMOJOU-KRWDZBQOSA-N 1 1 394.544 4.840 50 0 GJAAMO CCCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000013320567 206972890 /nfs/dbraw/zinc/97/28/90/206972890.db2.gz RGWGJVOXIXSJLX-UHFFFAOYSA-N 1 1 380.532 4.557 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](CC=C(C)C)C2)cc1 ZINC000015080615 207045666 /nfs/dbraw/zinc/04/56/66/207045666.db2.gz UZGIRCKOGMWGPF-HXUWFJFHSA-N 1 1 378.516 4.979 50 0 GJAAMO O=C(/C=C/c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020149350 207180376 /nfs/dbraw/zinc/18/03/76/207180376.db2.gz NAHRDNCUKYEBBI-BUHFOSPRSA-N 1 1 388.536 4.695 50 0 GJAAMO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)CC2)c1 ZINC000020907918 207219766 /nfs/dbraw/zinc/21/97/66/207219766.db2.gz ANPZQPDFQSWOBU-XMMPIXPASA-N 1 1 397.994 4.559 50 0 GJAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)cc1 ZINC000020905924 207219937 /nfs/dbraw/zinc/21/99/37/207219937.db2.gz NGLBSWQDFOVDGS-NRFANRHFSA-N 1 1 397.526 4.950 50 0 GJAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794146 207238743 /nfs/dbraw/zinc/23/87/43/207238743.db2.gz IBFAULGJBSFLAY-UHFFFAOYSA-N 1 1 387.487 4.690 50 0 GJAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021794146 207238745 /nfs/dbraw/zinc/23/87/45/207238745.db2.gz IBFAULGJBSFLAY-UHFFFAOYSA-N 1 1 387.487 4.690 50 0 GJAAMO CCc1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)[nH]1 ZINC000012300762 207285873 /nfs/dbraw/zinc/28/58/73/207285873.db2.gz UUOLLMFJTAWQPY-LJQANCHMSA-N 1 1 387.527 4.627 50 0 GJAAMO CC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(F)c1 ZINC000025637393 207306187 /nfs/dbraw/zinc/30/61/87/207306187.db2.gz RNJIPFSILZHZJW-UHFFFAOYSA-N 1 1 388.486 4.940 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)cc(C)[nH+]1 ZINC000082230638 208084818 /nfs/dbraw/zinc/08/48/18/208084818.db2.gz IQCONMMUOIQIEV-UHFFFAOYSA-N 1 1 392.463 4.613 50 0 GJAAMO Cn1c(CNc2ccccc2C[N@@H+](C)C2CCCCC2)nnc1-c1ccccc1 ZINC000089741455 208110156 /nfs/dbraw/zinc/11/01/56/208110156.db2.gz ZCYAUIBVKIEOBK-UHFFFAOYSA-N 1 1 389.547 4.859 50 0 GJAAMO Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000002262572 220515990 /nfs/dbraw/zinc/51/59/90/220515990.db2.gz YMQXEQVZSOELPN-DHIUTWEWSA-N 1 1 396.425 4.630 50 0 GJAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000005074596 220825682 /nfs/dbraw/zinc/82/56/82/220825682.db2.gz MNZAZSHKRHQWET-JOCHJYFZSA-N 1 1 386.536 4.558 50 0 GJAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007684270 221005784 /nfs/dbraw/zinc/00/57/84/221005784.db2.gz PQGBIFMTTCGWLW-IIBYNOLFSA-N 1 1 390.483 4.738 50 0 GJAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007684270 221005789 /nfs/dbraw/zinc/00/57/89/221005789.db2.gz PQGBIFMTTCGWLW-IIBYNOLFSA-N 1 1 390.483 4.738 50 0 GJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000008992108 221067853 /nfs/dbraw/zinc/06/78/53/221067853.db2.gz NDARNUNVWAZQCT-YOEHRIQHSA-N 1 1 383.923 4.679 50 0 GJAAMO Cc1ccc(-c2ccsc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000010220131 221099065 /nfs/dbraw/zinc/09/90/65/221099065.db2.gz DIJLVRSWDWXQKF-IBGZPJMESA-N 1 1 380.513 4.883 50 0 GJAAMO Cc1ccoc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000011844166 221132859 /nfs/dbraw/zinc/13/28/59/221132859.db2.gz YPYXDFZIZODHKB-XMMPIXPASA-N 1 1 380.532 4.840 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)NCc1ccccc1Cl ZINC000011716369 221123526 /nfs/dbraw/zinc/12/35/26/221123526.db2.gz CQXNNEQYAVAUGX-SFHVURJKSA-N 1 1 396.962 4.616 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1)N1CCCC1 ZINC000012093429 221151015 /nfs/dbraw/zinc/15/10/15/221151015.db2.gz IMOFDIVMWPVBED-HXUWFJFHSA-N 1 1 384.564 4.623 50 0 GJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](C4CCN(C(C)C)CC4)C3)ccc2c1 ZINC000012303125 221177247 /nfs/dbraw/zinc/17/72/47/221177247.db2.gz KDONTFYQNFSTAT-JOCHJYFZSA-N 1 1 394.559 4.616 50 0 GJAAMO COc1ccc2cc(C(=O)[C@@H]3CCCN(C4CC[NH+](C(C)C)CC4)C3)ccc2c1 ZINC000012303125 221177249 /nfs/dbraw/zinc/17/72/49/221177249.db2.gz KDONTFYQNFSTAT-JOCHJYFZSA-N 1 1 394.559 4.616 50 0 GJAAMO OCCn1c(C[NH2+][C@H](c2cccs2)c2ccccc2)nc2ccc(Cl)cc21 ZINC000012601229 221213119 /nfs/dbraw/zinc/21/31/19/221213119.db2.gz LONFOTZLYJYAQP-NRFANRHFSA-N 1 1 397.931 4.623 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000012902212 221243687 /nfs/dbraw/zinc/24/36/87/221243687.db2.gz ZIXBKPQLKIAYNQ-IRXDYDNUSA-N 1 1 394.490 4.685 50 0 GJAAMO COC[C@@H]1CCC[N@@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012837011 221237921 /nfs/dbraw/zinc/23/79/21/221237921.db2.gz CHPSXJUYWBSKJZ-LJQANCHMSA-N 1 1 393.506 4.845 50 0 GJAAMO C[NH+](C)[C@@H](CNc1ncnc2sc3c(c21)CCCC3)c1ccccc1Cl ZINC000013040205 221258761 /nfs/dbraw/zinc/25/87/61/221258761.db2.gz FIKOHCAFETUTCP-INIZCTEOSA-N 1 1 386.952 4.938 50 0 GJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(F)c(Cl)cc1Cl ZINC000014198949 221304111 /nfs/dbraw/zinc/30/41/11/221304111.db2.gz VJTKOTPGFDLTCH-INIZCTEOSA-N 1 1 385.266 4.683 50 0 GJAAMO CCc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014953222 221320036 /nfs/dbraw/zinc/32/00/36/221320036.db2.gz CIARKAXWHQBTHJ-VWLOTQADSA-N 1 1 392.591 4.651 50 0 GJAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000015669136 221337288 /nfs/dbraw/zinc/33/72/88/221337288.db2.gz RMWYRJPKOZBPRP-UHFFFAOYSA-N 1 1 387.487 4.560 50 0 GJAAMO CCCC[N@@H+](C)C1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000014982632 221324670 /nfs/dbraw/zinc/32/46/70/221324670.db2.gz CVBMRNVJPGJCLV-HXUWFJFHSA-N 1 1 393.575 4.878 50 0 GJAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)s1 ZINC000015067971 221329416 /nfs/dbraw/zinc/32/94/16/221329416.db2.gz KJXGGYSDKSPOIX-GOSISDBHSA-N 1 1 398.601 4.857 50 0 GJAAMO Cc1ccc2nc3sc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)cc3cc2c1 ZINC000015784573 221345813 /nfs/dbraw/zinc/34/58/13/221345813.db2.gz LRJBDZYDWBWPEB-INIZCTEOSA-N 1 1 381.545 4.610 50 0 GJAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C[C@H](C)O1 ZINC000016712756 221369062 /nfs/dbraw/zinc/36/90/62/221369062.db2.gz ROEFXBGBQFYOFH-HDICACEKSA-N 1 1 384.483 4.701 50 0 GJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104101 221842350 /nfs/dbraw/zinc/84/23/50/221842350.db2.gz RUOVADTYGGUNNG-JOCHJYFZSA-N 1 1 397.465 4.715 50 0 GJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104101 221842354 /nfs/dbraw/zinc/84/23/54/221842354.db2.gz RUOVADTYGGUNNG-JOCHJYFZSA-N 1 1 397.465 4.715 50 0 GJAAMO Cc1ccc([C@H]2[C@H](C(=O)c3ccccc3)[C@H](C(=O)c3ccccc3)C[N@@H+]2C)cc1 ZINC000052530360 222006469 /nfs/dbraw/zinc/00/64/69/222006469.db2.gz AOCPPFBBSZTNPG-SMIHKQSGSA-N 1 1 383.491 4.980 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)cc(C)[nH+]1 ZINC000064801237 222081662 /nfs/dbraw/zinc/08/16/62/222081662.db2.gz UHDIOQLVQLPNOT-UHFFFAOYSA-N 1 1 380.427 4.744 50 0 GJAAMO Cc1nc(-c2c(-c3ccccc3)ncn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000065492472 222131096 /nfs/dbraw/zinc/13/10/96/222131096.db2.gz KRJGUMLTWODHJJ-NRFANRHFSA-N 1 1 383.499 4.696 50 0 GJAAMO C[NH+](C)[C@H](CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1)c1ccco1 ZINC000069348888 222173339 /nfs/dbraw/zinc/17/33/39/222173339.db2.gz HTELROWGYBLYSZ-GOSISDBHSA-N 1 1 385.414 4.649 50 0 GJAAMO O=C(O/C(c1ccccc1)=C1/CCCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000019897752 570228240 /nfs/dbraw/zinc/22/82/40/570228240.db2.gz FTUJSFRVSGWROP-RKKARLDVSA-N 1 1 377.484 4.530 50 0 GJAAMO Cc1cc(C)cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019920494 570229551 /nfs/dbraw/zinc/22/95/51/570229551.db2.gz OUGJLTLLSHIGLJ-UHFFFAOYSA-N 1 1 384.523 4.851 50 0 GJAAMO C[C@H](C(=O)Nc1ccc2c(c1)CCC2)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000012820137 570233283 /nfs/dbraw/zinc/23/32/83/570233283.db2.gz STEPRARXALCIHD-MRXNPFEDSA-N 1 1 389.499 4.523 50 0 GJAAMO O=C(Nc1ccc(F)cc1F)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019973438 570234204 /nfs/dbraw/zinc/23/42/04/570234204.db2.gz HXXCBPMIZZMIDY-UHFFFAOYSA-N 1 1 378.422 4.775 50 0 GJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000023309802 570237014 /nfs/dbraw/zinc/23/70/14/570237014.db2.gz XJGPXXBRHYJUOJ-XMMPIXPASA-N 1 1 388.486 4.682 50 0 GJAAMO Cc1cccc(-n2cc(C[N@H+](C)Cc3ccno3)c(-c3cccc(F)c3)n2)c1 ZINC000020201326 570247363 /nfs/dbraw/zinc/24/73/63/570247363.db2.gz OSIHMIMUZQQURG-UHFFFAOYSA-N 1 1 376.435 4.607 50 0 GJAAMO Cc1cccc(-n2cc(C[N@@H+](C)Cc3ccno3)c(-c3cccc(F)c3)n2)c1 ZINC000020201326 570247366 /nfs/dbraw/zinc/24/73/66/570247366.db2.gz OSIHMIMUZQQURG-UHFFFAOYSA-N 1 1 376.435 4.607 50 0 GJAAMO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)c1 ZINC000020601044 570270013 /nfs/dbraw/zinc/27/00/13/570270013.db2.gz JCQYJVFHGAYNMY-IBGZPJMESA-N 1 1 392.524 4.914 50 0 GJAAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)c1 ZINC000020601044 570270016 /nfs/dbraw/zinc/27/00/16/570270016.db2.gz JCQYJVFHGAYNMY-IBGZPJMESA-N 1 1 392.524 4.914 50 0 GJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cncc(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000034670333 570293480 /nfs/dbraw/zinc/29/34/80/570293480.db2.gz YUQRUPAUJDCAHZ-MRXNPFEDSA-N 1 1 393.314 4.831 50 0 GJAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccccc2)on1 ZINC000021805495 570296670 /nfs/dbraw/zinc/29/66/70/570296670.db2.gz YJYQJOCNLJNIIP-HXUWFJFHSA-N 1 1 395.890 4.562 50 0 GJAAMO FC(F)(F)c1cc(/C=C/c2noc(C[NH+]3CCCC3)n2)cc(C(F)(F)F)c1 ZINC000004322721 570367736 /nfs/dbraw/zinc/36/77/36/570367736.db2.gz RMVGFADCNWCYGC-ONEGZZNKSA-N 1 1 391.315 4.873 50 0 GJAAMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961626 570382987 /nfs/dbraw/zinc/38/29/87/570382987.db2.gz QTZUYKYZVFZAFN-UHFFFAOYSA-N 1 1 389.952 4.873 50 0 GJAAMO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012982207 570406930 /nfs/dbraw/zinc/40/69/30/570406930.db2.gz SSGJFHLYPPBOOR-YJBOKZPZSA-N 1 1 392.952 4.757 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000006438665 570418093 /nfs/dbraw/zinc/41/80/93/570418093.db2.gz QTBJJNCXYOERND-IBGZPJMESA-N 1 1 397.475 4.954 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000248322546 570453399 /nfs/dbraw/zinc/45/33/99/570453399.db2.gz WOFJVSWVXNJSSG-CNDZOEFASA-N 1 1 389.923 4.624 50 0 GJAAMO CC[NH+](CC)c1ccc(Nc2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)c(C)c1 ZINC000006901751 570498666 /nfs/dbraw/zinc/49/86/66/570498666.db2.gz QBJIVKPMBZSZHU-UHFFFAOYSA-N 1 1 376.500 4.773 50 0 GJAAMO COc1ccccc1[C@H](CNC(=S)Nc1ccc(Cl)cc1Cl)[NH+](C)C ZINC000006650782 570519630 /nfs/dbraw/zinc/51/96/30/570519630.db2.gz MELBTYIIJRBKQW-INIZCTEOSA-N 1 1 398.359 4.591 50 0 GJAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)N3CCCCC3)co2)[C@H](C)C(C)C)cc1 ZINC000036063927 570526305 /nfs/dbraw/zinc/52/63/05/570526305.db2.gz ALXRYPQLZALUSQ-LJQANCHMSA-N 1 1 383.536 4.656 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)N3CCCCC3)co2)[C@H](C)C(C)C)cc1 ZINC000036063927 570526306 /nfs/dbraw/zinc/52/63/06/570526306.db2.gz ALXRYPQLZALUSQ-LJQANCHMSA-N 1 1 383.536 4.656 50 0 GJAAMO CCOc1ccccc1[C@H]1c2cc3c(cc2O[C@@](C)([NH+]2CCCC2)[C@@H]1C)OCO3 ZINC000033701660 570528547 /nfs/dbraw/zinc/52/85/47/570528547.db2.gz LPWYMVXRDVBDOS-QQTNTEGQSA-N 1 1 395.499 4.786 50 0 GJAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C)s2)Cc2ccccc2)cc1 ZINC000036101152 570537952 /nfs/dbraw/zinc/53/79/52/570537952.db2.gz KXRSCPUZRJTFHS-FQEVSTJZSA-N 1 1 397.540 4.507 50 0 GJAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 ZINC000006762591 570575694 /nfs/dbraw/zinc/57/56/94/570575694.db2.gz ITDWUMYJUXDGKI-IBGZPJMESA-N 1 1 383.561 4.666 50 0 GJAAMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000011703392 570580105 /nfs/dbraw/zinc/58/01/05/570580105.db2.gz DCZQSSWQASELPJ-FQEVSTJZSA-N 1 1 382.529 4.527 50 0 GJAAMO CC(C)n1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000011702596 570580149 /nfs/dbraw/zinc/58/01/49/570580149.db2.gz SCOTUYMYTMKCTA-HXUWFJFHSA-N 1 1 388.987 4.504 50 0 GJAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1)NC1CC1 ZINC000012058183 570603419 /nfs/dbraw/zinc/60/34/19/570603419.db2.gz SIMXOCUIXKFXJJ-MRXNPFEDSA-N 1 1 386.923 4.871 50 0 GJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](C)O ZINC000036306819 570604300 /nfs/dbraw/zinc/60/43/00/570604300.db2.gz 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COc1cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc(OC)c1 ZINC000036348223 570631106 /nfs/dbraw/zinc/63/11/06/570631106.db2.gz HZQCFHANUSCSRI-QHCPKHFHSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc(OC)c1 ZINC000036348223 570631109 /nfs/dbraw/zinc/63/11/09/570631109.db2.gz HZQCFHANUSCSRI-QHCPKHFHSA-N 1 1 380.463 4.640 50 0 GJAAMO CSCCC[N@H+]1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012299967 570635353 /nfs/dbraw/zinc/63/53/53/570635353.db2.gz XKNVNMPUVOGMHR-OAHLLOKOSA-N 1 1 388.499 4.889 50 0 GJAAMO C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000006833231 570636728 /nfs/dbraw/zinc/63/67/28/570636728.db2.gz JRBBXNBIGSYQQS-FDDCHVKYSA-N 1 1 378.560 4.998 50 0 GJAAMO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000012468478 570672261 /nfs/dbraw/zinc/67/22/61/570672261.db2.gz XCJAMFWAOITVTG-OAQYLSRUSA-N 1 1 389.499 4.790 50 0 GJAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000012468478 570672266 /nfs/dbraw/zinc/67/22/66/570672266.db2.gz XCJAMFWAOITVTG-OAQYLSRUSA-N 1 1 389.499 4.790 50 0 GJAAMO CCc1ccc(-c2nc3ccccc3c(C(=O)N3CC[NH+](CC)CC3)c2C)cc1 ZINC000055060304 570680545 /nfs/dbraw/zinc/68/05/45/570680545.db2.gz FYBNUPKKEWZEPM-UHFFFAOYSA-N 1 1 387.527 4.550 50 0 GJAAMO COCC[N@@H+](Cc1csc(-c2ccc(Cl)cc2)n1)C1CCSCC1 ZINC000241961405 570688157 /nfs/dbraw/zinc/68/81/57/570688157.db2.gz USFPQHVJKVQVLG-UHFFFAOYSA-N 1 1 382.982 4.808 50 0 GJAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055243421 570688704 /nfs/dbraw/zinc/68/87/04/570688704.db2.gz KYWNUPQZAQQQJD-INIZCTEOSA-N 1 1 383.492 4.681 50 0 GJAAMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012612000 570690526 /nfs/dbraw/zinc/69/05/26/570690526.db2.gz FAVIAMHFIKAJLU-NRFANRHFSA-N 1 1 397.563 4.963 50 0 GJAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012706333 570700412 /nfs/dbraw/zinc/70/04/12/570700412.db2.gz CLBXALCPZRFTRU-SFHVURJKSA-N 1 1 385.891 4.646 50 0 GJAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012706333 570700414 /nfs/dbraw/zinc/70/04/14/570700414.db2.gz CLBXALCPZRFTRU-SFHVURJKSA-N 1 1 385.891 4.646 50 0 GJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)cc1 ZINC000012836124 570723454 /nfs/dbraw/zinc/72/34/54/570723454.db2.gz IDYWNODKAQVUCR-OAQYLSRUSA-N 1 1 386.495 4.893 50 0 GJAAMO CCCc1cc(Cn2cnc(-c3ccccc3)c2[C@@H]2CCC[N@@H+](CC)C2)on1 ZINC000065408246 570767019 /nfs/dbraw/zinc/76/70/19/570767019.db2.gz LYPNVFXGPQEHLD-LJQANCHMSA-N 1 1 378.520 4.738 50 0 GJAAMO CCOc1ccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000004668277 570814335 /nfs/dbraw/zinc/81/43/35/570814335.db2.gz PELKFVDREUHVKU-UWJYYQICSA-N 1 1 389.609 4.757 50 0 GJAAMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000007419707 570839296 /nfs/dbraw/zinc/83/92/96/570839296.db2.gz UNXFJPDBQCNERL-CYBMUJFWSA-N 1 1 381.303 4.851 50 0 GJAAMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000007419707 570839299 /nfs/dbraw/zinc/83/92/99/570839299.db2.gz UNXFJPDBQCNERL-CYBMUJFWSA-N 1 1 381.303 4.851 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000032869475 570864421 /nfs/dbraw/zinc/86/44/21/570864421.db2.gz GSBGLZVHBQLCMT-IBGZPJMESA-N 1 1 388.895 4.523 50 0 GJAAMO Cc1ccc(Sc2ccc(C[N@@H+]3CCC[C@@]4(CN(C)C(=O)O4)CC3)o2)cc1 ZINC000072145072 570871078 /nfs/dbraw/zinc/87/10/78/570871078.db2.gz WIXXQWPMGCLEHY-NRFANRHFSA-N 1 1 386.517 4.546 50 0 GJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000170613352 570871309 /nfs/dbraw/zinc/87/13/09/570871309.db2.gz PNUQRKVMSHZAKR-BBRMVZONSA-N 1 1 396.478 4.914 50 0 GJAAMO O=C1N[C@H](c2ccccc2F)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000003647461 570880933 /nfs/dbraw/zinc/88/09/33/570880933.db2.gz FDZIEOFCTPCQMG-FQEVSTJZSA-N 1 1 393.487 4.874 50 0 GJAAMO O=C1N[C@H](c2ccccc2F)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000003647461 570880937 /nfs/dbraw/zinc/88/09/37/570880937.db2.gz FDZIEOFCTPCQMG-FQEVSTJZSA-N 1 1 393.487 4.874 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000004555596 570882593 /nfs/dbraw/zinc/88/25/93/570882593.db2.gz DYWZVLBUEKUOCL-OAHLLOKOSA-N 1 1 382.316 4.862 50 0 GJAAMO COC[C@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000001447668 212246690 /nfs/dbraw/zinc/24/66/90/212246690.db2.gz PAYXANVYZBLTQK-HNNXBMFYSA-N 1 1 376.435 4.673 50 0 GJAAMO Cc1nc2c3ccccc3oc2c(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000001270072 212233514 /nfs/dbraw/zinc/23/35/14/212233514.db2.gz HYYPCTXDJWTKQK-JXMROGBWSA-N 1 1 384.483 4.520 50 0 GJAAMO CSc1ccccc1C(=O)N(C)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012570255 206914597 /nfs/dbraw/zinc/91/45/97/206914597.db2.gz LDNYKKMZIQRADR-FQEVSTJZSA-N 1 1 382.573 4.578 50 0 GJAAMO CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000012581217 206916248 /nfs/dbraw/zinc/91/62/48/206916248.db2.gz PKJBXOYICUYCCA-GOSISDBHSA-N 1 1 381.520 4.761 50 0 GJAAMO COc1ccc(C[N@H+]2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)cc1O ZINC000014879839 207031638 /nfs/dbraw/zinc/03/16/38/207031638.db2.gz NRVVQAMECFGWTL-QFIPXVFZSA-N 1 1 381.497 4.907 50 0 GJAAMO COc1ccc(C[N@@H+]2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)cc1O ZINC000014879839 207031643 /nfs/dbraw/zinc/03/16/43/207031643.db2.gz NRVVQAMECFGWTL-QFIPXVFZSA-N 1 1 381.497 4.907 50 0 GJAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)cc1OC ZINC000014979342 207036977 /nfs/dbraw/zinc/03/69/77/207036977.db2.gz PBTKZXAJBUGOMB-GOSISDBHSA-N 1 1 379.456 4.545 50 0 GJAAMO CN(C(=O)c1cccc(-c2ccco2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014980379 207037985 /nfs/dbraw/zinc/03/79/85/207037985.db2.gz QBLYGKPFOHSMDZ-OAQYLSRUSA-N 1 1 392.474 4.822 50 0 GJAAMO CN(C(=O)c1cccc(-c2ccco2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014980379 207037989 /nfs/dbraw/zinc/03/79/89/207037989.db2.gz QBLYGKPFOHSMDZ-OAQYLSRUSA-N 1 1 392.474 4.822 50 0 GJAAMO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862356 207064647 /nfs/dbraw/zinc/06/46/47/207064647.db2.gz MXRNOZSHHULWNT-UHFFFAOYSA-N 1 1 378.516 4.956 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)cc1OC ZINC000019732401 207156085 /nfs/dbraw/zinc/15/60/85/207156085.db2.gz SHIKDDIGPMZTFR-FQEVSTJZSA-N 1 1 391.515 4.782 50 0 GJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)C3CCCCC3)cc2)[nH+]1 ZINC000021794142 207238611 /nfs/dbraw/zinc/23/86/11/207238611.db2.gz KKUVFMJLENARPG-UHFFFAOYSA-N 1 1 379.508 4.648 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794142 207238615 /nfs/dbraw/zinc/23/86/15/207238615.db2.gz KKUVFMJLENARPG-UHFFFAOYSA-N 1 1 379.508 4.648 50 0 GJAAMO O=C(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1-c1ccccc1 ZINC000023055006 207268823 /nfs/dbraw/zinc/26/88/23/207268823.db2.gz JNMDDDZLSRMUFW-KRWDZBQOSA-N 1 1 376.422 4.957 50 0 GJAAMO O=C(NCc1ccoc1)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2F)s1 ZINC000023367970 207275323 /nfs/dbraw/zinc/27/53/23/207275323.db2.gz RNIWONAUBOKIGA-GOSISDBHSA-N 1 1 384.476 4.747 50 0 GJAAMO O=C(NCc1ccoc1)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2F)s1 ZINC000023367970 207275325 /nfs/dbraw/zinc/27/53/25/207275325.db2.gz RNIWONAUBOKIGA-GOSISDBHSA-N 1 1 384.476 4.747 50 0 GJAAMO O=C(c1c[nH]c2ccccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024001948 207285376 /nfs/dbraw/zinc/28/53/76/207285376.db2.gz WYOMSLYSUVAWAV-UHFFFAOYSA-N 1 1 395.506 4.715 50 0 GJAAMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCC(=O)Nc4ccccc4C)CC3)c2c1 ZINC000095962687 208246754 /nfs/dbraw/zinc/24/67/54/208246754.db2.gz AGTIYYGYLMBWBT-UHFFFAOYSA-N 1 1 389.499 4.603 50 0 GJAAMO CCc1ccc(CN(C)C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)nc1 ZINC000096162168 208281794 /nfs/dbraw/zinc/28/17/94/208281794.db2.gz QZMOSYMAGIUXGA-SFHVURJKSA-N 1 1 380.536 4.682 50 0 GJAAMO Cc1ccc(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000220964678 208863761 /nfs/dbraw/zinc/86/37/61/208863761.db2.gz AAGMNDYLFWMCMT-UHFFFAOYSA-N 1 1 398.550 4.893 50 0 GJAAMO Cc1ccccc1[C@H]1C2=C([NH+]=C3N=CNN31)c1ccccc1O[C@@H]2c1cccs1 ZINC000002707215 220554296 /nfs/dbraw/zinc/55/42/96/220554296.db2.gz OTINGDSTQHQADC-FCHUYYIVSA-N 1 1 398.491 4.861 50 0 GJAAMO CCc1ccc2c(C[N@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)cc(=O)oc2c1 ZINC000007718216 221006977 /nfs/dbraw/zinc/00/69/77/221006977.db2.gz JOXPIAOAWKRIJZ-OAQYLSRUSA-N 1 1 393.483 4.710 50 0 GJAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)o1 ZINC000007590708 221002529 /nfs/dbraw/zinc/00/25/29/221002529.db2.gz GHEZEQSOIUMALB-FUHWJXTLSA-N 1 1 378.476 4.712 50 0 GJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CSc2ccccc2)C1 ZINC000011818179 221127338 /nfs/dbraw/zinc/12/73/38/221127338.db2.gz NVALDYYMCUTBAO-NRFANRHFSA-N 1 1 396.600 4.500 50 0 GJAAMO O=C(C1=CCCCC1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011938156 221139815 /nfs/dbraw/zinc/13/98/15/221139815.db2.gz CZVCEKDULCTAQV-QFIPXVFZSA-N 1 1 395.591 4.955 50 0 GJAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2C)C1 ZINC000011878693 221135411 /nfs/dbraw/zinc/13/54/11/221135411.db2.gz QEULUZUIERBTFB-HSZRJFAPSA-N 1 1 396.556 4.837 50 0 GJAAMO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](Cc4ccon4)CC3)cc2)c1 ZINC000012440053 221195331 /nfs/dbraw/zinc/19/53/31/221195331.db2.gz JUIGHAHOAAJXAL-UHFFFAOYSA-N 1 1 375.472 4.501 50 0 GJAAMO OCCn1c(C[NH2+][C@@H](c2cccs2)c2ccccc2)nc2ccc(Cl)cc21 ZINC000012601232 221212799 /nfs/dbraw/zinc/21/27/99/221212799.db2.gz LONFOTZLYJYAQP-OAQYLSRUSA-N 1 1 397.931 4.623 50 0 GJAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CC1=CCCCC1 ZINC000012708975 221218970 /nfs/dbraw/zinc/21/89/70/221218970.db2.gz CXTNGAFCSFIWBE-QHCPKHFHSA-N 1 1 398.591 4.689 50 0 GJAAMO CCOc1ccccc1[C@@H]1c2cc3c(cc2O[C@](C)([NH+]2CCCC2)[C@@H]1C)OCO3 ZINC000012860644 221239300 /nfs/dbraw/zinc/23/93/00/221239300.db2.gz LPWYMVXRDVBDOS-VILGCMSXSA-N 1 1 395.499 4.786 50 0 GJAAMO Cc1ccc(C)c(-n2cc(C[N@H+](C)C3CCN(C)CC3)c(-c3ccccc3)n2)c1 ZINC000015078752 221332523 /nfs/dbraw/zinc/33/25/23/221332523.db2.gz ZTFAHXKMEZCCKO-UHFFFAOYSA-N 1 1 388.559 4.682 50 0 GJAAMO Cc1ccc(C)c(-n2cc(CN(C)C3CC[NH+](C)CC3)c(-c3ccccc3)n2)c1 ZINC000015078752 221332526 /nfs/dbraw/zinc/33/25/26/221332526.db2.gz ZTFAHXKMEZCCKO-UHFFFAOYSA-N 1 1 388.559 4.682 50 0 GJAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000015419268 221336307 /nfs/dbraw/zinc/33/63/07/221336307.db2.gz RNQPJFSLXWDEKZ-CYBMUJFWSA-N 1 1 379.273 4.528 50 0 GJAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000015419268 221336310 /nfs/dbraw/zinc/33/63/10/221336310.db2.gz RNQPJFSLXWDEKZ-CYBMUJFWSA-N 1 1 379.273 4.528 50 0 GJAAMO CN(C(=O)c1cc2ccccc2o1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014980676 221324095 /nfs/dbraw/zinc/32/40/95/221324095.db2.gz JPTNHYGOHHZOFL-NRFANRHFSA-N 1 1 376.500 4.602 50 0 GJAAMO COc1cccc(C[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)c1 ZINC000017311918 221383692 /nfs/dbraw/zinc/38/36/92/221383692.db2.gz HOCLOJKCVLJMSX-UHFFFAOYSA-N 1 1 376.287 4.786 50 0 GJAAMO Cc1cccc(C[N@H+](C)C2CCN(c3cccc(-c4cscn4)c3)CC2)n1 ZINC000063856208 136156458 /nfs/dbraw/zinc/15/64/58/136156458.db2.gz HYCIMCZKCVNSOP-UHFFFAOYSA-N 1 1 378.545 4.614 50 0 GJAAMO c1cnn(-c2ccc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)cc2)c1 ZINC000027236705 221652232 /nfs/dbraw/zinc/65/22/32/221652232.db2.gz GBQXUFZWQYWLTR-UHFFFAOYSA-N 1 1 375.472 4.546 50 0 GJAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2cc(C)ccc2OC)c2cccs2)cc1 ZINC000057323128 222030245 /nfs/dbraw/zinc/03/02/45/222030245.db2.gz OLWBRVAELFRSRW-QHCPKHFHSA-N 1 1 394.540 4.945 50 0 GJAAMO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000053175085 222008196 /nfs/dbraw/zinc/00/81/96/222008196.db2.gz CWUXCWWBIHLQNU-NSHDSACASA-N 1 1 386.801 4.657 50 0 GJAAMO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2cc3ccc(F)cc3[nH]c2=O)s1 ZINC000055269815 222017974 /nfs/dbraw/zinc/01/79/74/222017974.db2.gz WTYGNTPCXLJXGF-UHFFFAOYSA-N 1 1 393.487 4.635 50 0 GJAAMO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc(Br)c1OC ZINC000058421338 222052224 /nfs/dbraw/zinc/05/22/24/222052224.db2.gz FXYLUCZLGOUACZ-QGZVFWFLSA-N 1 1 392.293 4.509 50 0 GJAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc(Br)c1OC ZINC000058421338 222052228 /nfs/dbraw/zinc/05/22/28/222052228.db2.gz FXYLUCZLGOUACZ-QGZVFWFLSA-N 1 1 392.293 4.509 50 0 GJAAMO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000071315617 222179845 /nfs/dbraw/zinc/17/98/45/222179845.db2.gz CLJIRQRFWZARMR-UHFFFAOYSA-N 1 1 378.426 4.703 50 0 GJAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000071315617 222179846 /nfs/dbraw/zinc/17/98/46/222179846.db2.gz CLJIRQRFWZARMR-UHFFFAOYSA-N 1 1 378.426 4.703 50 0 GJAAMO Fc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4nc5ccccc5o4)C3)C2)c1F ZINC000072164639 222214193 /nfs/dbraw/zinc/21/41/93/222214193.db2.gz AGVKIXKFLYWSRF-QFIPXVFZSA-N 1 1 383.442 4.599 50 0 GJAAMO Fc1cccc(C[N@H+]2CCC[C@]3(CCN(c4nc5ccccc5o4)C3)C2)c1F ZINC000072164639 222214197 /nfs/dbraw/zinc/21/41/97/222214197.db2.gz AGVKIXKFLYWSRF-QFIPXVFZSA-N 1 1 383.442 4.599 50 0 GJAAMO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+](C)C[C@@H]2CCCCO2)o1 ZINC000072454053 222262679 /nfs/dbraw/zinc/26/26/79/222262679.db2.gz LXRVNUQSIQNMLW-FQEVSTJZSA-N 1 1 383.467 4.581 50 0 GJAAMO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951877 222364288 /nfs/dbraw/zinc/36/42/88/222364288.db2.gz XCECVQGRQPERES-PMACEKPBSA-N 1 1 389.282 4.739 50 0 GJAAMO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951877 222364289 /nfs/dbraw/zinc/36/42/89/222364289.db2.gz XCECVQGRQPERES-PMACEKPBSA-N 1 1 389.282 4.739 50 0 GJAAMO Fc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1Br ZINC000244866497 518196123 /nfs/dbraw/zinc/19/61/23/518196123.db2.gz VXCVNBYMELAWRG-PMACEKPBSA-N 1 1 395.360 4.817 50 0 GJAAMO Fc1cccc([C@@H]([NH2+]Cc2cncs2)c2cccc(Br)c2)c1 ZINC000097019033 534525636 /nfs/dbraw/zinc/52/56/36/534525636.db2.gz LZNBKIMBMFGOBJ-KRWDZBQOSA-N 1 1 377.282 4.924 50 0 GJAAMO CC[N@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-c3ccc4ccccc4n3)cc2)C1 ZINC000426494471 529084776 /nfs/dbraw/zinc/08/47/76/529084776.db2.gz XNAYPPLLVOOZLE-LJQANCHMSA-N 1 1 387.527 4.706 50 0 GJAAMO FC(F)(F)c1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000019840960 570224680 /nfs/dbraw/zinc/22/46/80/570224680.db2.gz DDFPPVUNLJWCSO-KRWDZBQOSA-N 1 1 386.421 4.870 50 0 GJAAMO CCCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(OCC)cc2)no1 ZINC000021720009 570294915 /nfs/dbraw/zinc/29/49/15/570294915.db2.gz MZNFJTPEOSUFSZ-OAQYLSRUSA-N 1 1 380.492 4.753 50 0 GJAAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(OCC)cc2)no1 ZINC000021720009 570294916 /nfs/dbraw/zinc/29/49/16/570294916.db2.gz MZNFJTPEOSUFSZ-OAQYLSRUSA-N 1 1 380.492 4.753 50 0 GJAAMO C[NH+](C)C[C@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 ZINC000022789438 570327831 /nfs/dbraw/zinc/32/78/31/570327831.db2.gz ZIVTYNYWZTVDRW-DQEYMECFSA-N 1 1 397.522 4.984 50 0 GJAAMO C[C@H](c1ccccc1)[NH+]1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000022914308 570334711 /nfs/dbraw/zinc/33/47/11/570334711.db2.gz CUXKYTFOCYWFKB-SJORKVTESA-N 1 1 396.922 4.830 50 0 GJAAMO C[N@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S@](C)=O)cc21 ZINC000003831041 570351067 /nfs/dbraw/zinc/35/10/67/570351067.db2.gz SLVMESMUVMCQIY-AKJBCIBTSA-N 1 1 386.586 4.901 50 0 world GJAAMO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)Cc1cccc(C(F)(F)F)c1)CC2 ZINC000023280879 570353872 /nfs/dbraw/zinc/35/38/72/570353872.db2.gz ZKNMBUQQBPNZNS-AWEZNQCLSA-N 1 1 379.422 4.712 50 0 GJAAMO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000004299486 570366028 /nfs/dbraw/zinc/36/60/28/570366028.db2.gz CWSDZVKPMONNSH-UHFFFAOYSA-N 1 1 378.303 4.733 50 0 GJAAMO Cc1nc(-c2cccc(NC(=O)C[N@H+](C)[C@H]3CCc4ccccc43)c2)cs1 ZINC000029486344 570474796 /nfs/dbraw/zinc/47/47/96/570474796.db2.gz ZHESKYNZIMZSNM-NRFANRHFSA-N 1 1 377.513 4.676 50 0 GJAAMO c1csc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c1 ZINC000002707201 570506188 /nfs/dbraw/zinc/50/61/88/570506188.db2.gz HCIYGSKPFCTAAW-SFTDATJTSA-N 1 1 384.464 4.552 50 0 GJAAMO COCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714745 570509370 /nfs/dbraw/zinc/50/93/70/570509370.db2.gz UKQXDDPPUZKIMZ-UHFFFAOYSA-N 1 1 376.435 4.675 50 0 GJAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000006641682 570513737 /nfs/dbraw/zinc/51/37/37/570513737.db2.gz XOZQFEQVRDICDF-IWFLJPMXSA-N 1 1 393.527 4.782 50 0 GJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036031403 570517660 /nfs/dbraw/zinc/51/76/60/570517660.db2.gz DLNXJXJBTZVYHY-OAQYLSRUSA-N 1 1 385.504 4.638 50 0 GJAAMO CC(C)CNC(=O)c1coc(C[N@H+](Cc2ccc(Cl)cc2)[C@H](C)C(C)C)n1 ZINC000036069052 570526576 /nfs/dbraw/zinc/52/65/76/570526576.db2.gz PGFVGSIHYIRJEA-MRXNPFEDSA-N 1 1 391.943 4.761 50 0 GJAAMO CC(C)CNC(=O)c1coc(C[N@@H+](Cc2ccc(Cl)cc2)[C@H](C)C(C)C)n1 ZINC000036069052 570526582 /nfs/dbraw/zinc/52/65/82/570526582.db2.gz PGFVGSIHYIRJEA-MRXNPFEDSA-N 1 1 391.943 4.761 50 0 GJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104301 570540912 /nfs/dbraw/zinc/54/09/12/570540912.db2.gz PZVOSXFYJLUHQP-HSZRJFAPSA-N 1 1 379.475 4.576 50 0 GJAAMO Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036104688 570541216 /nfs/dbraw/zinc/54/12/16/570541216.db2.gz NFYHCACXMFSEFZ-DEOSSOPVSA-N 1 1 393.502 4.885 50 0 GJAAMO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000022766092 570543750 /nfs/dbraw/zinc/54/37/50/570543750.db2.gz YZBHQADPQLNXKY-NRFANRHFSA-N 1 1 398.478 4.556 50 0 GJAAMO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000022766092 570543752 /nfs/dbraw/zinc/54/37/52/570543752.db2.gz YZBHQADPQLNXKY-NRFANRHFSA-N 1 1 398.478 4.556 50 0 GJAAMO Cc1ccccc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022907711 570563947 /nfs/dbraw/zinc/56/39/47/570563947.db2.gz RCAOVTMZVYKBMC-NRFANRHFSA-N 1 1 376.525 4.586 50 0 GJAAMO Cc1ccccc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022907711 570563950 /nfs/dbraw/zinc/56/39/50/570563950.db2.gz RCAOVTMZVYKBMC-NRFANRHFSA-N 1 1 376.525 4.586 50 0 GJAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000022907717 570564205 /nfs/dbraw/zinc/56/42/05/570564205.db2.gz YAGMJGHDSUTAAF-FQEVSTJZSA-N 1 1 396.943 4.931 50 0 GJAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000022907717 570564207 /nfs/dbraw/zinc/56/42/07/570564207.db2.gz YAGMJGHDSUTAAF-FQEVSTJZSA-N 1 1 396.943 4.931 50 0 GJAAMO COc1ccc([C@H](C)[N@H+](C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)cc1 ZINC000011842471 570587300 /nfs/dbraw/zinc/58/73/00/570587300.db2.gz SWJCBQXEIDBXBI-HNNXBMFYSA-N 1 1 396.487 4.869 50 0 GJAAMO COc1ccc([C@H](C)[N@@H+](C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)cc1 ZINC000011842471 570587301 /nfs/dbraw/zinc/58/73/01/570587301.db2.gz SWJCBQXEIDBXBI-HNNXBMFYSA-N 1 1 396.487 4.869 50 0 GJAAMO CCCC[N@H+]1C[C@H](C(=O)NCc2ccccc2)C[C@@H](c2ccc(CC)cc2)C1 ZINC000169678898 570599670 /nfs/dbraw/zinc/59/96/70/570599670.db2.gz YFGCFRVVATZUQP-DNQXCXABSA-N 1 1 378.560 4.771 50 0 GJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000036307204 570604259 /nfs/dbraw/zinc/60/42/59/570604259.db2.gz HDYFIRCKAWFCNT-KRWDZBQOSA-N 1 1 397.494 4.611 50 0 GJAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)C(C)C)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343900 570626624 /nfs/dbraw/zinc/62/66/24/570626624.db2.gz QYWYCNPMGAKXCM-JOCHJYFZSA-N 1 1 397.950 4.975 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036345473 570627477 /nfs/dbraw/zinc/62/74/77/570627477.db2.gz DGWOTJIZHLFFTO-HSZRJFAPSA-N 1 1 393.506 4.606 50 0 GJAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000036347619 570629592 /nfs/dbraw/zinc/62/95/92/570629592.db2.gz BVSDAGKNFIYGEB-HSZRJFAPSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000036347619 570629594 /nfs/dbraw/zinc/62/95/94/570629594.db2.gz BVSDAGKNFIYGEB-HSZRJFAPSA-N 1 1 380.463 4.640 50 0 GJAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCC[C@@H](C(=O)CC(C)C)C1 ZINC000012431232 570659641 /nfs/dbraw/zinc/65/96/41/570659641.db2.gz JXNOILKXETYPOI-OAHLLOKOSA-N 1 1 376.447 4.755 50 0 GJAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)CC(C)C)C1 ZINC000012431232 570659643 /nfs/dbraw/zinc/65/96/43/570659643.db2.gz JXNOILKXETYPOI-OAHLLOKOSA-N 1 1 376.447 4.755 50 0 GJAAMO Cc1ccc(Cl)cc1NC(=O)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877314 570668009 /nfs/dbraw/zinc/66/80/09/570668009.db2.gz LSUGKHCYIKWZIN-UHFFFAOYSA-N 1 1 397.950 4.951 50 0 GJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)ccc1O ZINC000016042907 570686423 /nfs/dbraw/zinc/68/64/23/570686423.db2.gz ZPRXFOYSQXJVFF-NKKJXINNSA-N 1 1 381.516 4.578 50 0 biogenic GJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)c1cc2ccccc2[nH]1 ZINC000012706181 570700520 /nfs/dbraw/zinc/70/05/20/570700520.db2.gz APAXEUULDNLOHI-QGZVFWFLSA-N 1 1 387.483 4.556 50 0 GJAAMO Cc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006922844 570706859 /nfs/dbraw/zinc/70/68/59/570706859.db2.gz QKQZEKKTBGAMSI-QDSKXPNFSA-N 1 1 379.500 4.592 50 0 biogenic GJAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)c2ccccc2)cc1 ZINC000058160448 570712337 /nfs/dbraw/zinc/71/23/37/570712337.db2.gz QMVGOEGCICYEAD-JOCHJYFZSA-N 1 1 398.865 4.805 50 0 GJAAMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000032664748 570730636 /nfs/dbraw/zinc/73/06/36/570730636.db2.gz QFNYSNSPCNAFDR-LLVKDONJSA-N 1 1 392.735 4.771 50 0 GJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000065322202 570800221 /nfs/dbraw/zinc/80/02/21/570800221.db2.gz PWYMMCGOMFIIGQ-UHFFFAOYSA-N 1 1 376.504 4.685 50 0 GJAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1F ZINC000012558922 570861104 /nfs/dbraw/zinc/86/11/04/570861104.db2.gz WDCZOWVAAXTWSE-CQSZACIVSA-N 1 1 375.875 4.909 50 0 GJAAMO COc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)cc1Cl ZINC000012559810 570861950 /nfs/dbraw/zinc/86/19/50/570861950.db2.gz QVMICRZWIIUGCG-HNNXBMFYSA-N 1 1 387.911 4.778 50 0 GJAAMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000015659200 570901166 /nfs/dbraw/zinc/90/11/66/570901166.db2.gz UHSNXGHTSUFAOZ-LMXQCQDWSA-N 1 1 383.576 4.626 50 0 GJAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000105008210 570912321 /nfs/dbraw/zinc/91/23/21/570912321.db2.gz WSWSJVLCKQWZAA-KSFYIVLOSA-N 1 1 397.469 4.517 50 0 GJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000006508778 570930610 /nfs/dbraw/zinc/93/06/10/570930610.db2.gz OVOIFXKKUCJITK-HKUYNNGSSA-N 1 1 375.299 4.750 50 0 GJAAMO COc1ccc(C[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C2CC2)cc1 ZINC000032937545 570952411 /nfs/dbraw/zinc/95/24/11/570952411.db2.gz SWTDUVHFBUYUMQ-RUZDIDTESA-N 1 1 398.355 4.774 50 0 GJAAMO COc1ccc(C[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C2CC2)cc1 ZINC000032937545 570952413 /nfs/dbraw/zinc/95/24/13/570952413.db2.gz SWTDUVHFBUYUMQ-RUZDIDTESA-N 1 1 398.355 4.774 50 0 GJAAMO C[C@@H]1CN(c2ccccc2C[N@H+]2CCCCC[C@H]2c2ccncc2)C[C@H](C)O1 ZINC000252477746 570966404 /nfs/dbraw/zinc/96/64/04/570966404.db2.gz VAJSQJIBUOOABE-MZKRTTBSSA-N 1 1 379.548 4.813 50 0 GJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)C3CCCC3)cc2)[nH+]1 ZINC000033318342 570973401 /nfs/dbraw/zinc/97/34/01/570973401.db2.gz SRSNFILYQCZVRT-UHFFFAOYSA-N 1 1 379.508 4.648 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)C3CCCC3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033318342 570973404 /nfs/dbraw/zinc/97/34/04/570973404.db2.gz SRSNFILYQCZVRT-UHFFFAOYSA-N 1 1 379.508 4.648 50 0 GJAAMO CCCCO[C@H](C)C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000252511798 570982014 /nfs/dbraw/zinc/98/20/14/570982014.db2.gz KQBRXJUZBGILMS-DENIHFKCSA-N 1 1 390.568 4.610 50 0 GJAAMO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)[C@H](C)[C@@]1(O)Cc1ccccc1 ZINC000239248059 206279940 /nfs/dbraw/zinc/27/99/40/206279940.db2.gz XYXSWNLJRUZOJN-SXSRJDHOSA-N 1 1 385.551 5.660 50 0 GJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)ccc1O ZINC000004047279 206293717 /nfs/dbraw/zinc/29/37/17/206293717.db2.gz ZPRXFOYSQXJVFF-OYDLWJJNSA-N 1 1 381.516 4.578 50 0 biogenic GJAAMO O=C(c1ccc(Cl)s1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000014955967 207033687 /nfs/dbraw/zinc/03/36/87/207033687.db2.gz WPZRCONBYRHPKA-FQEVSTJZSA-N 1 1 392.927 4.669 50 0 GJAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)cc1C ZINC000015069687 207044884 /nfs/dbraw/zinc/04/48/84/207044884.db2.gz ZCTIDGPLETVOOJ-LJQANCHMSA-N 1 1 384.520 4.794 50 0 GJAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)cc1C ZINC000015069687 207044888 /nfs/dbraw/zinc/04/48/88/207044888.db2.gz ZCTIDGPLETVOOJ-LJQANCHMSA-N 1 1 384.520 4.794 50 0 GJAAMO C[N@H+](CCC12CC3CC(CC(C3)C1)C2)Cc1nc(COc2ccccc2)no1 ZINC000015072270 207044951 /nfs/dbraw/zinc/04/49/51/207044951.db2.gz MSLUVAZQRORNRP-UHFFFAOYSA-N 1 1 381.520 4.687 50 0 GJAAMO C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)Cc1nc(COc2ccccc2)no1 ZINC000015072270 207044954 /nfs/dbraw/zinc/04/49/54/207044954.db2.gz MSLUVAZQRORNRP-UHFFFAOYSA-N 1 1 381.520 4.687 50 0 GJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cc1 ZINC000015074834 207046242 /nfs/dbraw/zinc/04/62/42/207046242.db2.gz WPDVQNFGRIWVHW-GOSISDBHSA-N 1 1 384.907 4.702 50 0 GJAAMO O=C(Nc1cccc(C(F)(F)F)c1)C1=CC[N@H+](Cc2ccccc2F)CC1 ZINC000015861017 207065649 /nfs/dbraw/zinc/06/56/49/207065649.db2.gz FHMLJNUAJFAHNY-UHFFFAOYSA-N 1 1 378.369 4.615 50 0 GJAAMO O=C(Nc1cccc(C(F)(F)F)c1)C1=CC[N@@H+](Cc2ccccc2F)CC1 ZINC000015861017 207065654 /nfs/dbraw/zinc/06/56/54/207065654.db2.gz FHMLJNUAJFAHNY-UHFFFAOYSA-N 1 1 378.369 4.615 50 0 GJAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000019146644 207106005 /nfs/dbraw/zinc/10/60/05/207106005.db2.gz MIAUZXMRRCJROG-LJQANCHMSA-N 1 1 379.479 4.994 50 0 GJAAMO CCOc1cc(C[NH2+]CCN(C)C)c(Cl)cc1OCc1ccccc1Cl ZINC000019691230 207148241 /nfs/dbraw/zinc/14/82/41/207148241.db2.gz WAFAGZWVEYSVAS-UHFFFAOYSA-N 1 1 397.346 4.622 50 0 GJAAMO CCOc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019770397 207161738 /nfs/dbraw/zinc/16/17/38/207161738.db2.gz BRYSGTDRSIOCPS-UHFFFAOYSA-N 1 1 386.495 4.896 50 0 GJAAMO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000019913533 207170097 /nfs/dbraw/zinc/17/00/97/207170097.db2.gz PTNAXCBVCOAWBQ-UHFFFAOYSA-N 1 1 378.919 4.698 50 0 GJAAMO CCN(C(=O)Cn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000021171072 207229087 /nfs/dbraw/zinc/22/90/87/207229087.db2.gz SRYVFOBXBLDZQK-LJQANCHMSA-N 1 1 390.531 4.636 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)cc1COCC(F)(F)F ZINC000021719855 207236726 /nfs/dbraw/zinc/23/67/26/207236726.db2.gz WFKGYICBLHYHKJ-KRWDZBQOSA-N 1 1 398.425 4.716 50 0 GJAAMO CC(=O)Nc1ccc2[nH]c(C)c([C@@H](Nc3cc(C)cc[nH+]3)c3ccccn3)c2c1 ZINC000021805637 207237970 /nfs/dbraw/zinc/23/79/70/207237970.db2.gz QNPCMTVPCKSFHA-QHCPKHFHSA-N 1 1 385.471 4.735 50 0 GJAAMO O=C(Nc1ccc2c(c1)C[N@@H+](C1CCSCC1)CC2)C1(c2ccccc2)CC1 ZINC000023128494 207270238 /nfs/dbraw/zinc/27/02/38/207270238.db2.gz LRQVWDSLDQLOLY-UHFFFAOYSA-N 1 1 392.568 4.611 50 0 GJAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccc(F)c1 ZINC000036344711 207521789 /nfs/dbraw/zinc/52/17/89/207521789.db2.gz KNCLPGLEDCNZRU-OAQYLSRUSA-N 1 1 399.897 4.643 50 0 GJAAMO OC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000072481533 208033222 /nfs/dbraw/zinc/03/32/22/208033222.db2.gz HUTVNCQPTTUAKP-MRXNPFEDSA-N 1 1 399.897 4.536 50 0 GJAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@](C)(CO)C2CCCCC2)c1 ZINC000079015153 208069268 /nfs/dbraw/zinc/06/92/68/208069268.db2.gz PQHOCSVEUKMQFT-QHCPKHFHSA-N 1 1 398.551 4.508 50 0 GJAAMO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000082039454 208076907 /nfs/dbraw/zinc/07/69/07/208076907.db2.gz FGNMRRVCHAEGFG-MRXNPFEDSA-N 1 1 393.405 4.515 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000082039454 208076911 /nfs/dbraw/zinc/07/69/11/208076911.db2.gz FGNMRRVCHAEGFG-MRXNPFEDSA-N 1 1 393.405 4.515 50 0 GJAAMO CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000089893514 208111856 /nfs/dbraw/zinc/11/18/56/208111856.db2.gz LGGNYKYHOAYCMX-IRXDYDNUSA-N 1 1 377.529 4.552 50 0 GJAAMO CC(C)c1cnc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000089893514 208111860 /nfs/dbraw/zinc/11/18/60/208111860.db2.gz LGGNYKYHOAYCMX-IRXDYDNUSA-N 1 1 377.529 4.552 50 0 GJAAMO CNC(=O)c1ccc(C[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)cc1 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385.577 4.513 50 0 GJAAMO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014966027 221321453 /nfs/dbraw/zinc/32/14/53/221321453.db2.gz NLNVMYDUISPVOU-INIZCTEOSA-N 1 1 386.586 4.839 50 0 GJAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014966027 221321455 /nfs/dbraw/zinc/32/14/55/221321455.db2.gz NLNVMYDUISPVOU-INIZCTEOSA-N 1 1 386.586 4.839 50 0 GJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccoc3)C2)cc1Cl ZINC000015073876 221330666 /nfs/dbraw/zinc/33/06/66/221330666.db2.gz KBSJXBOIGPFBLY-OAHLLOKOSA-N 1 1 376.884 4.573 50 0 GJAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCCC2)o1 ZINC000015860476 221348976 /nfs/dbraw/zinc/34/89/76/221348976.db2.gz FCTFAMSUGRFHNI-SFHVURJKSA-N 1 1 380.488 4.826 50 0 GJAAMO COc1cc(C[N@H+](C)Cn2c3ccccc3oc2=S)ccc1OC(F)F ZINC000016354550 221361052 /nfs/dbraw/zinc/36/10/52/221361052.db2.gz AHGPWDDLPSFKMW-UHFFFAOYSA-N 1 1 380.416 4.663 50 0 GJAAMO COc1cc(C[N@@H+](C)Cn2c3ccccc3oc2=S)ccc1OC(F)F ZINC000016354550 221361055 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Fc1ccc(CC[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000071767625 222196542 /nfs/dbraw/zinc/19/65/42/222196542.db2.gz YHJFCXOGDKRERO-NRFANRHFSA-N 1 1 381.539 4.530 50 0 GJAAMO c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[N@H+]1CCCOCC1 ZINC000072422993 222257175 /nfs/dbraw/zinc/25/71/75/222257175.db2.gz GFNNUGCPSFEMSG-UHFFFAOYSA-N 1 1 387.483 4.567 50 0 GJAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000095504585 222336761 /nfs/dbraw/zinc/33/67/61/222336761.db2.gz WOQOHWCYZSEWCS-INIZCTEOSA-N 1 1 389.902 4.813 50 0 GJAAMO CC(=O)c1cc(C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)cs1 ZINC000077485703 222282525 /nfs/dbraw/zinc/28/25/25/222282525.db2.gz XXSDTKLTFUFWOE-UHFFFAOYSA-N 1 1 379.529 4.644 50 0 GJAAMO CC(C)n1cc(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079189038 222304873 /nfs/dbraw/zinc/30/48/73/222304873.db2.gz XNNDEOPLVACUEX-SIKLNZKXSA-N 1 1 381.564 4.536 50 0 biogenic GJAAMO C[NH+]1CCN([C@H]2Cc3ccccc3Sc3cc(C(F)(F)F)ccc32)CC1 ZINC000019802415 570220732 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OPAXHCFSELFXJI-FQEVSTJZSA-N 1 1 383.499 4.642 50 0 GJAAMO Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000020598809 570269567 /nfs/dbraw/zinc/26/95/67/570269567.db2.gz XAZQRZNYNDKWTR-UHFFFAOYSA-N 1 1 397.906 4.880 50 0 GJAAMO Clc1ccc(OCCC[N@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000002845186 570307701 /nfs/dbraw/zinc/30/77/01/570307701.db2.gz KYTDTOWJJXVFDV-UHFFFAOYSA-N 1 1 380.713 4.930 50 0 GJAAMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666214 570341805 /nfs/dbraw/zinc/34/18/05/570341805.db2.gz YSNTZTBWXHMIIA-UONOGXRCSA-N 1 1 380.473 4.880 50 0 GJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc2cc3cc(OC)ccc3nc2s1 ZINC000004901150 570360309 /nfs/dbraw/zinc/36/03/09/570360309.db2.gz FEXOGOXFJZGJJY-UHFFFAOYSA-N 1 1 399.560 4.700 50 0 GJAAMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000004183071 570361554 /nfs/dbraw/zinc/36/15/54/570361554.db2.gz UHSNXGHTSUFAOZ-LOTWAOFLSA-N 1 1 383.576 4.626 50 0 GJAAMO CCCC[N@@H+](CC)CCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl 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50 0 GJAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CCCC1 ZINC000012090241 221149552 /nfs/dbraw/zinc/14/95/52/221149552.db2.gz FOAUJIYKAKWGPA-GOSISDBHSA-N 1 1 396.497 4.609 50 0 GJAAMO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1c[nH]c3ccccc13)CCO2 ZINC000012100364 221150372 /nfs/dbraw/zinc/15/03/72/221150372.db2.gz QYNPBKSUNWBJRW-VWLOTQADSA-N 1 1 398.506 4.839 50 0 GJAAMO COc1ccc(N[C@@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)cc1 ZINC000012304544 221177515 /nfs/dbraw/zinc/17/75/15/221177515.db2.gz IDFYCVBXVHDPGY-QGZVFWFLSA-N 1 1 383.517 4.797 50 0 GJAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)cc1 ZINC000012304544 221177519 /nfs/dbraw/zinc/17/75/19/221177519.db2.gz IDFYCVBXVHDPGY-QGZVFWFLSA-N 1 1 383.517 4.797 50 0 GJAAMO Cc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)[nH]n1 ZINC000012315922 221181222 /nfs/dbraw/zinc/18/12/22/221181222.db2.gz LMCYEGSOYNQVMV-NRFANRHFSA-N 1 1 388.515 4.544 50 0 GJAAMO O=C(NC[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1)c1cccs1 ZINC000012192024 221164897 /nfs/dbraw/zinc/16/48/97/221164897.db2.gz PHBZHJYZCRSXGJ-MRXNPFEDSA-N 1 1 397.569 4.514 50 0 GJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1)c1cccs1 ZINC000012192024 221164899 /nfs/dbraw/zinc/16/48/99/221164899.db2.gz PHBZHJYZCRSXGJ-MRXNPFEDSA-N 1 1 397.569 4.514 50 0 GJAAMO COC[C@H]1CC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)C1 ZINC000012198584 221166659 /nfs/dbraw/zinc/16/66/59/221166659.db2.gz BIWYBKXWVRSGNJ-FQEVSTJZSA-N 1 1 375.516 4.624 50 0 GJAAMO Cc1ccc(-n2cc(C[N@H+](C)C3CCOCC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012443316 221195958 /nfs/dbraw/zinc/19/59/58/221195958.db2.gz VEXNAGHAXHWZIE-UHFFFAOYSA-N 1 1 379.479 4.598 50 0 GJAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012568002 221208053 /nfs/dbraw/zinc/20/80/53/221208053.db2.gz SHTVCSQULVJSJJ-FCHUYYIVSA-N 1 1 377.463 4.681 50 0 GJAAMO Cn1cccc1[C@@H]1CCC[N@H+]1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012568002 221208055 /nfs/dbraw/zinc/20/80/55/221208055.db2.gz SHTVCSQULVJSJJ-FCHUYYIVSA-N 1 1 377.463 4.681 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)cc1 ZINC000012704657 221219727 /nfs/dbraw/zinc/21/97/27/221219727.db2.gz GRFSCBVCSTWTKJ-IBGZPJMESA-N 1 1 390.483 4.806 50 0 GJAAMO O=C(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000012767658 221229401 /nfs/dbraw/zinc/22/94/01/221229401.db2.gz OHKVWTUMLFIQLC-UHFFFAOYSA-N 1 1 391.298 4.817 50 0 GJAAMO CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000012874915 221240258 /nfs/dbraw/zinc/24/02/58/221240258.db2.gz QWVJZHKGDWWDDA-HOIFWPIMSA-N 1 1 384.495 4.627 50 0 GJAAMO CCCCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1 ZINC000013041258 221258968 /nfs/dbraw/zinc/25/89/68/221258968.db2.gz HBHINKLHMQMSLK-OAHLLOKOSA-N 1 1 388.895 4.586 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000013041617 221259071 /nfs/dbraw/zinc/25/90/71/221259071.db2.gz GNFGWURNDJRGHG-INIZCTEOSA-N 1 1 382.891 4.831 50 0 GJAAMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000013041617 221259074 /nfs/dbraw/zinc/25/90/74/221259074.db2.gz GNFGWURNDJRGHG-INIZCTEOSA-N 1 1 382.891 4.831 50 0 GJAAMO Clc1ccccc1Cc1noc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)n1 ZINC000013595579 221277323 /nfs/dbraw/zinc/27/73/23/221277323.db2.gz BBGMVTDKNUNVNS-IBGZPJMESA-N 1 1 396.922 4.696 50 0 GJAAMO Clc1ccccc1Cc1noc(C[N@H+]2CCCC[C@H]2CCc2ccccn2)n1 ZINC000013595579 221277325 /nfs/dbraw/zinc/27/73/25/221277325.db2.gz BBGMVTDKNUNVNS-IBGZPJMESA-N 1 1 396.922 4.696 50 0 GJAAMO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000015064644 221327931 /nfs/dbraw/zinc/32/79/31/221327931.db2.gz IYBAOLQNPSBWHS-JOCHJYFZSA-N 1 1 387.495 4.997 50 0 GJAAMO c1cc([C@@H]2CCCCO2)oc1C[N@H+]1CCCC12CCN(c1ccccn1)CC2 ZINC000072421292 136169842 /nfs/dbraw/zinc/16/98/42/136169842.db2.gz JIPAPGYFJHAABU-FQEVSTJZSA-N 1 1 381.520 4.551 50 0 GJAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000030006564 221697201 /nfs/dbraw/zinc/69/72/01/221697201.db2.gz DQIFUFOKXBJEPQ-KRWDZBQOSA-N 1 1 377.488 4.665 50 0 GJAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000030006564 221697205 /nfs/dbraw/zinc/69/72/05/221697205.db2.gz DQIFUFOKXBJEPQ-KRWDZBQOSA-N 1 1 377.488 4.665 50 0 GJAAMO COc1ccc(-c2csc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000054979064 222014858 /nfs/dbraw/zinc/01/48/58/222014858.db2.gz CHAODOXDIRNDOZ-VMPITWQZSA-N 1 1 391.540 4.654 50 0 GJAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055253225 222017686 /nfs/dbraw/zinc/01/76/86/222017686.db2.gz SQHQGXUBNHZFHN-IBGZPJMESA-N 1 1 391.540 4.917 50 0 GJAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055253225 222017688 /nfs/dbraw/zinc/01/76/88/222017688.db2.gz SQHQGXUBNHZFHN-IBGZPJMESA-N 1 1 391.540 4.917 50 0 GJAAMO Oc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000058433262 222053921 /nfs/dbraw/zinc/05/39/21/222053921.db2.gz OPWBTUJKJJAGBI-QGZVFWFLSA-N 1 1 389.377 4.798 50 0 GJAAMO Oc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000058433262 222053925 /nfs/dbraw/zinc/05/39/25/222053925.db2.gz OPWBTUJKJJAGBI-QGZVFWFLSA-N 1 1 389.377 4.798 50 0 GJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000065322203 222123548 /nfs/dbraw/zinc/12/35/48/222123548.db2.gz QLMGBAPXEHCBFP-UHFFFAOYSA-N 1 1 390.531 4.993 50 0 GJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCC[C@H](CO)C1 ZINC000071748072 222190246 /nfs/dbraw/zinc/19/02/46/222190246.db2.gz YRAXWKVFTDGSSP-SFHVURJKSA-N 1 1 378.472 4.647 50 0 GJAAMO C[N@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2c[nH]nc2-c2ccccc2)C1 ZINC000067740213 222157651 /nfs/dbraw/zinc/15/76/51/222157651.db2.gz BFURVQJPCCCKDI-GOSISDBHSA-N 1 1 383.499 4.559 50 0 GJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@H](OC)C2)cc1 ZINC000072407265 222255476 /nfs/dbraw/zinc/25/54/76/222255476.db2.gz RGHFPOIXVQMGBH-QFIPXVFZSA-N 1 1 376.500 4.830 50 0 GJAAMO CO[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000072418254 222256442 /nfs/dbraw/zinc/25/64/42/222256442.db2.gz YCWLQVJMEOYGDF-QFIPXVFZSA-N 1 1 379.479 4.598 50 0 GJAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@H+](C)Cc2ccno2)OCO4)c1 ZINC000072454432 222263569 /nfs/dbraw/zinc/26/35/69/222263569.db2.gz CFEVCQINYMWLTJ-UHFFFAOYSA-N 1 1 387.439 4.559 50 0 GJAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+](C)Cc2ccno2)OCO4)c1 ZINC000072454432 222263574 /nfs/dbraw/zinc/26/35/74/222263574.db2.gz CFEVCQINYMWLTJ-UHFFFAOYSA-N 1 1 387.439 4.559 50 0 GJAAMO Cc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000504196017 533955535 /nfs/dbraw/zinc/95/55/35/533955535.db2.gz QKQZEKKTBGAMSI-NKKJXINNSA-N 1 1 379.500 4.592 50 0 biogenic GJAAMO O=C(c1ccc(-c2cccc(O)c2)cc1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000426649740 534679328 /nfs/dbraw/zinc/67/93/28/534679328.db2.gz RSTDHIJADSIOCL-UHFFFAOYSA-N 1 1 378.516 4.540 50 0 GJAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C1 ZINC000012796030 570217432 /nfs/dbraw/zinc/21/74/32/570217432.db2.gz VMNTVIOWYBVUOX-RYUDHWBXSA-N 1 1 381.904 4.666 50 0 GJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000023309799 570236919 /nfs/dbraw/zinc/23/69/19/570236919.db2.gz XJGPXXBRHYJUOJ-DEOSSOPVSA-N 1 1 388.486 4.682 50 0 GJAAMO O=C(CCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020521986 570265395 /nfs/dbraw/zinc/26/53/95/570265395.db2.gz XEKOXJKJFABGEM-UHFFFAOYSA-N 1 1 384.523 4.553 50 0 GJAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000020861922 570282631 /nfs/dbraw/zinc/28/26/31/570282631.db2.gz RVBLEKUYFGLHRB-QGZVFWFLSA-N 1 1 384.911 4.945 50 0 GJAAMO CCOc1ccccc1Nc1nnc(SCC[C@@H]2CCCC[N@H+]2C)s1 ZINC000032945159 570300420 /nfs/dbraw/zinc/30/04/20/570300420.db2.gz YPQJOUNTLXKVES-AWEZNQCLSA-N 1 1 378.567 4.647 50 0 GJAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Cl)cc1 ZINC000004966437 570383881 /nfs/dbraw/zinc/38/38/81/570383881.db2.gz QSLABPNBZIXEJR-UHFFFAOYSA-N 1 1 385.920 4.768 50 0 GJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000005049757 570405510 /nfs/dbraw/zinc/40/55/10/570405510.db2.gz ISBHLYRFRRCTMQ-UHFFFAOYSA-N 1 1 386.561 4.858 50 0 GJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000004875820 570414752 /nfs/dbraw/zinc/41/47/52/570414752.db2.gz HZZXOJYSKHROPZ-JOCHJYFZSA-N 1 1 386.536 4.702 50 0 GJAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000004988706 570421740 /nfs/dbraw/zinc/42/17/40/570421740.db2.gz ZKCQYAGMILDPDW-UHFFFAOYSA-N 1 1 389.495 4.841 50 0 GJAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000004988706 570421743 /nfs/dbraw/zinc/42/17/43/570421743.db2.gz ZKCQYAGMILDPDW-UHFFFAOYSA-N 1 1 389.495 4.841 50 0 GJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1sc2ccccc2c1Cl ZINC000239539189 570430415 /nfs/dbraw/zinc/43/04/15/570430415.db2.gz AVSLSDOZPVTVDT-SJLPKXTDSA-N 1 1 396.943 5.311 50 0 GJAAMO CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027664504 570439615 /nfs/dbraw/zinc/43/96/15/570439615.db2.gz UUQXPUIKCGLFEU-OAQYLSRUSA-N 1 1 386.923 4.696 50 0 GJAAMO O=C(C[C@@H]1C=CCC1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181353 570486673 /nfs/dbraw/zinc/48/66/73/570486673.db2.gz KWFHNHINWLVEIN-QGZVFWFLSA-N 1 1 384.520 4.555 50 0 GJAAMO CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590920 570490063 /nfs/dbraw/zinc/49/00/63/570490063.db2.gz FMJFHGHKXLDOJU-UHFFFAOYSA-N 1 1 383.923 4.884 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1Cc1cn2c(nnc2-c2cccc(Br)c2)s1 ZINC000002467002 570498579 /nfs/dbraw/zinc/49/85/79/570498579.db2.gz UIOZKHJREUZVTH-GFCCVEGCSA-N 1 1 391.338 4.595 50 0 GJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036031405 570517866 /nfs/dbraw/zinc/51/78/66/570517866.db2.gz DLNXJXJBTZVYHY-NRFANRHFSA-N 1 1 385.504 4.638 50 0 GJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@H+](Cc2ccc(C)cc2C)[C@@H](C)C(C)C)n1 ZINC000036065619 570526740 /nfs/dbraw/zinc/52/67/40/570526740.db2.gz XJEKSRRLXRJKJU-MOPGFXCFSA-N 1 1 385.552 4.866 50 0 GJAAMO CC[C@@H](C)NC(=O)c1coc(C[N@@H+](Cc2ccc(C)cc2C)[C@@H](C)C(C)C)n1 ZINC000036065619 570526743 /nfs/dbraw/zinc/52/67/43/570526743.db2.gz XJEKSRRLXRJKJU-MOPGFXCFSA-N 1 1 385.552 4.866 50 0 GJAAMO COc1ccc(C[N@H+](Cc2cccc(C)c2)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036095323 570534506 /nfs/dbraw/zinc/53/45/06/570534506.db2.gz CEHGEBGQRXPHGF-DEOSSOPVSA-N 1 1 375.512 4.609 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2C)cc1 ZINC000036101752 570539129 /nfs/dbraw/zinc/53/91/29/570539129.db2.gz PWQQPCKTHGJOFC-DEOSSOPVSA-N 1 1 375.512 4.746 50 0 GJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103038 570540138 /nfs/dbraw/zinc/54/01/38/570540138.db2.gz FFKVRIASNBKIPU-JOCHJYFZSA-N 1 1 379.475 4.576 50 0 GJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103038 570540141 /nfs/dbraw/zinc/54/01/41/570540141.db2.gz FFKVRIASNBKIPU-JOCHJYFZSA-N 1 1 379.475 4.576 50 0 GJAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)c1 ZINC000036103963 570540943 /nfs/dbraw/zinc/54/09/43/570540943.db2.gz RMICWCMZWZBILZ-HSZRJFAPSA-N 1 1 397.490 4.615 50 0 GJAAMO 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383.923 4.642 50 0 GJAAMO Cc1nn(C)cc1C[N@H+](C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012573440 570681993 /nfs/dbraw/zinc/68/19/93/570681993.db2.gz CQIGKRXUCVTIKD-UHFFFAOYSA-N 1 1 399.542 4.830 50 0 GJAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012573440 570681996 /nfs/dbraw/zinc/68/19/96/570681996.db2.gz CQIGKRXUCVTIKD-UHFFFAOYSA-N 1 1 399.542 4.830 50 0 GJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000241586390 570687062 /nfs/dbraw/zinc/68/70/62/570687062.db2.gz OVOIFXKKUCJITK-IEBWSBKVSA-N 1 1 375.299 4.750 50 0 GJAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055243418 570688935 /nfs/dbraw/zinc/68/89/35/570688935.db2.gz KYWNUPQZAQQQJD-MRXNPFEDSA-N 1 1 383.492 4.681 50 0 GJAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1c[nH]c2ccccc12 ZINC000058175378 570716453 /nfs/dbraw/zinc/71/64/53/570716453.db2.gz PRWXDWCIPLQTNF-UHFFFAOYSA-N 1 1 375.497 4.840 50 0 GJAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4cnc(C)s4)C3)ccc2c1 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390.531 4.993 50 0 GJAAMO CC(C)c1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012562983 570867151 /nfs/dbraw/zinc/86/71/51/570867151.db2.gz PIQLYXPBMGFSNO-UHFFFAOYSA-N 1 1 379.548 4.871 50 0 GJAAMO CC(C)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012562983 570867153 /nfs/dbraw/zinc/86/71/53/570867153.db2.gz PIQLYXPBMGFSNO-UHFFFAOYSA-N 1 1 379.548 4.871 50 0 GJAAMO CCOc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000103945939 570890768 /nfs/dbraw/zinc/89/07/68/570890768.db2.gz QWVJZHKGDWWDDA-YVHKJVDXSA-N 1 1 384.495 4.627 50 0 GJAAMO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000104744871 570903956 /nfs/dbraw/zinc/90/39/56/570903956.db2.gz DUPBYVGQDLXOTE-QKPAOTATSA-N 1 1 385.577 4.683 50 0 GJAAMO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000104744871 570903959 /nfs/dbraw/zinc/90/39/59/570903959.db2.gz DUPBYVGQDLXOTE-QKPAOTATSA-N 1 1 385.577 4.683 50 0 GJAAMO 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COc1ccccc1[C@H](CNC(=O)c1cccc(Oc2ccccc2)c1)[NH+](C)C ZINC000007671199 571014291 /nfs/dbraw/zinc/01/42/91/571014291.db2.gz ZZHUJUUNTJQZDR-QFIPXVFZSA-N 1 1 390.483 4.520 50 0 GJAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(C)cc23)c(OC)c1 ZINC000007740801 571030402 /nfs/dbraw/zinc/03/04/02/571030402.db2.gz NTLMGFMWYHPHCF-NRFANRHFSA-N 1 1 393.483 4.764 50 0 GJAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCOCC2)cc1 ZINC000001447599 212245764 /nfs/dbraw/zinc/24/57/64/212245764.db2.gz KVCNPJOPNPJDQK-UHFFFAOYSA-N 1 1 390.874 4.578 50 0 GJAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)cc1 ZINC000001109745 212218277 /nfs/dbraw/zinc/21/82/77/212218277.db2.gz SRENHPQUQFDUOU-FQEVSTJZSA-N 1 1 384.483 4.987 50 0 GJAAMO C[N@H+]1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S@@](C)=O)cc21 ZINC000000896650 212194388 /nfs/dbraw/zinc/19/43/88/212194388.db2.gz SLVMESMUVMCQIY-QMTYFTJSSA-N 1 1 386.586 4.901 50 0 world GJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000014123296 207010778 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Cc1sc2[nH]c([C@H](C)Nc3ccc([NH+]4CCCC4)c(C)c3)nc(=O)c2c1C ZINC000030448707 207371531 /nfs/dbraw/zinc/37/15/31/207371531.db2.gz ZKYRLMXLAJPNJE-AWEZNQCLSA-N 1 1 382.533 4.683 50 0 GJAAMO O=C(c1c[nH+]c2ccccc2c1NCc1cc(F)cc(F)c1)N1CCCCC1 ZINC000072328449 207996934 /nfs/dbraw/zinc/99/69/34/207996934.db2.gz DOHTZKMTQRAOGA-UHFFFAOYSA-N 1 1 381.426 4.751 50 0 GJAAMO CC(=O)c1cc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cs1 ZINC000077539091 208049238 /nfs/dbraw/zinc/04/92/38/208049238.db2.gz HWFJAZUMZHYSTC-UHFFFAOYSA-N 1 1 383.492 4.860 50 0 GJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000072410821 208018063 /nfs/dbraw/zinc/01/80/63/208018063.db2.gz DQBMXJBBDQTQDO-UHFFFAOYSA-N 1 1 384.483 4.500 50 0 GJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000072410821 208018068 /nfs/dbraw/zinc/01/80/68/208018068.db2.gz DQBMXJBBDQTQDO-UHFFFAOYSA-N 1 1 384.483 4.500 50 0 GJAAMO COc1ccc2cc(C[N@H+]3CCC[C@H](CO)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072431178 208024408 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0 GJAAMO C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)C(c1ccccc1)c1ccccc1 ZINC000032753325 208991272 /nfs/dbraw/zinc/99/12/72/208991272.db2.gz WHOJKGUIQDBPQB-UHFFFAOYSA-N 1 1 377.488 4.632 50 0 GJAAMO C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)C(c1ccccc1)c1ccccc1 ZINC000032753325 208991275 /nfs/dbraw/zinc/99/12/75/208991275.db2.gz WHOJKGUIQDBPQB-UHFFFAOYSA-N 1 1 377.488 4.632 50 0 GJAAMO C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000008172949 221029367 /nfs/dbraw/zinc/02/93/67/221029367.db2.gz CTSLWNNBOFHPMF-LLVKDONJSA-N 1 1 392.735 4.771 50 0 GJAAMO COc1ccc(C(=O)CN(c2cc(C)ccc2C)C2=[NH+]CCCCC2)cc1OC ZINC000008410733 221040686 /nfs/dbraw/zinc/04/06/86/221040686.db2.gz SAZKDEANGHMQST-UHFFFAOYSA-N 1 1 394.515 4.982 50 0 GJAAMO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)ccc1C ZINC000011841290 221132134 /nfs/dbraw/zinc/13/21/34/221132134.db2.gz PDDNFRHINCIARC-XMMPIXPASA-N 1 1 384.564 4.512 50 0 GJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c1 ZINC000011661009 221118556 /nfs/dbraw/zinc/11/85/56/221118556.db2.gz NQKJJRGKVFUPAO-SFHVURJKSA-N 1 1 382.479 4.659 50 0 GJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCCc2ccccc2)C1 ZINC000011874612 221135132 /nfs/dbraw/zinc/13/51/32/221135132.db2.gz DEXLEDUENKTPCE-DEOSSOPVSA-N 1 1 392.587 4.731 50 0 GJAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccnc3)C2)c1 ZINC000011712192 221123411 /nfs/dbraw/zinc/12/34/11/221123411.db2.gz GBJKUOQXEBKSJG-QFIPXVFZSA-N 1 1 399.538 4.699 50 0 GJAAMO Cc1occc1C(=O)N1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000011944603 221140691 /nfs/dbraw/zinc/14/06/91/221140691.db2.gz CELSGJWLDGNUFB-LJQANCHMSA-N 1 1 386.923 4.616 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1OC ZINC000012049466 221144416 /nfs/dbraw/zinc/14/44/16/221144416.db2.gz NKQHOMVFEXOFCG-HXUWFJFHSA-N 1 1 397.515 4.586 50 0 GJAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCOc3c(O)cc(-c4ccccn4)cc3C2)o1 ZINC000012048255 221144855 /nfs/dbraw/zinc/14/48/55/221144855.db2.gz UMPFJHLGVMDGDA-INIZCTEOSA-N 1 1 378.472 4.744 50 0 GJAAMO Cc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012202110 221166379 /nfs/dbraw/zinc/16/63/79/221166379.db2.gz BSTBOOUJJGOXAG-IBGZPJMESA-N 1 1 396.962 4.708 50 0 GJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Nc2ccccc2C)C1 ZINC000012571430 221208933 /nfs/dbraw/zinc/20/89/33/221208933.db2.gz XSGPVLBCHRIGEQ-NRFANRHFSA-N 1 1 379.548 4.722 50 0 GJAAMO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(C)o3)oc2C)c2cccnc12 ZINC000015077891 221332779 /nfs/dbraw/zinc/33/27/79/221332779.db2.gz UFPVDJFGIUUSGH-UHFFFAOYSA-N 1 1 377.444 4.740 50 0 GJAAMO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(C)o3)oc2C)c2cccnc12 ZINC000015077891 221332781 /nfs/dbraw/zinc/33/27/81/221332781.db2.gz UFPVDJFGIUUSGH-UHFFFAOYSA-N 1 1 377.444 4.740 50 0 GJAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@H+]1CCN(c2ccccc2)C[C@@H]1C ZINC000015064315 221328372 /nfs/dbraw/zinc/32/83/72/221328372.db2.gz SLQLHSGZLAVRNB-HNNXBMFYSA-N 1 1 383.442 4.639 50 0 GJAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@@H+]1CCN(c2ccccc2)C[C@@H]1C ZINC000015064315 221328374 /nfs/dbraw/zinc/32/83/74/221328374.db2.gz SLQLHSGZLAVRNB-HNNXBMFYSA-N 1 1 383.442 4.639 50 0 GJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+]2CCCCC2)o1 ZINC000015860451 221348960 /nfs/dbraw/zinc/34/89/60/221348960.db2.gz GMEULRRBMCLEQA-HXUWFJFHSA-N 1 1 393.487 4.508 50 0 GJAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000055183088 222016626 /nfs/dbraw/zinc/01/66/26/222016626.db2.gz OLGYMRUNUSMBEB-INIZCTEOSA-N 1 1 399.947 4.991 50 0 GJAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000055183088 222016632 /nfs/dbraw/zinc/01/66/32/222016632.db2.gz OLGYMRUNUSMBEB-INIZCTEOSA-N 1 1 399.947 4.991 50 0 GJAAMO Fc1ccc(-c2csc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000055510591 222022865 /nfs/dbraw/zinc/02/28/65/222022865.db2.gz VJTZZMJRLADZRZ-QPJJXVBHSA-N 1 1 379.504 4.785 50 0 GJAAMO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)c1ccccc1 ZINC000058298067 222048755 /nfs/dbraw/zinc/04/87/55/222048755.db2.gz CUFHDYCETLCCHF-CQSZACIVSA-N 1 1 381.303 4.642 50 0 GJAAMO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)c1ccccc1 ZINC000058298067 222048758 /nfs/dbraw/zinc/04/87/58/222048758.db2.gz CUFHDYCETLCCHF-CQSZACIVSA-N 1 1 381.303 4.642 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)cc(C)[nH+]1 ZINC000064801253 222082202 /nfs/dbraw/zinc/08/22/02/222082202.db2.gz GGHODSKPTJEZDZ-UHFFFAOYSA-N 1 1 376.464 4.913 50 0 GJAAMO CSc1ccc2cc(C[N@H+]3CC[C@@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072428888 222258521 /nfs/dbraw/zinc/25/85/21/222258521.db2.gz FZUTVHGZFMIERS-GOSISDBHSA-N 1 1 384.932 4.844 50 0 GJAAMO O=C(NCc1nccs1)c1ccc([C@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000023505199 526831468 /nfs/dbraw/zinc/83/14/68/526831468.db2.gz HYRUOCGSOFAGKG-OAHLLOKOSA-N 1 1 375.563 4.604 50 0 GJAAMO C[C@H]1CN(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000019889047 570227503 /nfs/dbraw/zinc/22/75/03/570227503.db2.gz LMMVZOBRCFQJEF-PMACEKPBSA-N 1 1 380.532 4.553 50 0 GJAAMO c1cc([C@@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)n[nH]1 ZINC000020455149 570258576 /nfs/dbraw/zinc/25/85/76/570258576.db2.gz OPAXHCFSELFXJI-HXUWFJFHSA-N 1 1 383.499 4.642 50 0 GJAAMO c1cc([C@@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)[nH]n1 ZINC000020455149 570258577 /nfs/dbraw/zinc/25/85/77/570258577.db2.gz OPAXHCFSELFXJI-HXUWFJFHSA-N 1 1 383.499 4.642 50 0 GJAAMO c1cc([C@@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)[nH]n1 ZINC000020455149 570258581 /nfs/dbraw/zinc/25/85/81/570258581.db2.gz OPAXHCFSELFXJI-HXUWFJFHSA-N 1 1 383.499 4.642 50 0 GJAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000026121105 570281323 /nfs/dbraw/zinc/28/13/23/570281323.db2.gz HKAQTWDSAPFIFI-UHFFFAOYSA-N 1 1 396.922 4.948 50 0 GJAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000026121086 570281465 /nfs/dbraw/zinc/28/14/65/570281465.db2.gz JGAYUPHUDRBBJI-UHFFFAOYSA-N 1 1 376.504 4.603 50 0 GJAAMO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](CCCc4ccccc4)C3)CC2)c1 ZINC000020907921 570284117 /nfs/dbraw/zinc/28/41/17/570284117.db2.gz ANPZQPDFQSWOBU-DEOSSOPVSA-N 1 1 397.994 4.559 50 0 GJAAMO Cc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCC(C)CC4)cc3)sc2c1 ZINC000002396225 570285976 /nfs/dbraw/zinc/28/59/76/570285976.db2.gz NEOVPEUGWGKLTF-UHFFFAOYSA-N 1 1 379.529 4.942 50 0 GJAAMO Cc1ccc([C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)cc1 ZINC000034740412 570327347 /nfs/dbraw/zinc/32/73/47/570327347.db2.gz TZNFWXYOBBKSAO-VWNXMTODSA-N 1 1 396.575 4.944 50 0 GJAAMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938407 570375144 /nfs/dbraw/zinc/37/51/44/570375144.db2.gz UBNZJXVFQNQRPD-UHFFFAOYSA-N 1 1 375.925 4.565 50 0 GJAAMO CCOc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](C)([NH+]2CCCC2)[C@@H]1C)OCO3 ZINC000033701658 570400579 /nfs/dbraw/zinc/40/05/79/570400579.db2.gz LPWYMVXRDVBDOS-GRFCFPJTSA-N 1 1 395.499 4.786 50 0 GJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1 ZINC000005035010 570403614 /nfs/dbraw/zinc/40/36/14/570403614.db2.gz QFRGNRWFVQQQNV-KRWDZBQOSA-N 1 1 399.966 4.761 50 0 GJAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000004875824 570414821 /nfs/dbraw/zinc/41/48/21/570414821.db2.gz HZZXOJYSKHROPZ-QFIPXVFZSA-N 1 1 386.536 4.702 50 0 GJAAMO COc1cc(C[NH2+]Cc2ccccn2)cc(Cl)c1OCc1ccccc1F ZINC000004935198 570418683 /nfs/dbraw/zinc/41/86/83/570418683.db2.gz XVGNMNFGHIDKOU-UHFFFAOYSA-N 1 1 386.854 4.752 50 0 GJAAMO CC[N@H+](CCCOc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000027563843 570435795 /nfs/dbraw/zinc/43/57/95/570435795.db2.gz DCVDAUYGDKFPJT-UHFFFAOYSA-N 1 1 381.303 4.723 50 0 GJAAMO CC[N@@H+](CCCOc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000027563843 570435798 /nfs/dbraw/zinc/43/57/98/570435798.db2.gz DCVDAUYGDKFPJT-UHFFFAOYSA-N 1 1 381.303 4.723 50 0 GJAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000072273612 570453623 /nfs/dbraw/zinc/45/36/23/570453623.db2.gz MTBDWXRKRMMROS-JOCHJYFZSA-N 1 1 394.563 4.862 50 0 GJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)c(OC)c1 ZINC000005162418 570462974 /nfs/dbraw/zinc/46/29/74/570462974.db2.gz MVSZIESXWTZSRG-ZTCOLXNVSA-N 1 1 399.506 4.711 50 0 GJAAMO COc1cccc(OC)c1OCCCCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006624370 570508770 /nfs/dbraw/zinc/50/87/70/570508770.db2.gz BLBPHQYKPLLCEP-HXUWFJFHSA-N 1 1 384.520 4.875 50 0 biogenic GJAAMO C[N@H+]1CCC[C@H](COC(=O)CCc2ccco2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822800 570509787 /nfs/dbraw/zinc/50/97/87/570509787.db2.gz XWSHGVUTEFJWQX-UZLBHIALSA-N 1 1 395.421 4.857 50 0 GJAAMO CC(C)CC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031077 570517276 /nfs/dbraw/zinc/51/72/76/570517276.db2.gz CTMUPZCITTVMFQ-IBGZPJMESA-N 1 1 379.903 4.767 50 0 GJAAMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018668 570518067 /nfs/dbraw/zinc/51/80/67/570518067.db2.gz KCRDWKRKZNLJNF-UHFFFAOYSA-N 1 1 381.472 4.531 50 0 GJAAMO CN(C)CCC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000006662240 570525839 /nfs/dbraw/zinc/52/58/39/570525839.db2.gz RBXMWPWASVANNY-UYAOXDASSA-N 1 1 381.004 4.635 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036101976 570539085 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Cn1c(C[N@@H+](C)CC2CCCCC2)nnc1SCc1ccccc1Cl ZINC000012457478 221198093 /nfs/dbraw/zinc/19/80/93/221198093.db2.gz WPBXJHOOHWCICC-UHFFFAOYSA-N 1 1 378.973 4.773 50 0 GJAAMO CN(Cc1ccco1)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012715330 221221387 /nfs/dbraw/zinc/22/13/87/221221387.db2.gz YROHGKAOEWGSDX-GOSISDBHSA-N 1 1 380.454 4.685 50 0 GJAAMO COc1cc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c(OC)cc1Cl ZINC000012871695 221240426 /nfs/dbraw/zinc/24/04/26/221240426.db2.gz GUSSQVLBFXBLHB-UHFFFAOYSA-N 1 1 398.890 4.581 50 0 GJAAMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c(OC)cc1Cl ZINC000012871695 221240429 /nfs/dbraw/zinc/24/04/29/221240429.db2.gz GUSSQVLBFXBLHB-UHFFFAOYSA-N 1 1 398.890 4.581 50 0 GJAAMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000013322769 221265460 /nfs/dbraw/zinc/26/54/60/221265460.db2.gz JFSFHGGGAOHBRW-UHFFFAOYSA-N 1 1 385.939 4.987 50 0 GJAAMO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cc(F)c(Cl)cc1Cl ZINC000013038726 221259528 /nfs/dbraw/zinc/25/95/28/221259528.db2.gz CLAPQDXKOALYEU-MRVPVSSYSA-N 1 1 377.193 4.700 50 0 GJAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(SC)c3)C2)cc1OC ZINC000014962126 221322361 /nfs/dbraw/zinc/32/23/61/221322361.db2.gz KJGHXEBKQLDFLQ-GOSISDBHSA-N 1 1 385.529 4.521 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@H+](CCCC(F)(F)F)C1)NCc1ccccc1Cl ZINC000014957814 221320196 /nfs/dbraw/zinc/32/01/96/221320196.db2.gz IOVXAIAEROZHIO-HNNXBMFYSA-N 1 1 390.877 4.791 50 0 GJAAMO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](C3C4CC5CC(C4)CC3C5)C2)o1 ZINC000015063007 221327524 /nfs/dbraw/zinc/32/75/24/221327524.db2.gz DPFSNROVIAGSSI-LEBZOEITSA-N 1 1 384.564 4.521 50 0 GJAAMO C/C=C(\C)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 ZINC000015067051 221329270 /nfs/dbraw/zinc/32/92/70/221329270.db2.gz JMMSBZIRLZCNII-KZVITGMHSA-N 1 1 378.516 4.979 50 0 GJAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCCC2)o1 ZINC000015860475 221349327 /nfs/dbraw/zinc/34/93/27/221349327.db2.gz FCTFAMSUGRFHNI-GOSISDBHSA-N 1 1 380.488 4.826 50 0 GJAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000019146646 221399062 /nfs/dbraw/zinc/39/90/62/221399062.db2.gz MIAUZXMRRCJROG-IBGZPJMESA-N 1 1 379.479 4.994 50 0 GJAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241644375 533358201 /nfs/dbraw/zinc/35/82/01/533358201.db2.gz PQGBIFMTTCGWLW-KKSFZXQISA-N 1 1 390.483 4.738 50 0 GJAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241644375 533358208 /nfs/dbraw/zinc/35/82/08/533358208.db2.gz PQGBIFMTTCGWLW-KKSFZXQISA-N 1 1 390.483 4.738 50 0 GJAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000241409035 533625906 /nfs/dbraw/zinc/62/59/06/533625906.db2.gz NDZUGOXLYJEPGN-JXFKEZNVSA-N 1 1 390.483 4.656 50 0 GJAAMO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccccc4F)CC3)c2cc1C(C)C ZINC000058165798 136154702 /nfs/dbraw/zinc/15/47/02/136154702.db2.gz NLWYQPYKHRMXPN-UHFFFAOYSA-N 1 1 394.490 4.686 50 0 GJAAMO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037587629 221873942 /nfs/dbraw/zinc/87/39/42/221873942.db2.gz TYSXXTMMGDMLDK-UHFFFAOYSA-N 1 1 390.449 4.758 50 0 GJAAMO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cccs2)c2ccccc2)cc1Cl ZINC000057024551 222028133 /nfs/dbraw/zinc/02/81/33/222028133.db2.gz QTECOGXLLVSZKI-IBGZPJMESA-N 1 1 386.904 4.880 50 0 GJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000055182808 222016468 /nfs/dbraw/zinc/01/64/68/222016468.db2.gz PKJYRMCUFWIDKI-UHFFFAOYSA-N 1 1 378.863 4.879 50 0 GJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+](C)Cc1ccc2nccnc2c1 ZINC000055182808 222016471 /nfs/dbraw/zinc/01/64/71/222016471.db2.gz PKJYRMCUFWIDKI-UHFFFAOYSA-N 1 1 378.863 4.879 50 0 GJAAMO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3ccccc3C)nc2)cnn1-c1ccccc1 ZINC000055370905 222019629 /nfs/dbraw/zinc/01/96/29/222019629.db2.gz QHRQZABVFBBKOP-SFHVURJKSA-N 1 1 383.499 4.797 50 0 GJAAMO CCC[NH+]1CCN(C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)CC1 ZINC000058083213 222038709 /nfs/dbraw/zinc/03/87/09/222038709.db2.gz KGZMHDRJTXZSQD-UHFFFAOYSA-N 1 1 392.977 4.842 50 0 GJAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)CCOc1ccccc1F ZINC000058289242 222047784 /nfs/dbraw/zinc/04/77/84/222047784.db2.gz ZEWILXLKRKVUNG-CYBMUJFWSA-N 1 1 375.831 4.601 50 0 GJAAMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)CCOc1ccccc1F ZINC000058289242 222047789 /nfs/dbraw/zinc/04/77/89/222047789.db2.gz ZEWILXLKRKVUNG-CYBMUJFWSA-N 1 1 375.831 4.601 50 0 GJAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000064590882 222074696 /nfs/dbraw/zinc/07/46/96/222074696.db2.gz KAMVKUJJFGJDGD-UHFFFAOYSA-N 1 1 383.495 4.514 50 0 GJAAMO Cc1nc2sccn2c1-c1c(-c2ccccc2)ncn1CC[C@H]1CCC[N@@H+]1C ZINC000065375674 222126872 /nfs/dbraw/zinc/12/68/72/222126872.db2.gz HAIBSWOAFVAONZ-GOSISDBHSA-N 1 1 391.544 4.719 50 0 GJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccnc1SC1CCCC1 ZINC000069950871 222174114 /nfs/dbraw/zinc/17/41/14/222174114.db2.gz QBHRQWIGGDOLGI-IBGZPJMESA-N 1 1 399.560 4.666 50 0 GJAAMO Cc1ccccc1Nc1ncc(C[NH2+]Cc2cc(-c3ccccn3)no2)s1 ZINC000082039483 222306373 /nfs/dbraw/zinc/30/63/73/222306373.db2.gz JBJMPTHTMJNNHH-UHFFFAOYSA-N 1 1 377.473 4.535 50 0 GJAAMO O=C(CCC1CC[NH+](Cc2cscn2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000095519265 222346413 /nfs/dbraw/zinc/34/64/13/222346413.db2.gz UFOSUFGUHZRRIG-UHFFFAOYSA-N 1 1 381.904 4.567 50 0 GJAAMO CSc1ccccc1C(=O)N(C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012570251 526147478 /nfs/dbraw/zinc/14/74/78/526147478.db2.gz LDNYKKMZIQRADR-HXUWFJFHSA-N 1 1 382.573 4.578 50 0 GJAAMO O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019827568 570223148 /nfs/dbraw/zinc/22/31/48/570223148.db2.gz XHQJYSCHUQBXDN-LOSJGSFVSA-N 1 1 396.534 4.724 50 0 GJAAMO COc1ccc2oc(C)c(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)c2c1 ZINC000048333488 570237505 /nfs/dbraw/zinc/23/75/05/570237505.db2.gz JQXDRHBJIDLVCZ-UHFFFAOYSA-N 1 1 380.488 4.520 50 0 GJAAMO O=C(c1ccc(F)cc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020421509 570255355 /nfs/dbraw/zinc/25/53/55/570255355.db2.gz BWRVCRLJMJUGSS-UHFFFAOYSA-N 1 1 392.449 4.512 50 0 GJAAMO COc1cccc2ccc(C[NH+]3CCC(c4nc5ccc(F)cc5[nH]4)CC3)nc21 ZINC000215759700 570291441 /nfs/dbraw/zinc/29/14/41/570291441.db2.gz XHBQRUNPRFTJTP-UHFFFAOYSA-N 1 1 390.462 4.638 50 0 GJAAMO COCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002715125 570295778 /nfs/dbraw/zinc/29/57/78/570295778.db2.gz ICLDCYUKENCFMH-UHFFFAOYSA-N 1 1 378.863 4.799 50 0 GJAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3ccco3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711224 570303181 /nfs/dbraw/zinc/30/31/81/570303181.db2.gz KIVOUUAFIYSHDM-DHIUTWEWSA-N 1 1 388.511 4.510 50 0 GJAAMO COc1ccccc1/C=C/C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003682048 570350296 /nfs/dbraw/zinc/35/02/96/570350296.db2.gz KQUFEOVXTXCHFF-FNORWQNLSA-N 1 1 376.422 4.549 50 0 GJAAMO CC[N@@H+]1CCc2c(sc(NC(=O)C(C)C)c2-c2nc3ccccc3s2)C1 ZINC000033077521 570401567 /nfs/dbraw/zinc/40/15/67/570401567.db2.gz UYWOFLZLQHZECZ-UHFFFAOYSA-N 1 1 385.558 4.997 50 0 GJAAMO CC[N@H+]1CCc2c(sc(NC(=O)C(C)C)c2-c2nc3ccccc3s2)C1 ZINC000033077521 570401568 /nfs/dbraw/zinc/40/15/68/570401568.db2.gz UYWOFLZLQHZECZ-UHFFFAOYSA-N 1 1 385.558 4.997 50 0 GJAAMO C[C@@H]([NH2+]CC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1ccco1 ZINC000024985058 570401610 /nfs/dbraw/zinc/40/16/10/570401610.db2.gz QRHDYFKUAHGKTE-APWZRJJASA-N 1 1 378.497 4.810 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000006438666 570418258 /nfs/dbraw/zinc/41/82/58/570418258.db2.gz QTBJJNCXYOERND-LJQANCHMSA-N 1 1 397.475 4.954 50 0 GJAAMO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)n(-c2ccccc2)n1 ZINC000242273730 570432522 /nfs/dbraw/zinc/43/25/22/570432522.db2.gz YFLXIDPCNZJUOK-MOPGFXCFSA-N 1 1 394.563 4.620 50 0 GJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000005274706 570433000 /nfs/dbraw/zinc/43/30/00/570433000.db2.gz OAUFRWZHHBEZHY-SFHVURJKSA-N 1 1 399.903 4.504 50 0 GJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000005274706 570433002 /nfs/dbraw/zinc/43/30/02/570433002.db2.gz OAUFRWZHHBEZHY-SFHVURJKSA-N 1 1 399.903 4.504 50 0 GJAAMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000248093787 570439590 /nfs/dbraw/zinc/43/95/90/570439590.db2.gz CQPDJPZKKZTSOW-JPYJTQIMSA-N 1 1 389.499 4.982 50 0 GJAAMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000248093787 570439592 /nfs/dbraw/zinc/43/95/92/570439592.db2.gz CQPDJPZKKZTSOW-JPYJTQIMSA-N 1 1 389.499 4.982 50 0 GJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000006508780 570461396 /nfs/dbraw/zinc/46/13/96/570461396.db2.gz OVOIFXKKUCJITK-MJGOQNOKSA-N 1 1 375.299 4.750 50 0 GJAAMO OCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002714415 570509250 /nfs/dbraw/zinc/50/92/50/570509250.db2.gz CMBQJOOWXIEKJY-UHFFFAOYSA-N 1 1 378.863 4.535 50 0 GJAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)C(C)C)cc1 ZINC000036063915 570526288 /nfs/dbraw/zinc/52/62/88/570526288.db2.gz BWBMPPXQRDVBCW-GOSISDBHSA-N 1 1 395.503 4.553 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)C(C)C)cc1 ZINC000036063915 570526290 /nfs/dbraw/zinc/52/62/90/570526290.db2.gz BWBMPPXQRDVBCW-GOSISDBHSA-N 1 1 395.503 4.553 50 0 GJAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1csc(-c2ccccn2)n1 ZINC000072308344 570527717 /nfs/dbraw/zinc/52/77/17/570527717.db2.gz OVLSDGAQRDYFTL-AVRDEDQJSA-N 1 1 392.572 4.548 50 0 GJAAMO C[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000034801143 570544481 /nfs/dbraw/zinc/54/44/81/570544481.db2.gz VKSABQUVIAQQOB-PXNSSMCTSA-N 1 1 379.525 4.774 50 0 GJAAMO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907872 570563923 /nfs/dbraw/zinc/56/39/23/570563923.db2.gz FONLCULXJQRIRO-NRFANRHFSA-N 1 1 376.525 4.586 50 0 GJAAMO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907872 570563926 /nfs/dbraw/zinc/56/39/26/570563926.db2.gz FONLCULXJQRIRO-NRFANRHFSA-N 1 1 376.525 4.586 50 0 GJAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000022907714 570563994 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384.892 4.739 50 0 GJAAMO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCCC[C@H]3c3ccccn3)c(C)o2)c1 ZINC000011668040 212078133 /nfs/dbraw/zinc/07/81/33/212078133.db2.gz DYVASEYIKAVCSK-NRFANRHFSA-N 1 1 393.487 4.789 50 0 GJAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCCC[C@H]3c3ccccn3)c(C)o2)c1 ZINC000011668040 212078136 /nfs/dbraw/zinc/07/81/36/212078136.db2.gz DYVASEYIKAVCSK-NRFANRHFSA-N 1 1 393.487 4.789 50 0 GJAAMO Cc1cccc(N2CCC([NH+]3CC[C@]4(C3)CCC[N@@H+](CC3CCC3)C4)CC2)c1 ZINC000011821709 206225260 /nfs/dbraw/zinc/22/52/60/206225260.db2.gz ZYAXHGNGGZDGHD-RUZDIDTESA-N 1 1 381.608 4.552 50 0 GJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCSCC3)cc2)c1 ZINC000011948334 206845210 /nfs/dbraw/zinc/84/52/10/206845210.db2.gz GYIIRFWZWTUOSA-JOCHJYFZSA-N 1 1 396.556 4.661 50 0 GJAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)cc1OC ZINC000014979345 207036191 /nfs/dbraw/zinc/03/61/91/207036191.db2.gz PBTKZXAJBUGOMB-SFHVURJKSA-N 1 1 379.456 4.545 50 0 GJAAMO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)ccc1O 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1 1 388.511 4.805 50 0 GJAAMO COc1cccc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000019359706 207118500 /nfs/dbraw/zinc/11/85/00/207118500.db2.gz WXXAWTDUWDOAHX-UHFFFAOYSA-N 1 1 388.511 4.805 50 0 GJAAMO Fc1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019842749 207166882 /nfs/dbraw/zinc/16/68/82/207166882.db2.gz KTIAFSWPEJLWHW-UHFFFAOYSA-N 1 1 390.527 4.908 50 0 GJAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCCC[C@H]1CCn1cccn1 ZINC000020861926 207216386 /nfs/dbraw/zinc/21/63/86/207216386.db2.gz RVBLEKUYFGLHRB-KRWDZBQOSA-N 1 1 384.911 4.945 50 0 GJAAMO O=c1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)nc2scc(-c3ccccc3)n21 ZINC000021473124 207230076 /nfs/dbraw/zinc/23/00/76/207230076.db2.gz NRUIMKAXLOYOMA-QGZVFWFLSA-N 1 1 393.537 4.822 50 0 GJAAMO O=c1cc(C[N@H+]2CCC[C@@H]2c2cccs2)nc2scc(-c3ccccc3)n21 ZINC000021473124 207230080 /nfs/dbraw/zinc/23/00/80/207230080.db2.gz NRUIMKAXLOYOMA-QGZVFWFLSA-N 1 1 393.537 4.822 50 0 GJAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000021659277 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CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H]3c3cccs3)cc(=O)oc2c1 ZINC000025424059 207303296 /nfs/dbraw/zinc/30/32/96/207303296.db2.gz NBRDFACTBAKEED-QGZVFWFLSA-N 1 1 398.484 4.760 50 0 GJAAMO FC(F)(F)c1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000029842892 207367008 /nfs/dbraw/zinc/36/70/08/207367008.db2.gz WYIYZOXWNYJKBL-UHFFFAOYSA-N 1 1 377.435 4.637 50 0 GJAAMO Cc1cc([C@@H](c2cccnc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545882 207558248 /nfs/dbraw/zinc/55/82/48/207558248.db2.gz SDQDWNGNUAXBKF-LJQANCHMSA-N 1 1 381.501 4.872 50 0 GJAAMO COc1ccc2cc(C[N@H+]3CCC[C@@H]3CO)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072426647 208021920 /nfs/dbraw/zinc/02/19/20/208021920.db2.gz VYODULNMRDNEGF-LJQANCHMSA-N 1 1 382.891 4.521 50 0 GJAAMO COc1ccc2c(C)cc3nn(C[N@@H+]4CCC[C@@H]5CCCC[C@H]54)c(=S)n3c2c1 ZINC000229996125 209003419 /nfs/dbraw/zinc/00/34/19/209003419.db2.gz VEAGFMGVFNJHKI-QFBILLFUSA-N 1 1 396.560 4.948 50 0 GJAAMO COc1ccc2c(C)cc3nn(C[N@H+]4CCC[C@@H]5CCCC[C@H]54)c(=S)n3c2c1 ZINC000229996125 209003422 /nfs/dbraw/zinc/00/34/22/209003422.db2.gz VEAGFMGVFNJHKI-QFBILLFUSA-N 1 1 396.560 4.948 50 0 GJAAMO CCc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccc(OC)cc3OC)cc(=O)oc2c1 ZINC000007739821 221008825 /nfs/dbraw/zinc/00/88/25/221008825.db2.gz PFVZMMCABYYNLK-OAQYLSRUSA-N 1 1 393.483 4.710 50 0 GJAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000008039737 221024458 /nfs/dbraw/zinc/02/44/58/221024458.db2.gz KJQAQKIOOUAZNX-QGZVFWFLSA-N 1 1 398.528 4.955 50 0 GJAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000008039737 221024459 /nfs/dbraw/zinc/02/44/59/221024459.db2.gz KJQAQKIOOUAZNX-QGZVFWFLSA-N 1 1 398.528 4.955 50 0 GJAAMO COc1ccc(-c2nc3ccccc3c(NCC[N@@H+](C)C3CCCCC3)n2)cc1 ZINC000009527063 221084446 /nfs/dbraw/zinc/08/44/46/221084446.db2.gz JFWHYFIPLFHKIF-UHFFFAOYSA-N 1 1 390.531 4.982 50 0 GJAAMO COC[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000011816901 221128528 /nfs/dbraw/zinc/12/85/28/221128528.db2.gz OQNJZVOSYROEHZ-KRWDZBQOSA-N 1 1 399.535 4.825 50 0 GJAAMO CCc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)nc1 ZINC000012317420 221181708 /nfs/dbraw/zinc/18/17/08/221181708.db2.gz QMZOAQYYOGXXCO-UHFFFAOYSA-N 1 1 386.499 4.828 50 0 GJAAMO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc2ccccc21 ZINC000012507308 221199959 /nfs/dbraw/zinc/19/99/59/221199959.db2.gz WGBUMOSOXHQVHO-LJQANCHMSA-N 1 1 376.475 4.621 50 0 GJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)cc1 ZINC000012574270 221208742 /nfs/dbraw/zinc/20/87/42/221208742.db2.gz CZBDKRBQEWXAQO-QGZVFWFLSA-N 1 1 397.569 4.751 50 0 GJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)cc1 ZINC000012574270 221208745 /nfs/dbraw/zinc/20/87/45/221208745.db2.gz CZBDKRBQEWXAQO-QGZVFWFLSA-N 1 1 397.569 4.751 50 0 GJAAMO C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000012692091 221218024 /nfs/dbraw/zinc/21/80/24/221218024.db2.gz OSDHJYNXFKBBSR-GOSISDBHSA-N 1 1 376.475 4.802 50 0 GJAAMO C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000012692091 221218028 /nfs/dbraw/zinc/21/80/28/221218028.db2.gz OSDHJYNXFKBBSR-GOSISDBHSA-N 1 1 376.475 4.802 50 0 GJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000012729816 221222624 /nfs/dbraw/zinc/22/26/24/221222624.db2.gz QEGOGFGBQIFWEZ-LJQANCHMSA-N 1 1 392.858 4.997 50 0 GJAAMO C[N@@H+](Cc1ccccc1Cl)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941970 221249331 /nfs/dbraw/zinc/24/93/31/221249331.db2.gz VVJURLLEAVDOSS-NRFANRHFSA-N 1 1 381.903 4.879 50 0 GJAAMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941970 221249333 /nfs/dbraw/zinc/24/93/33/221249333.db2.gz VVJURLLEAVDOSS-NRFANRHFSA-N 1 1 381.903 4.879 50 0 GJAAMO CCOc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000012989919 221253410 /nfs/dbraw/zinc/25/34/10/221253410.db2.gz GSYDAPKLYFEQJX-NRFANRHFSA-N 1 1 382.504 4.650 50 0 GJAAMO CCOc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000012989919 221253414 /nfs/dbraw/zinc/25/34/14/221253414.db2.gz GSYDAPKLYFEQJX-NRFANRHFSA-N 1 1 382.504 4.650 50 0 GJAAMO CCCCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1 ZINC000013041257 221258626 /nfs/dbraw/zinc/25/86/26/221258626.db2.gz HBHINKLHMQMSLK-HNNXBMFYSA-N 1 1 388.895 4.586 50 0 GJAAMO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000014085788 221298253 /nfs/dbraw/zinc/29/82/53/221298253.db2.gz LDAOXKVMFNTBQB-VWLOTQADSA-N 1 1 388.511 4.884 50 0 GJAAMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(OCCO)cc1)C[C@@H](c1ccsc1)O2 ZINC000014951674 221320687 /nfs/dbraw/zinc/32/06/87/221320687.db2.gz GULDGPKLUVJVSM-QHCPKHFHSA-N 1 1 395.524 4.564 50 0 GJAAMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000015077797 221332711 /nfs/dbraw/zinc/33/27/11/221332711.db2.gz FLNJDXLZRGRLMD-INIZCTEOSA-N 1 1 385.920 4.682 50 0 GJAAMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000015077797 221332712 /nfs/dbraw/zinc/33/27/12/221332712.db2.gz FLNJDXLZRGRLMD-INIZCTEOSA-N 1 1 385.920 4.682 50 0 GJAAMO Cc1ccc2c(c1)C[N@H+](Cc1cccc(OCCO)c1)C[C@@H](c1ccsc1)O2 ZINC000015000413 221325815 /nfs/dbraw/zinc/32/58/15/221325815.db2.gz IIKHHGQWPGKFNP-QHCPKHFHSA-N 1 1 395.524 4.564 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000015064599 221327708 /nfs/dbraw/zinc/32/77/08/221327708.db2.gz UDVGWLMZGGPZFN-INIZCTEOSA-N 1 1 391.437 4.731 50 0 GJAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3c(C)nn(C(C)C)c3C)C2)cc1C ZINC000015063237 221327847 /nfs/dbraw/zinc/32/78/47/221327847.db2.gz ZCJTVNHYGALHJL-HXUWFJFHSA-N 1 1 397.563 4.801 50 0 GJAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2cccc3nccnc23)C1 ZINC000015070714 221329638 /nfs/dbraw/zinc/32/96/38/221329638.db2.gz VVTPJYMHIJGARE-QGZVFWFLSA-N 1 1 399.416 4.744 50 0 GJAAMO c1ccc(C(c2noc3c2C[N@@H+]([C@@H]2CCSC2)CC3)c2ccccc2)cc1 ZINC000015070741 221329912 /nfs/dbraw/zinc/32/99/12/221329912.db2.gz JDZFZROVDPWREE-LJQANCHMSA-N 1 1 376.525 4.718 50 0 GJAAMO Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000015065963 221330224 /nfs/dbraw/zinc/33/02/24/221330224.db2.gz PNGCEGWYTWVFPB-SFHVURJKSA-N 1 1 390.980 4.737 50 0 GJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000015859681 221348510 /nfs/dbraw/zinc/34/85/10/221348510.db2.gz BMZWABXGULLPOH-GOSISDBHSA-N 1 1 399.878 4.545 50 0 GJAAMO O=c1cc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c2cc3c(cc2o1)CCC3 ZINC000017308025 221382290 /nfs/dbraw/zinc/38/22/90/221382290.db2.gz BZBIUIKVBGMNRA-LJQANCHMSA-N 1 1 395.524 4.524 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc(C)cc3C)cc2)cc(C)[nH+]1 ZINC000064800727 222082633 /nfs/dbraw/zinc/08/26/33/222082633.db2.gz ZEFMGMZTFWMPQJ-UHFFFAOYSA-N 1 1 375.476 4.830 50 0 GJAAMO O=C(CC[C@H]1CCC[N@H+](Cc2cscn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095507052 222338579 /nfs/dbraw/zinc/33/85/79/222338579.db2.gz VXNZYKWEYRVBLR-CQSZACIVSA-N 1 1 397.466 4.793 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cscn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095507052 222338582 /nfs/dbraw/zinc/33/85/82/222338582.db2.gz VXNZYKWEYRVBLR-CQSZACIVSA-N 1 1 397.466 4.793 50 0 GJAAMO Cc1[nH+]c(CN2CCC(CCC(=O)Nc3cccc(C)c3)CC2)c2ccccn12 ZINC000095511976 222341902 /nfs/dbraw/zinc/34/19/02/222341902.db2.gz DHEIKFNIHHLPHJ-UHFFFAOYSA-N 1 1 390.531 4.582 50 0 GJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000079191806 222304961 /nfs/dbraw/zinc/30/49/61/222304961.db2.gz PNUQRKVMSHZAKR-XJKSGUPXSA-N 1 1 396.478 4.914 50 0 biogenic GJAAMO CC[N@@H+](C)CCN(C)C(=O)c1ccc(-c2c(OC)ccc3ccccc32)cc1 ZINC000426425435 527794283 /nfs/dbraw/zinc/79/42/83/527794283.db2.gz NHFRFNCEZZKKIU-UHFFFAOYSA-N 1 1 376.500 4.539 50 0 GJAAMO C[N@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S@@](C)=O)cc21 ZINC000003954487 560123399 /nfs/dbraw/zinc/12/33/99/560123399.db2.gz SLVMESMUVMCQIY-DXPJPUQTSA-N 1 1 386.586 4.901 50 0 biogenic,world GJAAMO c1[nH]nc([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c1Cc1ccccc1 ZINC000020600027 570269710 /nfs/dbraw/zinc/26/97/10/570269710.db2.gz WIWIHPVFFVNHKZ-JOCHJYFZSA-N 1 1 382.511 4.928 50 0 GJAAMO CC[N@@H+]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 ZINC000021295299 570289971 /nfs/dbraw/zinc/28/99/71/570289971.db2.gz QFRDQLVZXVPSEM-UHFFFAOYSA-N 1 1 377.922 4.642 50 0 GJAAMO CC[N@H+]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 ZINC000021295299 570289974 /nfs/dbraw/zinc/28/99/74/570289974.db2.gz QFRDQLVZXVPSEM-UHFFFAOYSA-N 1 1 377.922 4.642 50 0 GJAAMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OCC(C)C ZINC000004828402 570295091 /nfs/dbraw/zinc/29/50/91/570295091.db2.gz LVSQLATWZDEKPC-FQEVSTJZSA-N 1 1 396.531 4.581 50 0 GJAAMO CCc1ccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)CC)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034711308 570303042 /nfs/dbraw/zinc/30/30/42/570303042.db2.gz CPWUWGFTQYFHQE-WUMKDDEVSA-N 1 1 378.560 4.769 50 0 GJAAMO O=C(c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000004740918 570400892 /nfs/dbraw/zinc/40/08/92/570400892.db2.gz AAYTXOPXLXAKHP-UHFFFAOYSA-N 1 1 386.282 4.504 50 0 GJAAMO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012999195 570413410 /nfs/dbraw/zinc/41/34/10/570413410.db2.gz BWCJQSQEVVAHMC-KRWDZBQOSA-N 1 1 389.499 4.683 50 0 GJAAMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012999195 570413413 /nfs/dbraw/zinc/41/34/13/570413413.db2.gz BWCJQSQEVVAHMC-KRWDZBQOSA-N 1 1 389.499 4.683 50 0 GJAAMO CC(C)[N@H+](CCOc1ccc(C(C)(C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025637387 570417341 /nfs/dbraw/zinc/41/73/41/570417341.db2.gz XXIHHNURYASOSD-UHFFFAOYSA-N 1 1 393.531 4.510 50 0 GJAAMO CC(C)[N@@H+](CCOc1ccc(C(C)(C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025637387 570417344 /nfs/dbraw/zinc/41/73/44/570417344.db2.gz XXIHHNURYASOSD-UHFFFAOYSA-N 1 1 393.531 4.510 50 0 GJAAMO COc1ccccc1-c1noc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089483981 570455374 /nfs/dbraw/zinc/45/53/74/570455374.db2.gz NEKOJHQIPJCOKP-UHFFFAOYSA-N 1 1 386.455 4.516 50 0 GJAAMO COc1ccccc1-c1noc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089483981 570455378 /nfs/dbraw/zinc/45/53/78/570455378.db2.gz NEKOJHQIPJCOKP-UHFFFAOYSA-N 1 1 386.455 4.516 50 0 GJAAMO Cc1c(C(=O)N2CC[C@H](C)Sc3ccc(Cl)cc32)cnn1-c1cc[nH+]cc1 ZINC000131271743 570465281 /nfs/dbraw/zinc/46/52/81/570465281.db2.gz LLDULYHLFSHGRG-ZDUSSCGKSA-N 1 1 398.919 4.760 50 0 GJAAMO OCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714861 570509819 /nfs/dbraw/zinc/50/98/19/570509819.db2.gz HUFGNGNULQPPMR-UHFFFAOYSA-N 1 1 398.388 4.511 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000002734676 570511957 /nfs/dbraw/zinc/51/19/57/570511957.db2.gz YMCABVULDBFJDH-RUZDIDTESA-N 1 1 390.571 4.688 50 0 GJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)c1 ZINC000005217454 570513487 /nfs/dbraw/zinc/51/34/87/570513487.db2.gz NSRJWEIWAMQCKX-HUVFLSCGSA-N 1 1 399.506 4.711 50 0 GJAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018689 570518461 /nfs/dbraw/zinc/51/84/61/570518461.db2.gz MHFAQOLFDZHXBZ-UHFFFAOYSA-N 1 1 379.500 4.873 50 0 GJAAMO COc1ccccc1[C@@H](CNC(=S)Nc1ccc(Cl)cc1Cl)[NH+](C)C ZINC000006650785 570519589 /nfs/dbraw/zinc/51/95/89/570519589.db2.gz MELBTYIIJRBKQW-MRXNPFEDSA-N 1 1 398.359 4.591 50 0 GJAAMO COc1cccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036100368 570537936 /nfs/dbraw/zinc/53/79/36/570537936.db2.gz DUMOVSSISIZLRB-FQEVSTJZSA-N 1 1 391.939 4.637 50 0 GJAAMO CC[C@H]1CCc2sc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2C1 ZINC000032967227 570550741 /nfs/dbraw/zinc/55/07/41/570550741.db2.gz YNNKVBHIFRNEHZ-WMZOPIPTSA-N 1 1 386.561 4.813 50 0 GJAAMO CCOc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000035511275 570554013 /nfs/dbraw/zinc/55/40/13/570554013.db2.gz FHRTXJWMADENDN-HXUWFJFHSA-N 1 1 380.492 4.924 50 0 GJAAMO CN(C(=O)c1cc2ccccc2s1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011702773 570580063 /nfs/dbraw/zinc/58/00/63/570580063.db2.gz YBYYSOCIAMNCAB-FQEVSTJZSA-N 1 1 390.552 4.605 50 0 GJAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCC[C@H]3c3ccccn3)ccc2c1 ZINC000011816749 570584326 /nfs/dbraw/zinc/58/43/26/570584326.db2.gz FZXUFTFRARPTKE-QHCPKHFHSA-N 1 1 384.483 4.971 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](C)O)C(C)C ZINC000036341998 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CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000012468482 570672042 /nfs/dbraw/zinc/67/20/42/570672042.db2.gz XCJAMFWAOITVTG-NRFANRHFSA-N 1 1 389.499 4.790 50 0 GJAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000012468482 570672045 /nfs/dbraw/zinc/67/20/45/570672045.db2.gz XCJAMFWAOITVTG-NRFANRHFSA-N 1 1 389.499 4.790 50 0 GJAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000012469950 570672370 /nfs/dbraw/zinc/67/23/70/570672370.db2.gz PGNNLHLVHUHNSP-INIZCTEOSA-N 1 1 376.447 4.709 50 0 GJAAMO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)c1 ZINC000012581498 570683743 /nfs/dbraw/zinc/68/37/43/570683743.db2.gz URQARMKEOXBUIM-MRXNPFEDSA-N 1 1 385.529 4.521 50 0 GJAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3SC)C2)c1 ZINC000012581498 570683747 /nfs/dbraw/zinc/68/37/47/570683747.db2.gz URQARMKEOXBUIM-MRXNPFEDSA-N 1 1 385.529 4.521 50 0 GJAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1C(F)(F)F ZINC000012725555 570706731 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/nfs/dbraw/zinc/23/85/29/207238529.db2.gz KTGUATOVZXZZNY-UHFFFAOYSA-N 1 1 393.516 4.833 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)c3cccs3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794373 207238534 /nfs/dbraw/zinc/23/85/34/207238534.db2.gz KTGUATOVZXZZNY-UHFFFAOYSA-N 1 1 393.516 4.833 50 0 GJAAMO Clc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCOCC1 ZINC000021798124 207238602 /nfs/dbraw/zinc/23/86/02/207238602.db2.gz SVVDLSLRRIONAC-UHFFFAOYSA-N 1 1 390.874 4.578 50 0 GJAAMO C[N@@H+]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030997344 207379154 /nfs/dbraw/zinc/37/91/54/207379154.db2.gz VYOXGQUWQAVHSP-RUZDIDTESA-N 1 1 384.523 4.724 50 0 GJAAMO C[N@H+]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030997344 207379158 /nfs/dbraw/zinc/37/91/58/207379158.db2.gz VYOXGQUWQAVHSP-RUZDIDTESA-N 1 1 384.523 4.724 50 0 GJAAMO CC[N@@H+](CCOC)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000072473978 208030340 /nfs/dbraw/zinc/03/03/40/208030340.db2.gz BGBUTEUEYFVVOU-UHFFFAOYSA-N 1 1 387.886 4.800 50 0 GJAAMO Oc1ccc(Cl)c(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1Cl ZINC000095354745 208157747 /nfs/dbraw/zinc/15/77/47/208157747.db2.gz LRPDDEKWXPHPCP-DLBZAZTESA-N 1 1 391.342 4.795 50 0 GJAAMO Oc1ccc(Cl)c(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c1Cl ZINC000095354745 208157752 /nfs/dbraw/zinc/15/77/52/208157752.db2.gz LRPDDEKWXPHPCP-DLBZAZTESA-N 1 1 391.342 4.795 50 0 GJAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)[C@H](C)CCCc2ccccc2)c1 ZINC000095462907 208188204 /nfs/dbraw/zinc/18/82/04/208188204.db2.gz XSWCHRULXQAIRH-LJQANCHMSA-N 1 1 375.516 4.515 50 0 GJAAMO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000095941368 208239296 /nfs/dbraw/zinc/23/92/96/208239296.db2.gz HGQMZYPPJOJDLH-KGLIPLIRSA-N 1 1 386.446 4.573 50 0 GJAAMO CC(C)COC(=O)N1CCC([N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000097234728 208344063 /nfs/dbraw/zinc/34/40/63/208344063.db2.gz ZCYAIRHYLISPMZ-UHFFFAOYSA-N 1 1 381.520 4.514 50 0 GJAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H](C)C[C@@H](C)C3)n2)CCC4)CC1 ZINC000003504503 220652104 /nfs/dbraw/zinc/65/21/04/220652104.db2.gz QWMAEGORXUJQDA-IAGOWNOFSA-N 1 1 398.620 4.894 50 0 GJAAMO COc1ccccc1[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)[NH+](C)C ZINC000007671200 221005456 /nfs/dbraw/zinc/00/54/56/221005456.db2.gz ZZHUJUUNTJQZDR-JOCHJYFZSA-N 1 1 390.483 4.520 50 0 GJAAMO C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000008172948 221029778 /nfs/dbraw/zinc/02/97/78/221029778.db2.gz CTSLWNNBOFHPMF-NSHDSACASA-N 1 1 392.735 4.771 50 0 GJAAMO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008867669 221061412 /nfs/dbraw/zinc/06/14/12/221061412.db2.gz LXHOOXSCADCHPA-KRWDZBQOSA-N 1 1 386.879 4.863 50 0 GJAAMO Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000011753550 221124402 /nfs/dbraw/zinc/12/44/02/221124402.db2.gz AVRJCDQEFCLXRB-LJQANCHMSA-N 1 1 385.939 4.819 50 0 GJAAMO COc1cccc([C@H](C)[N@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000011813576 221125679 /nfs/dbraw/zinc/12/56/79/221125679.db2.gz ZLLRBLVVVWQFEP-HNNXBMFYSA-N 1 1 396.487 4.869 50 0 GJAAMO COc1cccc([C@H](C)[N@@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000011813576 221125682 /nfs/dbraw/zinc/12/56/82/221125682.db2.gz ZLLRBLVVVWQFEP-HNNXBMFYSA-N 1 1 396.487 4.869 50 0 GJAAMO Cc1cccc(-n2cc(C[N@H+](C)C3CCOCC3)c(-c3cccc(F)c3)n2)c1 ZINC000011661171 221118247 /nfs/dbraw/zinc/11/82/47/221118247.db2.gz ISANHRCSORVIIW-UHFFFAOYSA-N 1 1 379.479 4.598 50 0 GJAAMO COCc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)ccc1OC ZINC000012073475 221146890 /nfs/dbraw/zinc/14/68/90/221146890.db2.gz QXAUEQADFUCZDN-LJQANCHMSA-N 1 1 399.556 4.658 50 0 GJAAMO C=Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1 ZINC000012191926 221165198 /nfs/dbraw/zinc/16/51/98/221165198.db2.gz MGEGFUXKFIRVJX-JOCHJYFZSA-N 1 1 376.544 4.665 50 0 GJAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1C(F)(F)F ZINC000012725553 221221287 /nfs/dbraw/zinc/22/12/87/221221287.db2.gz YKNLEVRIZJQWCF-MRXNPFEDSA-N 1 1 396.840 4.753 50 0 GJAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1C(F)(F)F ZINC000012725553 221221289 /nfs/dbraw/zinc/22/12/89/221221289.db2.gz YKNLEVRIZJQWCF-MRXNPFEDSA-N 1 1 396.840 4.753 50 0 GJAAMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012982204 221251900 /nfs/dbraw/zinc/25/19/00/221251900.db2.gz SSGJFHLYPPBOOR-CRAIPNDOSA-N 1 1 392.952 4.757 50 0 GJAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000015669134 221337282 /nfs/dbraw/zinc/33/72/82/221337282.db2.gz XARRUDYTNJDRLY-UHFFFAOYSA-N 1 1 379.508 4.518 50 0 GJAAMO COc1cc(/C=C/C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)ccc1O ZINC000015063718 221328106 /nfs/dbraw/zinc/32/81/06/221328106.db2.gz RCKDPRJDQQCJBP-YZTRRJNXSA-N 1 1 385.891 4.662 50 0 GJAAMO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cc1 ZINC000015068307 221328909 /nfs/dbraw/zinc/32/89/09/221328909.db2.gz CYCZYDSXTWKZGE-QFIPXVFZSA-N 1 1 387.483 4.785 50 0 GJAAMO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cc1 ZINC000015068307 221328911 /nfs/dbraw/zinc/32/89/11/221328911.db2.gz CYCZYDSXTWKZGE-QFIPXVFZSA-N 1 1 387.483 4.785 50 0 GJAAMO c1ccc(C(c2noc3c2C[N@@H+]([C@H]2CCSC2)CC3)c2ccccc2)cc1 ZINC000015070742 221329317 /nfs/dbraw/zinc/32/93/17/221329317.db2.gz JDZFZROVDPWREE-IBGZPJMESA-N 1 1 376.525 4.718 50 0 GJAAMO O=C(Nc1cccc(C(F)(F)F)c1)C1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000015861033 221348980 /nfs/dbraw/zinc/34/89/80/221348980.db2.gz NLZZPKYZOJRDHW-UHFFFAOYSA-N 1 1 378.369 4.615 50 0 GJAAMO O=C(OCc1ccccc1)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000022050594 221550757 /nfs/dbraw/zinc/55/07/57/221550757.db2.gz LWZWKAWTHAMCLH-QHCPKHFHSA-N 1 1 377.459 4.770 50 0 in-vitro GJAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055253229 222018448 /nfs/dbraw/zinc/01/84/48/222018448.db2.gz SQHQGXUBNHZFHN-LJQANCHMSA-N 1 1 391.540 4.917 50 0 GJAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055253229 222018452 /nfs/dbraw/zinc/01/84/52/222018452.db2.gz SQHQGXUBNHZFHN-LJQANCHMSA-N 1 1 391.540 4.917 50 0 GJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1Br ZINC000058160862 222042526 /nfs/dbraw/zinc/04/25/26/222042526.db2.gz PZFHGNAOOMNMQQ-UHFFFAOYSA-N 1 1 395.300 4.767 50 0 GJAAMO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CCCc2cccnc2)CCO3)s1 ZINC000067818841 222161393 /nfs/dbraw/zinc/16/13/93/222161393.db2.gz HOLSFRXPOIFPIT-UHFFFAOYSA-N 1 1 380.513 4.651 50 0 GJAAMO Fc1ccc(CC[C@H]2CCC[N@H+](C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000071614303 222186335 /nfs/dbraw/zinc/18/63/35/222186335.db2.gz PFZLRLXPHSFXHE-OAQYLSRUSA-N 1 1 381.539 4.530 50 0 GJAAMO C[N@H+](Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C[C@H]1CCCO1 ZINC000072479028 222267561 /nfs/dbraw/zinc/26/75/61/222267561.db2.gz NVXSOWGBQKEOCW-LJQANCHMSA-N 1 1 399.897 4.943 50 0 GJAAMO O=C(C[NH+]1CCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000752212 526734313 /nfs/dbraw/zinc/73/43/13/526734313.db2.gz ZBXWGZZDONHXLU-UHFFFAOYSA-N 1 1 378.419 4.931 50 0 GJAAMO Cc1ccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000023306773 570229261 /nfs/dbraw/zinc/22/92/61/570229261.db2.gz MXKOZUKLHHARJP-RUZDIDTESA-N 1 1 384.523 4.851 50 0 GJAAMO Cc1cc(C)n(-c2cccc(C[N@H+](C)Cc3nc(-c4ccoc4)oc3C)c2)n1 ZINC000020599722 570269669 /nfs/dbraw/zinc/26/96/69/570269669.db2.gz FDNWOZKLSVMMTG-UHFFFAOYSA-N 1 1 376.460 4.678 50 0 GJAAMO Cc1cc(C)n(-c2cccc(C[N@@H+](C)Cc3nc(-c4ccoc4)oc3C)c2)n1 ZINC000020599722 570269672 /nfs/dbraw/zinc/26/96/72/570269672.db2.gz FDNWOZKLSVMMTG-UHFFFAOYSA-N 1 1 376.460 4.678 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c3ccccc3)ccc2c1 ZINC000035268849 570278577 /nfs/dbraw/zinc/27/85/77/570278577.db2.gz CIDOGYBHEOKVBE-MSOLQXFVSA-N 1 1 376.500 4.546 50 0 GJAAMO Oc1cccc(CC[C@H]2CCCC[N@H+]2Cc2ccc(Cn3cccn3)cc2)c1 ZINC000215270096 570286773 /nfs/dbraw/zinc/28/67/73/570286773.db2.gz FWUDKOLIGNJLDU-HSZRJFAPSA-N 1 1 375.516 4.624 50 0 GJAAMO Cc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1C ZINC000021038617 570287962 /nfs/dbraw/zinc/28/79/62/570287962.db2.gz ZNXXJUQBESOENO-UHFFFAOYSA-N 1 1 380.442 4.674 50 0 GJAAMO Cc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1C ZINC000021038617 570287963 /nfs/dbraw/zinc/28/79/63/570287963.db2.gz ZNXXJUQBESOENO-UHFFFAOYSA-N 1 1 380.442 4.674 50 0 GJAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OCC(C)C ZINC000004828399 570295052 /nfs/dbraw/zinc/29/50/52/570295052.db2.gz LVSQLATWZDEKPC-HXUWFJFHSA-N 1 1 396.531 4.581 50 0 GJAAMO CCOc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2c(C)noc2CC)cc1 ZINC000021720805 570295189 /nfs/dbraw/zinc/29/51/89/570295189.db2.gz JYVZZOLAKSHSHW-IBGZPJMESA-N 1 1 380.492 4.671 50 0 GJAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC=C(c3ccccc3)CC2)o1 ZINC000007457351 570335495 /nfs/dbraw/zinc/33/54/95/570335495.db2.gz VDJGZIHITZBWOF-UHFFFAOYSA-N 1 1 398.466 4.989 50 0 GJAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CC=C(c3ccccc3)CC2)o1 ZINC000007457351 570335498 /nfs/dbraw/zinc/33/54/98/570335498.db2.gz VDJGZIHITZBWOF-UHFFFAOYSA-N 1 1 398.466 4.989 50 0 GJAAMO COc1cc2c(cc1OC)C[N@H+]([C@H](C)Cc1cccc(C(F)(F)F)c1)CC2 ZINC000023280882 570353679 /nfs/dbraw/zinc/35/36/79/570353679.db2.gz ZKNMBUQQBPNZNS-CQSZACIVSA-N 1 1 379.422 4.712 50 0 GJAAMO Cc1ccc2cc3cc(C(=O)NCC[N@H+](C)Cc4ccccc4)sc3nc2c1 ZINC000004886230 570355189 /nfs/dbraw/zinc/35/51/89/570355189.db2.gz OGUOWKFFZNXLMN-UHFFFAOYSA-N 1 1 389.524 4.620 50 0 GJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000023506327 570363968 /nfs/dbraw/zinc/36/39/68/570363968.db2.gz NLWJLBDUMHKTHP-IBGZPJMESA-N 1 1 384.911 4.945 50 0 GJAAMO Cc1c(Cl)cccc1NC(=S)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000004299390 570366156 /nfs/dbraw/zinc/36/61/56/570366156.db2.gz YWCBVUZYJCNLQJ-UHFFFAOYSA-N 1 1 391.943 4.692 50 0 GJAAMO Cc1c(Cl)cccc1NC(=S)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000004299390 570366157 /nfs/dbraw/zinc/36/61/57/570366157.db2.gz YWCBVUZYJCNLQJ-UHFFFAOYSA-N 1 1 391.943 4.692 50 0 GJAAMO Cc1ccc2nc(C[N@H+](Cc3ccc(C(C)C)cc3)CC(C)C)cc(=O)n2c1 ZINC000035502655 570377507 /nfs/dbraw/zinc/37/75/07/570377507.db2.gz BOMSJUUZRBTIOD-UHFFFAOYSA-N 1 1 377.532 4.785 50 0 GJAAMO CCC[NH+](CCC)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000033286108 570406011 /nfs/dbraw/zinc/40/60/11/570406011.db2.gz IZNQQDPIMUBZDL-PTNGSMBKSA-N 1 1 397.338 4.565 50 0 GJAAMO CC(C)(C)c1cc(C[NH+]2CCN(c3ccccn3)CC2)cc(C(C)(C)C)c1O ZINC000004977536 570421265 /nfs/dbraw/zinc/42/12/65/570421265.db2.gz VTEIFVOGERJZEJ-UHFFFAOYSA-N 1 1 381.564 4.704 50 0 GJAAMO CC(=O)OCC[N@H+](C[C@@H]1[C@H](C)C=C(C)C[C@@H]1C)C[C@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000239025465 570427796 /nfs/dbraw/zinc/42/77/96/570427796.db2.gz BRHVDTJVVBPNCJ-AHHHIPPOSA-N 1 1 375.597 5.328 50 0 GJAAMO Brc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222715 570432422 /nfs/dbraw/zinc/43/24/22/570432422.db2.gz DIYQANJPRNOVGW-FQEVSTJZSA-N 1 1 396.332 4.861 50 0 GJAAMO O[C@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1cccc(F)c1 ZINC000028580842 570461604 /nfs/dbraw/zinc/46/16/04/570461604.db2.gz JFBUPNSEJLOYHQ-IBGZPJMESA-N 1 1 389.854 4.514 50 0 GJAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccco1)Cc1cccc(F)c1 ZINC000028580842 570461608 /nfs/dbraw/zinc/46/16/08/570461608.db2.gz JFBUPNSEJLOYHQ-IBGZPJMESA-N 1 1 389.854 4.514 50 0 GJAAMO CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000252477285 570474115 /nfs/dbraw/zinc/47/41/15/570474115.db2.gz LGGNYKYHOAYCMX-IAGOWNOFSA-N 1 1 377.529 4.552 50 0 GJAAMO CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000252477285 570474118 /nfs/dbraw/zinc/47/41/18/570474118.db2.gz LGGNYKYHOAYCMX-IAGOWNOFSA-N 1 1 377.529 4.552 50 0 GJAAMO COc1cc(C(C)=O)ccc1OCCCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006624436 570508785 /nfs/dbraw/zinc/50/87/85/570508785.db2.gz RJROGNNLCSDZQC-OAQYLSRUSA-N 1 1 382.504 4.679 50 0 biogenic GJAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCCO)cc1Cl ZINC000002714219 570509377 /nfs/dbraw/zinc/50/93/77/570509377.db2.gz BWGNRRKYTWQRPR-UHFFFAOYSA-N 1 1 392.890 4.844 50 0 GJAAMO Cc1ncsc1C(=O)OC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078989012 570509482 /nfs/dbraw/zinc/50/94/82/570509482.db2.gz IOQIRLHHICHWAN-GOEBONIOSA-N 1 1 398.450 4.710 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2C)cc1 ZINC000036101974 570539137 /nfs/dbraw/zinc/53/91/37/570539137.db2.gz FUTQDDDGLOBMPL-DEOSSOPVSA-N 1 1 393.502 4.885 50 0 GJAAMO Cc1ccccc1[C@H](CC(=O)NCc1ccccc1)c1c[nH+]c2n1[C@H](C)CCC2 ZINC000034920141 570547679 /nfs/dbraw/zinc/54/76/79/570547679.db2.gz JUTOGSUCPDTFSX-KNQAVFIVSA-N 1 1 387.527 4.927 50 0 GJAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000022907762 570563961 /nfs/dbraw/zinc/56/39/61/570563961.db2.gz ZXASLGHGYDFWRD-HXUWFJFHSA-N 1 1 396.943 4.931 50 0 GJAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000022907762 570563964 /nfs/dbraw/zinc/56/39/64/570563964.db2.gz ZXASLGHGYDFWRD-HXUWFJFHSA-N 1 1 396.943 4.931 50 0 GJAAMO CN(C(=O)c1cc2ccccc2s1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011702763 570580072 /nfs/dbraw/zinc/58/00/72/570580072.db2.gz YBYYSOCIAMNCAB-HXUWFJFHSA-N 1 1 390.552 4.605 50 0 GJAAMO Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)cc1F ZINC000011718199 570581107 /nfs/dbraw/zinc/58/11/07/570581107.db2.gz SGVPCPOFTUZMGR-GOSISDBHSA-N 1 1 396.441 4.624 50 0 GJAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1CCCCC1 ZINC000011879061 570590578 /nfs/dbraw/zinc/59/05/78/570590578.db2.gz MHTPZNSLDRRDKM-IBGZPJMESA-N 1 1 376.972 4.633 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1)N1CCCC1 ZINC000012195021 570622702 /nfs/dbraw/zinc/62/27/02/570622702.db2.gz ZKWVHUDJPUOCQD-NRFANRHFSA-N 1 1 376.544 4.968 50 0 GJAAMO CSc1cccc(NC(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000012196310 570623323 /nfs/dbraw/zinc/62/33/23/570623323.db2.gz LWJVZWZTLOCMMR-FQEVSTJZSA-N 1 1 383.561 4.579 50 0 GJAAMO Cc1ccc(C)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036344508 570626477 /nfs/dbraw/zinc/62/64/77/570626477.db2.gz BJTSDCXMHGFLGE-QHCPKHFHSA-N 1 1 393.506 4.606 50 0 GJAAMO Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036345534 570628198 /nfs/dbraw/zinc/62/81/98/570628198.db2.gz PLZHOCILEVFTPX-WMZHIEFXSA-N 1 1 375.516 4.547 50 0 GJAAMO COc1ccc(OC)c([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)c1 ZINC000036347980 570630179 /nfs/dbraw/zinc/63/01/79/570630179.db2.gz UJSVNQHABNBMEW-XMMPIXPASA-N 1 1 376.500 4.809 50 0 GJAAMO CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000006871696 570664071 /nfs/dbraw/zinc/66/40/71/570664071.db2.gz JLIGPHHWPQNPCC-UHFFFAOYSA-N 1 1 379.261 4.892 50 0 GJAAMO Cc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@@H](C(=O)c3ccccc3)C[N@@H+]2C)cc1 ZINC000221603785 570667067 /nfs/dbraw/zinc/66/70/67/570667067.db2.gz AOCPPFBBSZTNPG-RBZQAINGSA-N 1 1 383.491 4.980 50 0 GJAAMO Cc1ccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)cc1C ZINC000006877309 570667893 /nfs/dbraw/zinc/66/78/93/570667893.db2.gz FHBYRTVCCSRHET-UHFFFAOYSA-N 1 1 377.532 4.606 50 0 GJAAMO CCc1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877405 570668298 /nfs/dbraw/zinc/66/82/98/570668298.db2.gz IKBAEIINVGGFMM-LJQANCHMSA-N 1 1 377.532 4.551 50 0 GJAAMO CC[C@@H](C)[N@@H+](Cc1c(C)n(C)n(-c2ccccc2)c1=O)Cc1ccc(C)cc1 ZINC000055108877 570683530 /nfs/dbraw/zinc/68/35/30/570683530.db2.gz YBTRLDLFFTWJMV-LJQANCHMSA-N 1 1 377.532 4.594 50 0 GJAAMO CCOc1ccc(C[N@H+](Cc2cccnc2NC(=O)C(C)(C)C)C2CC2)cc1 ZINC000055361099 570692205 /nfs/dbraw/zinc/69/22/05/570692205.db2.gz SGGGLALIZYXPML-UHFFFAOYSA-N 1 1 381.520 4.630 50 0 GJAAMO CCOc1ccc(C[N@@H+](Cc2cccnc2NC(=O)C(C)(C)C)C2CC2)cc1 ZINC000055361099 570692207 /nfs/dbraw/zinc/69/22/07/570692207.db2.gz SGGGLALIZYXPML-UHFFFAOYSA-N 1 1 381.520 4.630 50 0 GJAAMO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3C)nc2)cnn1-c1ccccc1 ZINC000055370909 570693262 /nfs/dbraw/zinc/69/32/62/570693262.db2.gz QHRQZABVFBBKOP-GOSISDBHSA-N 1 1 383.499 4.797 50 0 GJAAMO Cc1ccsc1C[N@@H+](Cc1c(C)n(C)n(-c2ccccc2)c1=O)CC(C)C ZINC000055393455 570694453 /nfs/dbraw/zinc/69/44/53/570694453.db2.gz OREDXCPOVSINJA-UHFFFAOYSA-N 1 1 383.561 4.513 50 0 GJAAMO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000013063305 570744547 /nfs/dbraw/zinc/74/45/47/570744547.db2.gz SXZJEAIOYBAHNL-SNVBAGLBSA-N 1 1 385.664 4.531 50 0 GJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2F)c(OC)c1 ZINC000013759139 570785919 /nfs/dbraw/zinc/78/59/19/570785919.db2.gz MVSZIESXWTZSRG-TUACAJSNSA-N 1 1 399.506 4.711 50 0 GJAAMO COc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)cc1 ZINC000067758872 570790142 /nfs/dbraw/zinc/79/01/42/570790142.db2.gz CKPSZUZIUNYYPP-UHFFFAOYSA-N 1 1 375.468 4.771 50 0 GJAAMO COc1ccc(C[N@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)cc1 ZINC000067758872 570790144 /nfs/dbraw/zinc/79/01/44/570790144.db2.gz CKPSZUZIUNYYPP-UHFFFAOYSA-N 1 1 375.468 4.771 50 0 GJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000065322200 570800253 /nfs/dbraw/zinc/80/02/53/570800253.db2.gz WGWPZSJXYGREDC-UHFFFAOYSA-N 1 1 382.552 4.951 50 0 GJAAMO COc1ccc(NC(=S)NCC[N@@H+](C2CCCC2)C2CCCCC2)cc1 ZINC000004669811 570816729 /nfs/dbraw/zinc/81/67/29/570816729.db2.gz OYQZWMNWFOTMAH-UHFFFAOYSA-N 1 1 375.582 4.559 50 0 GJAAMO Cc1cc(C)c(NC(=S)NC[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)c1 ZINC000004683342 570829603 /nfs/dbraw/zinc/82/96/03/570829603.db2.gz AQNQKVLAOFOLOO-PMACEKPBSA-N 1 1 381.589 4.981 50 0 GJAAMO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCN(C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)[C@@H]2C(C)C)[C@H](C)C1 ZINC000239426039 570830107 /nfs/dbraw/zinc/83/01/07/570830107.db2.gz VQHCAYWQEPUJSF-PDOOFQMASA-N 1 1 386.668 6.063 50 0 GJAAMO CC1=C[C@@H](C)[C@@H](CN2CC[N@H+](C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)[C@@H]2C(C)C)[C@H](C)C1 ZINC000239426039 570830108 /nfs/dbraw/zinc/83/01/08/570830108.db2.gz VQHCAYWQEPUJSF-PDOOFQMASA-N 1 1 386.668 6.063 50 0 GJAAMO CC1=C[C@@H](C)[C@@H](CN2CC[N@@H+](C[C@@H]3[C@H](C)CC(C)=C[C@@H]3C)[C@@H]2C(C)C)[C@H](C)C1 ZINC000239426039 570830109 /nfs/dbraw/zinc/83/01/09/570830109.db2.gz VQHCAYWQEPUJSF-PDOOFQMASA-N 1 1 386.668 6.063 50 0 GJAAMO Cc1ccc(-c2ccc(C(=O)NCCCn3cc[nH+]c3C(C)C)cn2)cc1C ZINC000071315740 570832441 /nfs/dbraw/zinc/83/24/41/570832441.db2.gz YDZKMGHCMNHVFM-UHFFFAOYSA-N 1 1 376.504 4.505 50 0 GJAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)o1 ZINC000072126440 570867493 /nfs/dbraw/zinc/86/74/93/570867493.db2.gz NVCOIOAIBLFEFX-HNNXBMFYSA-N 1 1 394.437 4.503 50 0 GJAAMO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000003648939 570880816 /nfs/dbraw/zinc/88/08/16/570880816.db2.gz GAUGLBVEJRYEEX-NQIIRXRSSA-N 1 1 378.516 4.552 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000103437782 570884934 /nfs/dbraw/zinc/88/49/34/570884934.db2.gz YUOAFHGTTBLIGU-IERDGZPVSA-N 1 1 377.488 4.610 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000103437782 570884936 /nfs/dbraw/zinc/88/49/36/570884936.db2.gz YUOAFHGTTBLIGU-IERDGZPVSA-N 1 1 377.488 4.610 50 0 GJAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000170643789 570969414 /nfs/dbraw/zinc/96/94/14/570969414.db2.gz KWMMITFAUSVNMW-HXUWFJFHSA-N 1 1 399.538 4.706 50 0 GJAAMO COc1cc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000037523586 571025164 /nfs/dbraw/zinc/02/51/64/571025164.db2.gz BEZYCDUTJSTZOS-QHCPKHFHSA-N 1 1 392.499 4.509 50 0 GJAAMO COc1cc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000037523586 571025166 /nfs/dbraw/zinc/02/51/66/571025166.db2.gz BEZYCDUTJSTZOS-QHCPKHFHSA-N 1 1 392.499 4.509 50 0 GJAAMO Cc1[nH]nc(-c2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2O)c1-c1ccccc1 ZINC000008743969 212147947 /nfs/dbraw/zinc/14/79/47/212147947.db2.gz CVFCZPZOIPRAGY-QGZVFWFLSA-N 1 1 391.515 4.868 50 0 GJAAMO O=C(Nc1cccnc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000253414031 212135767 /nfs/dbraw/zinc/13/57/67/212135767.db2.gz WGWOYPOCDLSKKG-MAUKXSAKSA-N 1 1 387.574 4.752 50 0 biogenic GJAAMO CC(C)n1cc(CCC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000253411557 206282364 /nfs/dbraw/zinc/28/23/64/206282364.db2.gz OUFWWWIAUDFIJZ-JTHBVZDNSA-N 1 1 395.591 4.878 50 0 biogenic GJAAMO Cc1ccc(-n2cc(C[N@H+](C)C3CCOCC3)c(-c3cccc(C)c3)n2)cc1 ZINC000011843946 206837777 /nfs/dbraw/zinc/83/77/77/206837777.db2.gz ZXVZRYRTJWKQOL-UHFFFAOYSA-N 1 1 375.516 4.767 50 0 GJAAMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1 ZINC000014974061 207036168 /nfs/dbraw/zinc/03/61/68/207036168.db2.gz WDHRUFJWEVUITB-NRFANRHFSA-N 1 1 394.515 4.527 50 0 GJAAMO Cc1oc(-c2ccccc2C)nc1C[N@@H+](C)[C@H](C)c1ccc2c(c1)OCCO2 ZINC000014973212 207036626 /nfs/dbraw/zinc/03/66/26/207036626.db2.gz QWEWXSFBBZPKFA-MRXNPFEDSA-N 1 1 378.472 4.923 50 0 GJAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+](C)[C@H](C)c1ccc2c(c1)OCCO2 ZINC000014973212 207036629 /nfs/dbraw/zinc/03/66/29/207036629.db2.gz QWEWXSFBBZPKFA-MRXNPFEDSA-N 1 1 378.472 4.923 50 0 GJAAMO C[C@@H]1CN(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)C[C@@H](C)O1 ZINC000019889044 207167874 /nfs/dbraw/zinc/16/78/74/207167874.db2.gz LMMVZOBRCFQJEF-WOJBJXKFSA-N 1 1 380.532 4.553 50 0 GJAAMO CC(C)N1CCC([N@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000020454235 207194197 /nfs/dbraw/zinc/19/41/97/207194197.db2.gz QJNQAEIFGNPZTH-NRFANRHFSA-N 1 1 390.571 4.706 50 0 GJAAMO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000020454235 207194201 /nfs/dbraw/zinc/19/42/01/207194201.db2.gz QJNQAEIFGNPZTH-NRFANRHFSA-N 1 1 390.571 4.706 50 0 GJAAMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000020600826 207206293 /nfs/dbraw/zinc/20/62/93/207206293.db2.gz BGOFGHAHDYJVPF-LJQANCHMSA-N 1 1 391.515 4.782 50 0 GJAAMO COc1ccc(-c2csc3ncnc(NCC[N@H+]4CCCC[C@H]4C)c23)cc1 ZINC000021643210 207233364 /nfs/dbraw/zinc/23/33/64/207233364.db2.gz MYKRAOZPUWDVBS-OAHLLOKOSA-N 1 1 382.533 4.653 50 0 GJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccccc3)cc2)[nH+]1 ZINC000021794277 207237706 /nfs/dbraw/zinc/23/77/06/207237706.db2.gz QPEROILXEFMBEY-UHFFFAOYSA-N 1 1 387.487 4.771 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794277 207237711 /nfs/dbraw/zinc/23/77/11/207237711.db2.gz QPEROILXEFMBEY-UHFFFAOYSA-N 1 1 387.487 4.771 50 0 GJAAMO CC(=O)Nc1ccc2[nH]c(C)c([C@@H](Nc3cccc(C)[nH+]3)c3ccccn3)c2c1 ZINC000021805642 207238627 /nfs/dbraw/zinc/23/86/27/207238627.db2.gz LGOVLABBGXCNKC-QHCPKHFHSA-N 1 1 385.471 4.735 50 0 GJAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000023310823 207273374 /nfs/dbraw/zinc/27/33/74/207273374.db2.gz KYJNJGHMBJRMEA-XMMPIXPASA-N 1 1 388.486 4.682 50 0 GJAAMO Cc1ccc(-n2cc(C[N@H+](CCCO)C(C)C)c(-c3ccc(F)cc3)n2)cc1 ZINC000072428720 208021957 /nfs/dbraw/zinc/02/19/57/208021957.db2.gz DFSKKMTUTXAYKN-UHFFFAOYSA-N 1 1 381.495 4.580 50 0 GJAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000072435757 208025626 /nfs/dbraw/zinc/02/56/26/208025626.db2.gz ANCIKZFVHDNNIU-GOSISDBHSA-N 1 1 382.891 4.521 50 0 GJAAMO CCC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)[C@@H]1CCc2ccccc2C1 ZINC000079108045 208072887 /nfs/dbraw/zinc/07/28/87/208072887.db2.gz QPYISZXGSBBPDB-JOCHJYFZSA-N 1 1 375.516 4.738 50 0 GJAAMO Cc1nc(CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)cs1 ZINC000095364416 208163522 /nfs/dbraw/zinc/16/35/22/208163522.db2.gz UJWNRDJPNDDALJ-FQEVSTJZSA-N 1 1 381.589 4.686 50 0 GJAAMO CCCCCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000096154155 208279239 /nfs/dbraw/zinc/27/92/39/208279239.db2.gz NDOMPZXECYWUCO-UHFFFAOYSA-N 1 1 380.536 4.554 50 0 GJAAMO CCCCCc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000096154155 208279245 /nfs/dbraw/zinc/27/92/45/208279245.db2.gz NDOMPZXECYWUCO-UHFFFAOYSA-N 1 1 380.536 4.554 50 0 GJAAMO CC(=O)c1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cs1 ZINC000011662948 221118570 /nfs/dbraw/zinc/11/85/70/221118570.db2.gz CTBKWTZHEZAXQU-FQEVSTJZSA-N 1 1 384.589 4.646 50 0 GJAAMO Cc1ccc(-n2cc(C[N@H+](C)C3CCN(C)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000011720108 221122575 /nfs/dbraw/zinc/12/25/75/221122575.db2.gz BHQIMXYWBJRRIS-UHFFFAOYSA-N 1 1 388.559 4.682 50 0 GJAAMO Cc1ccc(-n2cc(CN(C)C3CC[NH+](C)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000011720108 221122579 /nfs/dbraw/zinc/12/25/79/221122579.db2.gz BHQIMXYWBJRRIS-UHFFFAOYSA-N 1 1 388.559 4.682 50 0 GJAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)cc1F ZINC000011718194 221123348 /nfs/dbraw/zinc/12/33/48/221123348.db2.gz SGVPCPOFTUZMGR-SFHVURJKSA-N 1 1 396.441 4.624 50 0 GJAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](C3CCSCC3)C2)cc1Cl ZINC000011933092 221137612 /nfs/dbraw/zinc/13/76/12/221137612.db2.gz ULJGDUOSRWDDHP-OAHLLOKOSA-N 1 1 396.984 4.675 50 0 GJAAMO COc1ccc2ccccc2c1C[N@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000011934676 221138849 /nfs/dbraw/zinc/13/88/49/221138849.db2.gz UOBFREPWEUFOEV-RUZDIDTESA-N 1 1 393.502 4.805 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)c(C)o2)cc1 ZINC000012303796 221176999 /nfs/dbraw/zinc/17/69/99/221176999.db2.gz LGKLABDCBKPHBE-NRFANRHFSA-N 1 1 394.446 4.913 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)c(C)o2)cc1 ZINC000012303796 221177001 /nfs/dbraw/zinc/17/70/01/221177001.db2.gz LGKLABDCBKPHBE-NRFANRHFSA-N 1 1 394.446 4.913 50 0 GJAAMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1 ZINC000012307049 221180034 /nfs/dbraw/zinc/18/00/34/221180034.db2.gz YZSCVGMHSCGXIL-SFHVURJKSA-N 1 1 379.891 4.621 50 0 GJAAMO Cc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000012208243 221167995 /nfs/dbraw/zinc/16/79/95/221167995.db2.gz QWECBNVSYCSLQX-HSZRJFAPSA-N 1 1 392.591 4.832 50 0 GJAAMO Cc1c2cc(C)ccc2oc1C(=O)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000012430613 221191239 /nfs/dbraw/zinc/19/12/39/221191239.db2.gz FVYOAQLMYHCPFB-UHFFFAOYSA-N 1 1 380.463 4.537 50 0 GJAAMO Cc1c2cc(C)ccc2oc1C(=O)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000012430613 221191242 /nfs/dbraw/zinc/19/12/42/221191242.db2.gz FVYOAQLMYHCPFB-UHFFFAOYSA-N 1 1 380.463 4.537 50 0 GJAAMO C/C=C(\C)C[N@@H+]1CCOc2c(cc(-c3cccc(OC)c3OC)cc2OC)C1 ZINC000012455180 221198795 /nfs/dbraw/zinc/19/87/95/221198795.db2.gz YBVWKPCDQGUYFS-OMCISZLKSA-N 1 1 383.488 4.540 50 0 GJAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccccc1Cl ZINC000012712961 221221105 /nfs/dbraw/zinc/22/11/05/221221105.db2.gz ZEMBJSPVJOFARC-QGZVFWFLSA-N 1 1 388.914 4.506 50 0 GJAAMO CC(C)c1ccccc1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012756631 221226738 /nfs/dbraw/zinc/22/67/38/221226738.db2.gz UWHZLNOUFZOZLK-UHFFFAOYSA-N 1 1 394.515 4.922 50 0 GJAAMO Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012871266 221240115 /nfs/dbraw/zinc/24/01/15/221240115.db2.gz KIPLBHZMTCJEQG-KRWDZBQOSA-N 1 1 393.556 4.662 50 0 GJAAMO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012992442 221253731 /nfs/dbraw/zinc/25/37/31/221253731.db2.gz KBTYZWYRZQVUPD-HNNXBMFYSA-N 1 1 375.497 4.845 50 0 GJAAMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012992442 221253734 /nfs/dbraw/zinc/25/37/34/221253734.db2.gz KBTYZWYRZQVUPD-HNNXBMFYSA-N 1 1 375.497 4.845 50 0 GJAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000013594543 221275792 /nfs/dbraw/zinc/27/57/92/221275792.db2.gz KSORGAHSMHRMGC-GOSISDBHSA-N 1 1 379.529 4.552 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C1)N1CCCC1 ZINC000015075951 221331917 /nfs/dbraw/zinc/33/19/17/221331917.db2.gz XBMQUHXFGPMBFL-FQEVSTJZSA-N 1 1 384.564 4.623 50 0 GJAAMO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](C/C=C/c4ccccc4)C3)CC2)c1 ZINC000020535623 136202786 /nfs/dbraw/zinc/20/27/86/136202786.db2.gz KJELEYDJTVWVCT-LUAJHVPRSA-N 1 1 395.978 4.640 50 0 GJAAMO Clc1cccc(N2CC[NH+]([C@H]3CCCN(C/C=C/c4ccccc4)C3)CC2)c1 ZINC000020535623 136202787 /nfs/dbraw/zinc/20/27/87/136202787.db2.gz KJELEYDJTVWVCT-LUAJHVPRSA-N 1 1 395.978 4.640 50 0 GJAAMO Cc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@H](C(=O)c3ccccc3)C[N@@H+]2C)cc1 ZINC000052530362 222006061 /nfs/dbraw/zinc/00/60/61/222006061.db2.gz AOCPPFBBSZTNPG-TZRRMPRUSA-N 1 1 383.491 4.980 50 0 GJAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000053721945 222012652 /nfs/dbraw/zinc/01/26/52/222012652.db2.gz CQJSSSIPTIUMBK-KRWDZBQOSA-N 1 1 398.551 4.703 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(C)[nH+]1 ZINC000064800765 222081945 /nfs/dbraw/zinc/08/19/45/222081945.db2.gz NPCOKGCTHAQPMA-UHFFFAOYSA-N 1 1 381.867 4.866 50 0 GJAAMO Cc1cccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c1 ZINC000064800812 222081970 /nfs/dbraw/zinc/08/19/70/222081970.db2.gz MCIAANPCFONBQU-UHFFFAOYSA-N 1 1 387.487 4.690 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)cc(C)[nH+]1 ZINC000064800731 222081981 /nfs/dbraw/zinc/08/19/81/222081981.db2.gz QXDBQTFTUSHZAM-UHFFFAOYSA-N 1 1 375.476 4.830 50 0 GJAAMO COc1ccc(F)c(F)c1-c1c(-c2ccccc2)ncn1CC[C@@H]1CCC[N@H+]1C ZINC000065383759 222126817 /nfs/dbraw/zinc/12/68/17/222126817.db2.gz HOEOGEKOAZIBPU-KRWDZBQOSA-N 1 1 397.469 4.988 50 0 GJAAMO C[N@@H+]1CC=C(CN(C(=O)c2cccc(F)c2)[C@H]2CCCc3ccccc32)CC1 ZINC000067675641 222154605 /nfs/dbraw/zinc/15/46/05/222154605.db2.gz HHFYMPSCWLWGHO-QHCPKHFHSA-N 1 1 378.491 4.607 50 0 GJAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000067818597 222162084 /nfs/dbraw/zinc/16/20/84/222162084.db2.gz JQASEMDXUSCKIS-QGZVFWFLSA-N 1 1 391.540 4.755 50 0 GJAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3nc2C)C1 ZINC000067818597 222162086 /nfs/dbraw/zinc/16/20/86/222162086.db2.gz JQASEMDXUSCKIS-QGZVFWFLSA-N 1 1 391.540 4.755 50 0 GJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)s1 ZINC000019740230 570212340 /nfs/dbraw/zinc/21/23/40/570212340.db2.gz LAKIIGLCFPJOLS-SFHVURJKSA-N 1 1 394.544 4.785 50 0 GJAAMO Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000022626732 570227688 /nfs/dbraw/zinc/22/76/88/570227688.db2.gz RNBDKKBQSZUTKB-KRWDZBQOSA-N 1 1 397.563 4.942 50 0 GJAAMO CC(C)(C)SCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019953220 570233134 /nfs/dbraw/zinc/23/31/34/570233134.db2.gz YJNQKXDRWUPFEP-UHFFFAOYSA-N 1 1 382.573 4.506 50 0 GJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000023309020 570235499 /nfs/dbraw/zinc/23/54/99/570235499.db2.gz JESASIZDUDLKNV-DEOSSOPVSA-N 1 1 388.486 4.682 50 0 GJAAMO CC[NH+]1CCN(CCCCOc2ccc(Cl)cc2Cc2ccccc2)CC1 ZINC000020406452 570254317 /nfs/dbraw/zinc/25/43/17/570254317.db2.gz PKCRBQYQWNJQNH-UHFFFAOYSA-N 1 1 386.967 4.727 50 0 GJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCCc3ccccn3)c2c1C ZINC000021274952 570289538 /nfs/dbraw/zinc/28/95/38/570289538.db2.gz DOGNBAYXPHPRIV-UHFFFAOYSA-N 1 1 395.576 4.590 50 0 GJAAMO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(Br)c1 ZINC000021720773 570294949 /nfs/dbraw/zinc/29/49/49/570294949.db2.gz BFLNQCVZNQTOQU-OAHLLOKOSA-N 1 1 379.298 4.654 50 0 GJAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(OC)c(Br)c1 ZINC000021720773 570294950 /nfs/dbraw/zinc/29/49/50/570294950.db2.gz BFLNQCVZNQTOQU-OAHLLOKOSA-N 1 1 379.298 4.654 50 0 GJAAMO c1c2ccccc2sc1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023374890 570358353 /nfs/dbraw/zinc/35/83/53/570358353.db2.gz XSERZDCOXUIGCZ-JOCHJYFZSA-N 1 1 391.584 4.688 50 0 GJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)C1 ZINC000004958658 570381460 /nfs/dbraw/zinc/38/14/60/570381460.db2.gz QKZHGAGOZWJDMO-MRXNPFEDSA-N 1 1 399.966 4.619 50 0 GJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)C1 ZINC000004958660 570381515 /nfs/dbraw/zinc/38/15/15/570381515.db2.gz QKZHGAGOZWJDMO-INIZCTEOSA-N 1 1 399.966 4.619 50 0 GJAAMO Cc1ccc(C)c(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000220964747 570390963 /nfs/dbraw/zinc/39/09/63/570390963.db2.gz GVTWLPZWOYBIAZ-UHFFFAOYSA-N 1 1 398.550 4.893 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)c(OC)c1 ZINC000036347256 570407487 /nfs/dbraw/zinc/40/74/87/570407487.db2.gz SSDSJACPJRJIPW-XMMPIXPASA-N 1 1 376.500 4.809 50 0 GJAAMO CC(C)[N@@H+](CCCNC(=O)c1csc2c1CC[C@H](C)C2)Cc1ccccc1 ZINC000005070286 570411433 /nfs/dbraw/zinc/41/14/33/570411433.db2.gz IJASFTYGBCQPDB-SFHVURJKSA-N 1 1 384.589 4.903 50 0 GJAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccccc1F ZINC000004942818 570418991 /nfs/dbraw/zinc/41/89/91/570418991.db2.gz UZXRUWQGYGMTKY-UHFFFAOYSA-N 1 1 375.827 4.950 50 0 GJAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000028580895 570461584 /nfs/dbraw/zinc/46/15/84/570461584.db2.gz CDJKXJHBNJXTCH-LJQANCHMSA-N 1 1 389.854 4.514 50 0 GJAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000028580895 570461588 /nfs/dbraw/zinc/46/15/88/570461588.db2.gz CDJKXJHBNJXTCH-LJQANCHMSA-N 1 1 389.854 4.514 50 0 GJAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c2cccnc12)c1ccccc1Cl ZINC000029052152 570467673 /nfs/dbraw/zinc/46/76/73/570467673.db2.gz UUVZRWJVEHBNKP-SFHVURJKSA-N 1 1 388.298 4.574 50 0 GJAAMO Cc1nc(-c2cccc(NC(=O)C[N@H+](C)[C@@H]3CCc4ccccc43)c2)cs1 ZINC000029486340 570474698 /nfs/dbraw/zinc/47/46/98/570474698.db2.gz ZHESKYNZIMZSNM-OAQYLSRUSA-N 1 1 377.513 4.676 50 0 GJAAMO COc1ccc2oc(=O)cc(C[N@H+](Cc3ccco3)Cc3ccccc3)c2c1 ZINC000033018726 570518537 /nfs/dbraw/zinc/51/85/37/570518537.db2.gz KXOCWDFRSHMZLG-UHFFFAOYSA-N 1 1 375.424 4.597 50 0 GJAAMO COc1ccc2oc(=O)cc(C[N@@H+](Cc3ccco3)Cc3ccccc3)c2c1 ZINC000033018726 570518541 /nfs/dbraw/zinc/51/85/41/570518541.db2.gz KXOCWDFRSHMZLG-UHFFFAOYSA-N 1 1 375.424 4.597 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000033087172 570519703 /nfs/dbraw/zinc/51/97/03/570519703.db2.gz NYDOPDSWGPHEDB-FQEVSTJZSA-N 1 1 385.504 4.838 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)cc1 ZINC000036101950 570539017 /nfs/dbraw/zinc/53/90/17/570539017.db2.gz GXKRCBZUHIIWDD-VWLOTQADSA-N 1 1 393.502 4.714 50 0 GJAAMO COc1ccc(OC)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000035511280 570553934 /nfs/dbraw/zinc/55/39/34/570553934.db2.gz YUBKBXSOYSMKJD-LJQANCHMSA-N 1 1 396.491 4.542 50 0 GJAAMO COc1ccc(OC)c(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000035511280 570553940 /nfs/dbraw/zinc/55/39/40/570553940.db2.gz YUBKBXSOYSMKJD-LJQANCHMSA-N 1 1 396.491 4.542 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c(F)c1 ZINC000035986337 570559488 /nfs/dbraw/zinc/55/94/88/570559488.db2.gz GOHNMMIOXQNTHS-KRWDZBQOSA-N 1 1 383.442 4.743 50 0 GJAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345039 570563442 /nfs/dbraw/zinc/56/34/42/570563442.db2.gz DNEFRPPZDFADCU-QFIPXVFZSA-N 1 1 395.934 4.812 50 0 GJAAMO CN(C(=O)c1cccc2ccccc21)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011933860 570592885 /nfs/dbraw/zinc/59/28/85/570592885.db2.gz JTCKNBQBLZQMFG-QFIPXVFZSA-N 1 1 384.523 4.544 50 0 GJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)[C@@H]2CCOC2)c(C)s1 ZINC000012050396 570600874 /nfs/dbraw/zinc/60/08/74/570600874.db2.gz OJEVOHRVDYDNQU-QGZVFWFLSA-N 1 1 385.508 4.577 50 0 GJAAMO C[N@@H+](CCC1CCOCC1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012198823 570623817 /nfs/dbraw/zinc/62/38/17/570623817.db2.gz LGAYIYWLQUGZGL-UHFFFAOYSA-N 1 1 375.516 4.992 50 0 GJAAMO CC[N@@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(C)ccc1C)C(C)C ZINC000036342667 570625840 /nfs/dbraw/zinc/62/58/40/570625840.db2.gz GWFBQFURIKCOHH-HSZRJFAPSA-N 1 1 395.522 4.851 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3C)C2)cc1C ZINC000036344880 570627121 /nfs/dbraw/zinc/62/71/21/570627121.db2.gz FPVDQLCXQSULOR-XMMPIXPASA-N 1 1 389.543 4.775 50 0 GJAAMO Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036345546 570627980 /nfs/dbraw/zinc/62/79/80/570627980.db2.gz ZMERSNQVPOGWCK-XMMPIXPASA-N 1 1 389.543 4.937 50 0 GJAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3F)C2)c1 ZINC000036345501 570628087 /nfs/dbraw/zinc/62/80/87/570628087.db2.gz YDLBRDKQFPYYCB-QHCPKHFHSA-N 1 1 393.506 4.606 50 0 GJAAMO Cc1oc(-c2ccc(F)cc2)nc1C[NH+]1CCC([C@@H](O)c2cccs2)CC1 ZINC000012439438 570663537 /nfs/dbraw/zinc/66/35/37/570663537.db2.gz ARVXMRTXLDMDES-HXUWFJFHSA-N 1 1 386.492 4.796 50 0 GJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc2ncsc2c1 ZINC000033028446 570666219 /nfs/dbraw/zinc/66/62/19/570666219.db2.gz SMRLTTVDGXBIOH-SFHVURJKSA-N 1 1 385.920 4.517 50 0 GJAAMO OCCC[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012445472 570666255 /nfs/dbraw/zinc/66/62/55/570666255.db2.gz YBRRFTAXYGCSRG-QHCPKHFHSA-N 1 1 375.516 4.871 50 0 GJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Nc2ccccc2C)C1 ZINC000012571438 570681006 /nfs/dbraw/zinc/68/10/06/570681006.db2.gz XSGPVLBCHRIGEQ-OAQYLSRUSA-N 1 1 379.548 4.722 50 0 GJAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012588911 570685951 /nfs/dbraw/zinc/68/59/51/570685951.db2.gz HTDIVYGQDLLFRX-INIZCTEOSA-N 1 1 391.389 4.529 50 0 GJAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012588911 570685953 /nfs/dbraw/zinc/68/59/53/570685953.db2.gz HTDIVYGQDLLFRX-INIZCTEOSA-N 1 1 391.389 4.529 50 0 GJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccco1 ZINC000055529210 570696070 /nfs/dbraw/zinc/69/60/70/570696070.db2.gz WSIICYYMFRCISJ-UHFFFAOYSA-N 1 1 395.890 4.508 50 0 GJAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012706327 570700416 /nfs/dbraw/zinc/70/04/16/570700416.db2.gz CLBXALCPZRFTRU-GOSISDBHSA-N 1 1 385.891 4.646 50 0 GJAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012706327 570700417 /nfs/dbraw/zinc/70/04/17/570700417.db2.gz CLBXALCPZRFTRU-GOSISDBHSA-N 1 1 385.891 4.646 50 0 GJAAMO CCCN1CCC([N@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000012706246 570700645 /nfs/dbraw/zinc/70/06/45/570700645.db2.gz UDWOYAXVCGRDPW-QFIPXVFZSA-N 1 1 394.559 4.618 50 0 GJAAMO CCC[NH+]1CCC(N2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000012706246 570700647 /nfs/dbraw/zinc/70/06/47/570700647.db2.gz UDWOYAXVCGRDPW-QFIPXVFZSA-N 1 1 394.559 4.618 50 0 GJAAMO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000013063306 570744790 /nfs/dbraw/zinc/74/47/90/570744790.db2.gz SXZJEAIOYBAHNL-JTQLQIEISA-N 1 1 385.664 4.531 50 0 GJAAMO Cn1c(=S)n(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)nc1-c1ccc(Cl)cc1 ZINC000013071822 570745093 /nfs/dbraw/zinc/74/50/93/570745093.db2.gz MAARNTFVOZJWMX-PBHICJAKSA-N 1 1 376.957 4.884 50 0 GJAAMO Cn1c(=S)n(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)nc1-c1ccc(Cl)cc1 ZINC000013071822 570745096 /nfs/dbraw/zinc/74/50/96/570745096.db2.gz MAARNTFVOZJWMX-PBHICJAKSA-N 1 1 376.957 4.884 50 0 GJAAMO Cc1ccc(C[N@@H+](Cc2cc(=O)n3c4c(sc3n2)CCCC4)CC(C)C)cc1 ZINC000033068944 570773310 /nfs/dbraw/zinc/77/33/10/570773310.db2.gz RXJZEJOWRLDDTI-UHFFFAOYSA-N 1 1 395.572 4.601 50 0 GJAAMO C[N@@H+](Cc1cnc2c(-c3ccccc3)cnn2c1)Cc1cccc2cnccc21 ZINC000067641898 570784402 /nfs/dbraw/zinc/78/44/02/570784402.db2.gz AWIURTUUTGDFKQ-UHFFFAOYSA-N 1 1 379.467 4.577 50 0 GJAAMO CCc1[nH]c(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c(C)[nH+]1 ZINC000067756334 570789752 /nfs/dbraw/zinc/78/97/52/570789752.db2.gz GTQSBPSEXGNNFO-UHFFFAOYSA-N 1 1 397.906 4.701 50 0 GJAAMO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3C)oc2C)C[C@H]1O ZINC000067785966 570791089 /nfs/dbraw/zinc/79/10/89/570791089.db2.gz BDFXHIPOYVIFQX-UYAOXDASSA-N 1 1 382.529 4.679 50 0 GJAAMO Cc1ccsc1[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3C)oc2C)C[C@H]1O ZINC000067785966 570791091 /nfs/dbraw/zinc/79/10/91/570791091.db2.gz BDFXHIPOYVIFQX-UYAOXDASSA-N 1 1 382.529 4.679 50 0 GJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000065322223 570800066 /nfs/dbraw/zinc/80/00/66/570800066.db2.gz NVSCQGQEMOTRKX-UHFFFAOYSA-N 1 1 382.533 4.746 50 0 GJAAMO COc1cccc(NC(=S)N2CCC([N@@H+](C)C3CCCCCC3)CC2)c1 ZINC000004683200 570829638 /nfs/dbraw/zinc/82/96/38/570829638.db2.gz DNFZMNFFOQAXPN-UHFFFAOYSA-N 1 1 375.582 4.511 50 0 GJAAMO CCOc1ccc(C[N@H+](CC)Cc2sc(C)nc2C(F)(F)F)cc1OC ZINC000170595217 570852744 /nfs/dbraw/zinc/85/27/44/570852744.db2.gz FCHVJQQNTSBWSP-UHFFFAOYSA-N 1 1 388.455 4.900 50 0 GJAAMO CCOc1ccc(C[N@@H+](CC)Cc2sc(C)nc2C(F)(F)F)cc1OC ZINC000170595217 570852748 /nfs/dbraw/zinc/85/27/48/570852748.db2.gz FCHVJQQNTSBWSP-UHFFFAOYSA-N 1 1 388.455 4.900 50 0 GJAAMO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000003351482 570860569 /nfs/dbraw/zinc/86/05/69/570860569.db2.gz KMVJNMSFIRSGRR-HSZRJFAPSA-N 1 1 388.467 4.502 50 0 GJAAMO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4nc5ccccc5o4)C3)C2)cc1F ZINC000072154600 570874556 /nfs/dbraw/zinc/87/45/56/570874556.db2.gz KBGGKVSOFNCXGG-JOCHJYFZSA-N 1 1 383.442 4.599 50 0 GJAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4nc5ccccc5o4)C3)C2)cc1F ZINC000072154600 570874560 /nfs/dbraw/zinc/87/45/60/570874560.db2.gz KBGGKVSOFNCXGG-JOCHJYFZSA-N 1 1 383.442 4.599 50 0 GJAAMO CC(C)CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccoc1 ZINC000170615982 570874736 /nfs/dbraw/zinc/87/47/36/570874736.db2.gz CXVCQYWFVISCJS-IBGZPJMESA-N 1 1 392.565 4.624 50 0 GJAAMO Cc1ccc(-c2ccsc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000010220132 570892276 /nfs/dbraw/zinc/89/22/76/570892276.db2.gz DIJLVRSWDWXQKF-LJQANCHMSA-N 1 1 380.513 4.883 50 0 GJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000108069582 570981449 /nfs/dbraw/zinc/98/14/49/570981449.db2.gz ZFXHABJSDFWQQE-HNAYVOBHSA-N 1 1 392.396 4.601 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2c1 ZINC000012768321 571019961 /nfs/dbraw/zinc/01/99/61/571019961.db2.gz CIDOGYBHEOKVBE-ROUUACIJSA-N 1 1 376.500 4.546 50 0 GJAAMO O=C(Nc1ccccn1)c1ccc([C@@H]2CCC[N@@H+]2C/C=C/c2ccco2)s1 ZINC000019607375 571021231 /nfs/dbraw/zinc/02/12/31/571021231.db2.gz BDTLSZCVDVIXKY-ZVVFDCPKSA-N 1 1 379.485 4.839 50 0 GJAAMO O=C(Nc1ccccn1)c1ccc([C@@H]2CCC[N@H+]2C/C=C/c2ccco2)s1 ZINC000019607375 571021235 /nfs/dbraw/zinc/02/12/35/571021235.db2.gz BDTLSZCVDVIXKY-ZVVFDCPKSA-N 1 1 379.485 4.839 50 0 GJAAMO COc1cc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000037523585 571025104 /nfs/dbraw/zinc/02/51/04/571025104.db2.gz BEZYCDUTJSTZOS-HSZRJFAPSA-N 1 1 392.499 4.509 50 0 GJAAMO COc1cc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000037523585 571025108 /nfs/dbraw/zinc/02/51/08/571025108.db2.gz BEZYCDUTJSTZOS-HSZRJFAPSA-N 1 1 392.499 4.509 50 0 GJAAMO C[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000084718150 571032955 /nfs/dbraw/zinc/03/29/55/571032955.db2.gz MTLCJTGEUVTNQR-YJYMSZOUSA-N 1 1 390.405 4.719 50 0 GJAAMO C[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000084718150 571032958 /nfs/dbraw/zinc/03/29/58/571032958.db2.gz MTLCJTGEUVTNQR-YJYMSZOUSA-N 1 1 390.405 4.719 50 0 GJAAMO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037587637 571034382 /nfs/dbraw/zinc/03/43/82/571034382.db2.gz UEUMVEZMNPXGJU-UHFFFAOYSA-N 1 1 376.422 4.512 50 0 GJAAMO c1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)cc2)cc1 ZINC000095366949 571058848 /nfs/dbraw/zinc/05/88/48/571058848.db2.gz KTLHWLFJUORIJM-JYFHCDHNSA-N 1 1 383.539 4.845 50 0 GJAAMO CC[N@@H+](CCC(=O)Nc1ccc(Br)c(C)c1)Cc1ccccc1 ZINC000001177529 212225962 /nfs/dbraw/zinc/22/59/62/212225962.db2.gz IZPMIQXCORNEBS-UHFFFAOYSA-N 1 1 375.310 4.608 50 0 GJAAMO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000011839949 206226436 /nfs/dbraw/zinc/22/64/36/206226436.db2.gz AZZUVOVXHNWUPW-SFHVURJKSA-N 1 1 397.918 4.584 50 0 GJAAMO Cc1cccc(N2CCC([NH+]3CC[C@@]4(C3)CCC[N@@H+](CC3CCC3)C4)CC2)c1 ZINC000011821710 206226705 /nfs/dbraw/zinc/22/67/05/206226705.db2.gz ZYAXHGNGGZDGHD-VWLOTQADSA-N 1 1 381.608 4.552 50 0 GJAAMO O=C(NC[C@H]1CCC[N@H+](C2CCSCC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000014968604 207034915 /nfs/dbraw/zinc/03/49/15/207034915.db2.gz XOKYGYCBYPWHGN-LJQANCHMSA-N 1 1 394.584 4.691 50 0 GJAAMO CN(C(=O)c1cccc(-c2ccco2)c1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014980382 207039594 /nfs/dbraw/zinc/03/95/94/207039594.db2.gz QBLYGKPFOHSMDZ-NRFANRHFSA-N 1 1 392.474 4.822 50 0 GJAAMO CN(C(=O)c1cccc(-c2ccco2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014980382 207039598 /nfs/dbraw/zinc/03/95/98/207039598.db2.gz QBLYGKPFOHSMDZ-NRFANRHFSA-N 1 1 392.474 4.822 50 0 GJAAMO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000015064645 207043051 /nfs/dbraw/zinc/04/30/51/207043051.db2.gz IYBAOLQNPSBWHS-QFIPXVFZSA-N 1 1 387.495 4.997 50 0 GJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-n2ccc3ccccc32)s1 ZINC000015732319 207058818 /nfs/dbraw/zinc/05/88/18/207058818.db2.gz AYACOCUWFSQKEK-KRWDZBQOSA-N 1 1 381.545 4.686 50 0 GJAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)ccc1O ZINC000016042922 207071867 /nfs/dbraw/zinc/07/18/67/207071867.db2.gz XOZQFEQVRDICDF-KGLROXSOSA-N 1 1 393.527 4.782 50 0 GJAAMO C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000020452533 207193882 /nfs/dbraw/zinc/19/38/82/207193882.db2.gz DQOKJQILRLFNAO-HNNXBMFYSA-N 1 1 389.455 4.787 50 0 GJAAMO CCOc1ccc(C(=O)c2c[nH+]c3ccc(OC)cc3c2N2CCCCC2)cc1 ZINC000021158443 207227509 /nfs/dbraw/zinc/22/75/09/207227509.db2.gz KARICNJJRLSZLU-UHFFFAOYSA-N 1 1 390.483 4.863 50 0 GJAAMO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1O ZINC000022078012 207247039 /nfs/dbraw/zinc/24/70/39/207247039.db2.gz NRYRZMSEIXKEEC-NRFANRHFSA-N 1 1 376.500 4.947 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1O ZINC000022078012 207247041 /nfs/dbraw/zinc/24/70/41/207247041.db2.gz NRYRZMSEIXKEEC-NRFANRHFSA-N 1 1 376.500 4.947 50 0 GJAAMO COc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1O ZINC000022078015 207247127 /nfs/dbraw/zinc/24/71/27/207247127.db2.gz NRYRZMSEIXKEEC-OAQYLSRUSA-N 1 1 376.500 4.947 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1O ZINC000022078015 207247129 /nfs/dbraw/zinc/24/71/29/207247129.db2.gz NRYRZMSEIXKEEC-OAQYLSRUSA-N 1 1 376.500 4.947 50 0 GJAAMO CCCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027662185 207328868 /nfs/dbraw/zinc/32/88/68/207328868.db2.gz BSWSKCMQIXIINZ-HXUWFJFHSA-N 1 1 386.923 4.696 50 0 GJAAMO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027664505 207329080 /nfs/dbraw/zinc/32/90/80/207329080.db2.gz UUQXPUIKCGLFEU-NRFANRHFSA-N 1 1 386.923 4.696 50 0 GJAAMO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029828574 207366976 /nfs/dbraw/zinc/36/69/76/207366976.db2.gz CXGLHCLTISEDEY-INIZCTEOSA-N 1 1 395.528 4.758 50 0 GJAAMO CC[C@H]1C[N@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CCO1 ZINC000072411688 208018254 /nfs/dbraw/zinc/01/82/54/208018254.db2.gz KEMWOKLUGFSQGX-QFIPXVFZSA-N 1 1 379.479 4.598 50 0 GJAAMO CC[C@H]1C[N@@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CCO1 ZINC000072411688 208018260 /nfs/dbraw/zinc/01/82/60/208018260.db2.gz KEMWOKLUGFSQGX-QFIPXVFZSA-N 1 1 379.479 4.598 50 0 GJAAMO CC(C)n1cc(CCCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079193274 208073006 /nfs/dbraw/zinc/07/30/06/208073006.db2.gz GNZVPDSPCKPLRR-NZQKXSOJSA-N 1 1 395.591 4.926 50 0 biogenic GJAAMO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000003218126 208508624 /nfs/dbraw/zinc/50/86/24/208508624.db2.gz WWHNPYHAPGJOIR-UHFFFAOYSA-N 1 1 377.513 4.902 50 0 GJAAMO [NH3+][C@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000008628736 221047341 /nfs/dbraw/zinc/04/73/41/221047341.db2.gz NFOWIDAVDJHUOG-MRXNPFEDSA-N 1 1 384.892 4.739 50 0 GJAAMO CCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000008654862 221048922 /nfs/dbraw/zinc/04/89/22/221048922.db2.gz CXFJGKOXAWBBHM-OAQYLSRUSA-N 1 1 386.923 4.696 50 0 GJAAMO Fc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000011878261 221134425 /nfs/dbraw/zinc/13/44/25/221134425.db2.gz CZEAHMRCTYLJJX-JOCHJYFZSA-N 1 1 392.534 4.600 50 0 GJAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(C)c(C)o3)C2)c(C)c1 ZINC000011874321 221134974 /nfs/dbraw/zinc/13/49/74/221134974.db2.gz ZZUMPYMBUMZBOR-IBGZPJMESA-N 1 1 384.520 4.844 50 0 GJAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1C ZINC000012167313 221161624 /nfs/dbraw/zinc/16/16/24/221161624.db2.gz QHNXDUIZOIXQEO-GOSISDBHSA-N 1 1 397.954 4.943 50 0 GJAAMO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000012206404 221167529 /nfs/dbraw/zinc/16/75/29/221167529.db2.gz ASMKLRRDEVPTGO-QQRRWSATSA-N 1 1 397.515 4.675 50 0 GJAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)c(OC)c1 ZINC000012207068 221167960 /nfs/dbraw/zinc/16/79/60/221167960.db2.gz UXSVRUARIPGQDL-KRWDZBQOSA-N 1 1 379.456 4.545 50 0 GJAAMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1OC ZINC000012574599 221208872 /nfs/dbraw/zinc/20/88/72/221208872.db2.gz JRPJPQUPKCQJGL-LJQANCHMSA-N 1 1 397.515 4.586 50 0 GJAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012585271 221210011 /nfs/dbraw/zinc/21/00/11/221210011.db2.gz VCCRFAZUYUPLNS-DXSBJVNVSA-N 1 1 385.935 4.679 50 0 GJAAMO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)cc1C ZINC000012578673 221210449 /nfs/dbraw/zinc/21/04/49/221210449.db2.gz JEUZFPRHZYURLI-XMMPIXPASA-N 1 1 398.497 4.710 50 0 GJAAMO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)cc1C ZINC000012578673 221210451 /nfs/dbraw/zinc/21/04/51/221210451.db2.gz JEUZFPRHZYURLI-XMMPIXPASA-N 1 1 398.497 4.710 50 0 GJAAMO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000012593756 221213504 /nfs/dbraw/zinc/21/35/04/221213504.db2.gz SQPUDXPZIQEZIU-IBGZPJMESA-N 1 1 377.513 4.661 50 0 GJAAMO Cc1oc(-c2ccccc2F)nc1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000012593394 221211350 /nfs/dbraw/zinc/21/13/50/221211350.db2.gz GBSWNFJQTFEOPV-IBGZPJMESA-N 1 1 380.463 4.970 50 0 GJAAMO Cc1oc(-c2ccccc2F)nc1C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000012593394 221211354 /nfs/dbraw/zinc/21/13/54/221211354.db2.gz GBSWNFJQTFEOPV-IBGZPJMESA-N 1 1 380.463 4.970 50 0 GJAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1)NC1CC1 ZINC000012754317 221225434 /nfs/dbraw/zinc/22/54/34/221225434.db2.gz UQUCKPPCDFUNOY-HXUWFJFHSA-N 1 1 392.543 4.536 50 0 GJAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)cc1C ZINC000014964107 221322258 /nfs/dbraw/zinc/32/22/58/221322258.db2.gz HCDYMNOYVMRZBI-OAQYLSRUSA-N 1 1 379.500 4.610 50 0 GJAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)cc1C ZINC000014964107 221322260 /nfs/dbraw/zinc/32/22/60/221322260.db2.gz HCDYMNOYVMRZBI-OAQYLSRUSA-N 1 1 379.500 4.610 50 0 GJAAMO COc1ccc(F)c(-c2nc(C[N@H+](C)Cc3cccc4ncccc34)c(C)o2)c1 ZINC000014974308 221323419 /nfs/dbraw/zinc/32/34/19/221323419.db2.gz MJDNIAQYXOMEKF-UHFFFAOYSA-N 1 1 391.446 4.978 50 0 GJAAMO COc1ccc(F)c(-c2nc(C[N@@H+](C)Cc3cccc4ncccc34)c(C)o2)c1 ZINC000014974308 221323420 /nfs/dbraw/zinc/32/34/20/221323420.db2.gz MJDNIAQYXOMEKF-UHFFFAOYSA-N 1 1 391.446 4.978 50 0 GJAAMO Cc1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)s1 ZINC000015066279 221329651 /nfs/dbraw/zinc/32/96/51/221329651.db2.gz VABAEDOLIMDCMX-SFHVURJKSA-N 1 1 376.525 4.798 50 0 GJAAMO C[N@@H+](CC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCCc2ccccc21 ZINC000016342779 221360655 /nfs/dbraw/zinc/36/06/55/221360655.db2.gz PWJCZTFDNYRRRJ-QGZVFWFLSA-N 1 1 376.472 4.949 50 0 GJAAMO CCOc1ccc(NC(=S)N2CCC[N@H+](Cc3cc(C)ccc3C)C2)cc1 ZINC000058096628 222040085 /nfs/dbraw/zinc/04/00/85/222040085.db2.gz OOJYVOXEFZVRNL-UHFFFAOYSA-N 1 1 383.561 4.564 50 0 GJAAMO CCOc1ccc(NC(=S)N2CCC[N@@H+](Cc3cc(C)ccc3C)C2)cc1 ZINC000058096628 222040088 /nfs/dbraw/zinc/04/00/88/222040088.db2.gz OOJYVOXEFZVRNL-UHFFFAOYSA-N 1 1 383.561 4.564 50 0 GJAAMO Cc1ncc(CN(C)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)s1 ZINC000058265657 222047616 /nfs/dbraw/zinc/04/76/16/222047616.db2.gz WRHNBVZIZDSURC-UHFFFAOYSA-N 1 1 386.565 4.880 50 0 GJAAMO CC[N@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccccc1C ZINC000059833650 222058380 /nfs/dbraw/zinc/05/83/80/222058380.db2.gz PBTPYSMBYBDJGI-UHFFFAOYSA-N 1 1 392.322 4.891 50 0 GJAAMO CC[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccccc1C ZINC000059833650 222058387 /nfs/dbraw/zinc/05/83/87/222058387.db2.gz PBTPYSMBYBDJGI-UHFFFAOYSA-N 1 1 392.322 4.891 50 0 GJAAMO c1ccc(C(c2n[nH]c3c2C[N@H+](Cc2cccnc2)CC3)c2ccccc2)cc1 ZINC000067867927 222163201 /nfs/dbraw/zinc/16/32/01/222163201.db2.gz JFZHZJHVLMLWLD-UHFFFAOYSA-N 1 1 380.495 4.543 50 0 GJAAMO c1ccc(C(c2n[nH]c3c2C[N@@H+](Cc2cccnc2)CC3)c2ccccc2)cc1 ZINC000067867927 222163205 /nfs/dbraw/zinc/16/32/05/222163205.db2.gz JFZHZJHVLMLWLD-UHFFFAOYSA-N 1 1 380.495 4.543 50 0 GJAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)o1 ZINC000072159084 222213678 /nfs/dbraw/zinc/21/36/78/222213678.db2.gz UZUNMWYFIUBZGC-INIZCTEOSA-N 1 1 394.437 4.503 50 0 GJAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000072433514 222260480 /nfs/dbraw/zinc/26/04/80/222260480.db2.gz VXFVSYZOKZXGSB-INIZCTEOSA-N 1 1 396.918 4.768 50 0 GJAAMO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000095941371 222362091 /nfs/dbraw/zinc/36/20/91/222362091.db2.gz HGQMZYPPJOJDLH-UONOGXRCSA-N 1 1 386.446 4.573 50 0 GJAAMO O=C1O[C@@H](C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CN1c1ccccc1 ZINC000246498332 534819579 /nfs/dbraw/zinc/81/95/79/534819579.db2.gz AVMRGZGIBIDZSR-UGKGYDQZSA-N 1 1 375.472 4.720 50 0 GJAAMO Fc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1Br ZINC000244866499 526333310 /nfs/dbraw/zinc/33/33/10/526333310.db2.gz VXCVNBYMELAWRG-WOJBJXKFSA-N 1 1 395.360 4.817 50 0 GJAAMO O=C(NCc1nccs1)c1ccc([C@@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000023505196 526831884 /nfs/dbraw/zinc/83/18/84/526831884.db2.gz HYRUOCGSOFAGKG-HNNXBMFYSA-N 1 1 375.563 4.604 50 0 GJAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000023307447 570229352 /nfs/dbraw/zinc/22/93/52/570229352.db2.gz YSSQVHJCCMTAAI-VWLOTQADSA-N 1 1 384.523 4.851 50 0 GJAAMO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012913087 570292407 /nfs/dbraw/zinc/29/24/07/570292407.db2.gz VJSTUMBSQPNXMV-AWEZNQCLSA-N 1 1 379.485 4.746 50 0 GJAAMO Cc1ccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012913087 570292410 /nfs/dbraw/zinc/29/24/10/570292410.db2.gz VJSTUMBSQPNXMV-AWEZNQCLSA-N 1 1 379.485 4.746 50 0 GJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000004906425 570362494 /nfs/dbraw/zinc/36/24/94/570362494.db2.gz FIBHZBDKDIQOPU-IBGZPJMESA-N 1 1 379.504 4.674 50 0 GJAAMO Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000090443176 570376090 /nfs/dbraw/zinc/37/60/90/570376090.db2.gz RCQUCMYEGJIJQZ-SANMLTNESA-N 1 1 396.538 4.779 50 0 GJAAMO c1cc(-c2noc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cs1 ZINC000024601474 570386962 /nfs/dbraw/zinc/38/69/62/570386962.db2.gz XNRAXKFSESFHDJ-CYBMUJFWSA-N 1 1 382.514 4.787 50 0 GJAAMO c1cc(-c2noc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cs1 ZINC000024601474 570386966 /nfs/dbraw/zinc/38/69/66/570386966.db2.gz XNRAXKFSESFHDJ-CYBMUJFWSA-N 1 1 382.514 4.787 50 0 GJAAMO c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000024601900 570387255 /nfs/dbraw/zinc/38/72/55/570387255.db2.gz LJQYRDXTOZPAPI-MRXNPFEDSA-N 1 1 376.485 4.726 50 0 GJAAMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cccc2cccnc21 ZINC000004783835 570405367 /nfs/dbraw/zinc/40/53/67/570405367.db2.gz ZKRHPOBCSVWQKT-UHFFFAOYSA-N 1 1 381.479 4.876 50 0 GJAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)N3CCCCC3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063926 570526119 /nfs/dbraw/zinc/52/61/19/570526119.db2.gz ALXRYPQLZALUSQ-IBGZPJMESA-N 1 1 383.536 4.656 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)N3CCCCC3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063926 570526122 /nfs/dbraw/zinc/52/61/22/570526122.db2.gz ALXRYPQLZALUSQ-IBGZPJMESA-N 1 1 383.536 4.656 50 0 GJAAMO Cc1ccccc1[C@H](CC(=O)NCc1ccccc1)c1c[nH+]c2n1[C@@H](C)CCC2 ZINC000034920146 570547633 /nfs/dbraw/zinc/54/76/33/570547633.db2.gz JUTOGSUCPDTFSX-UGKGYDQZSA-N 1 1 387.527 4.927 50 0 GJAAMO Cc1cccc(NC(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022906864 570563572 /nfs/dbraw/zinc/56/35/72/570563572.db2.gz NYCGWSPCGOUWDX-OAQYLSRUSA-N 1 1 375.472 4.509 50 0 GJAAMO Cc1cccc(NC(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022906864 570563574 /nfs/dbraw/zinc/56/35/74/570563574.db2.gz NYCGWSPCGOUWDX-OAQYLSRUSA-N 1 1 375.472 4.509 50 0 GJAAMO Cc1ccccc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022907708 570564355 /nfs/dbraw/zinc/56/43/55/570564355.db2.gz RCAOVTMZVYKBMC-OAQYLSRUSA-N 1 1 376.525 4.586 50 0 GJAAMO Cc1ccccc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022907708 570564357 /nfs/dbraw/zinc/56/43/57/570564357.db2.gz RCAOVTMZVYKBMC-OAQYLSRUSA-N 1 1 376.525 4.586 50 0 GJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1 ZINC000006764042 570575932 /nfs/dbraw/zinc/57/59/32/570575932.db2.gz ZSANJFUGFUNHSZ-HDICACEKSA-N 1 1 382.552 4.534 50 0 GJAAMO CC[C@H]1CCCC[N@H+]1Cc1cc2ccc(C)cc2n(Cc2ccccn2)c1=O ZINC000011790769 570582953 /nfs/dbraw/zinc/58/29/53/570582953.db2.gz PFALLNDDLCGMTA-QFIPXVFZSA-N 1 1 375.516 4.518 50 0 GJAAMO C[C@H](CC[N@H+]1CCOc2ccc([C@H](O)c3cccnc3)cc2C1)c1ccccc1 ZINC000039413067 570590801 /nfs/dbraw/zinc/59/08/01/570590801.db2.gz UOKLAXQCSHMGJM-CLOONOSVSA-N 1 1 388.511 4.552 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)cc1 ZINC000012029277 570599565 /nfs/dbraw/zinc/59/95/65/570599565.db2.gz 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CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000036346385 570628685 /nfs/dbraw/zinc/62/86/85/570628685.db2.gz RBJJCAUURIPFCA-KRWDZBQOSA-N 1 1 397.494 4.705 50 0 GJAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)cc(OC)c1 ZINC000036347240 570629179 /nfs/dbraw/zinc/62/91/79/570629179.db2.gz DTHFBKJEHLFMNY-XMMPIXPASA-N 1 1 376.500 4.809 50 0 GJAAMO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)CC(C)C)C3)c(C)o2)ccc1F ZINC000012431546 570659502 /nfs/dbraw/zinc/65/95/02/570659502.db2.gz MXJUYFGJKRZTTI-KRWDZBQOSA-N 1 1 388.483 4.625 50 0 GJAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@H](C(=O)CC(C)C)C3)c(C)o2)ccc1F ZINC000012431546 570659507 /nfs/dbraw/zinc/65/95/07/570659507.db2.gz MXJUYFGJKRZTTI-KRWDZBQOSA-N 1 1 388.483 4.625 50 0 GJAAMO CCc1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877406 570668489 /nfs/dbraw/zinc/66/84/89/570668489.db2.gz IKBAEIINVGGFMM-IBGZPJMESA-N 1 1 377.532 4.551 50 0 GJAAMO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)cc1 ZINC000012574274 570681870 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570874147 /nfs/dbraw/zinc/87/41/47/570874147.db2.gz XBRFIRIBNIVPME-UHFFFAOYSA-N 1 1 384.505 4.622 50 0 GJAAMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268797 570893101 /nfs/dbraw/zinc/89/31/01/570893101.db2.gz FOQPNWUCQDICHM-UHFFFAOYSA-N 1 1 393.487 4.584 50 0 GJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000004027804 570907839 /nfs/dbraw/zinc/90/78/39/570907839.db2.gz KHFKPQUVHDDJDC-NKKJXINNSA-N 1 1 389.539 4.800 50 0 biogenic GJAAMO C[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000097228483 570909163 /nfs/dbraw/zinc/90/91/63/570909163.db2.gz QSCAIQOAPUXSNC-MRXNPFEDSA-N 1 1 391.540 4.664 50 0 GJAAMO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000105609456 570930621 /nfs/dbraw/zinc/93/06/21/570930621.db2.gz DIQDPEGWMNLOHF-HNNXBMFYSA-N 1 1 395.528 4.756 50 0 GJAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+]([C@H]1CCSC1)CC2 ZINC000002472590 570932727 /nfs/dbraw/zinc/93/27/27/570932727.db2.gz 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CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)c2ccccc2n3CC)C1 ZINC000000755679 212179911 /nfs/dbraw/zinc/17/99/11/212179911.db2.gz SLDGLVDRWSLZIW-FQEVSTJZSA-N 1 1 391.559 4.895 50 0 GJAAMO CCCC[N@@H+](C)C1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000014982630 207038616 /nfs/dbraw/zinc/03/86/16/207038616.db2.gz CVBMRNVJPGJCLV-FQEVSTJZSA-N 1 1 393.575 4.878 50 0 GJAAMO CCc1ncc(C[NH2+]Cc2cccnc2Oc2cccc(C(F)(F)F)c2)cn1 ZINC000015078355 207045655 /nfs/dbraw/zinc/04/56/55/207045655.db2.gz ZJJDITXPIPZWFK-UHFFFAOYSA-N 1 1 388.393 4.535 50 0 GJAAMO Cc1ccc2nc3sc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)cc3cc2c1 ZINC000015784582 207060435 /nfs/dbraw/zinc/06/04/35/207060435.db2.gz IEUOFGLTUVKAQI-MRXNPFEDSA-N 1 1 381.545 4.752 50 0 GJAAMO O=C([C@H]1C[C@H]1c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019827571 207165034 /nfs/dbraw/zinc/16/50/34/207165034.db2.gz XHQJYSCHUQBXDN-DQEYMECFSA-N 1 1 396.534 4.724 50 0 GJAAMO Cc1ccc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020100593 207177922 /nfs/dbraw/zinc/17/79/22/207177922.db2.gz NNVWIVSGXBUMSV-UHFFFAOYSA-N 1 1 385.511 4.934 50 0 GJAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4sccc4C3)cc2)cc1 ZINC000022277759 207251183 /nfs/dbraw/zinc/25/11/83/207251183.db2.gz ZNVXEHNFOAXYDR-UHFFFAOYSA-N 1 1 378.497 4.567 50 0 GJAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)CCc2cn[nH]c2)cc1 ZINC000072458272 208027234 /nfs/dbraw/zinc/02/72/34/208027234.db2.gz CRRQALXWDABCHY-UHFFFAOYSA-N 1 1 386.499 4.616 50 0 GJAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccc4occc4c2)C3)cc1 ZINC000095365475 208164277 /nfs/dbraw/zinc/16/42/77/208164277.db2.gz GUHLHTGGOVXCDW-RBBKRZOGSA-N 1 1 376.500 4.538 50 0 GJAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccc4occc4c3)C2)cc1 ZINC000095365475 208164285 /nfs/dbraw/zinc/16/42/85/208164285.db2.gz GUHLHTGGOVXCDW-RBBKRZOGSA-N 1 1 376.500 4.538 50 0 GJAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccc4occc4c3)C2)cc1 ZINC000095365475 208164289 /nfs/dbraw/zinc/16/42/89/208164289.db2.gz GUHLHTGGOVXCDW-RBBKRZOGSA-N 1 1 376.500 4.538 50 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221124932 /nfs/dbraw/zinc/12/49/32/221124932.db2.gz OTNLDWARHDEPAZ-QGZVFWFLSA-N 1 1 378.875 4.573 50 0 GJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000011822056 221129766 /nfs/dbraw/zinc/12/97/66/221129766.db2.gz AJQVVIONEDGXIE-NRFANRHFSA-N 1 1 393.512 4.929 50 0 GJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000011822056 221129767 /nfs/dbraw/zinc/12/97/67/221129767.db2.gz AJQVVIONEDGXIE-NRFANRHFSA-N 1 1 393.512 4.929 50 0 GJAAMO CCn1c2ccccc2nc1C[NH2+][C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000011664488 221120810 /nfs/dbraw/zinc/12/08/10/221120810.db2.gz DMBLXRMPLCVMAP-SFHVURJKSA-N 1 1 389.478 4.548 50 0 GJAAMO CC(=O)c1cccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)c1 ZINC000011707100 221122485 /nfs/dbraw/zinc/12/24/85/221122485.db2.gz MUQCUIXGWFWQEJ-HSZRJFAPSA-N 1 1 378.560 4.584 50 0 GJAAMO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000011935520 221138936 /nfs/dbraw/zinc/13/89/36/221138936.db2.gz NYYRUXGHQBHJJI-SFHVURJKSA-N 1 1 381.520 4.561 50 0 GJAAMO COc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000011935520 221138937 /nfs/dbraw/zinc/13/89/37/221138937.db2.gz NYYRUXGHQBHJJI-SFHVURJKSA-N 1 1 381.520 4.561 50 0 GJAAMO COC[C@H]1CC[N@@H+](Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)C1 ZINC000011952066 221140993 /nfs/dbraw/zinc/14/09/93/221140993.db2.gz FMUCJWTVQJTHST-KRWDZBQOSA-N 1 1 397.469 4.594 50 0 GJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4cc(C(C)C)n[nH]4)C3)ccc2c1 ZINC000012300217 221177401 /nfs/dbraw/zinc/17/74/01/221177401.db2.gz XXMBUQGZVAKEEL-HXUWFJFHSA-N 1 1 391.515 4.790 50 0 GJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4cc(C(C)C)n[nH]4)C3)ccc2c1 ZINC000012300217 221177405 /nfs/dbraw/zinc/17/74/05/221177405.db2.gz XXMBUQGZVAKEEL-HXUWFJFHSA-N 1 1 391.515 4.790 50 0 GJAAMO O[C@@H](C[N@@H+]1CC=C(/C=C/c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000013125108 221261871 /nfs/dbraw/zinc/26/18/71/221261871.db2.gz VABIWRWPHBKECP-BXKJMJEDSA-N 1 1 384.317 4.828 50 0 GJAAMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(OCCO)cc1)C[C@H](c1ccsc1)O2 ZINC000014951669 221320487 /nfs/dbraw/zinc/32/04/87/221320487.db2.gz GULDGPKLUVJVSM-HSZRJFAPSA-N 1 1 395.524 4.564 50 0 GJAAMO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc(C)c1O ZINC000015063358 221327767 /nfs/dbraw/zinc/32/77/67/221327767.db2.gz PTWMSQHPLDQMKR-FQEVSTJZSA-N 1 1 384.539 4.535 50 0 GJAAMO C[N@H+]1CCN(c2ncnc3sc(-c4ccccc4)cc32)[C@H](c2ccccc2)C1 ZINC000006550933 136195048 /nfs/dbraw/zinc/19/50/48/136195048.db2.gz ULJRGQYLDMOZIX-FQEVSTJZSA-N 1 1 386.524 4.851 50 0 GJAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1c[nH]c2ccccc12 ZINC000057364711 222032070 /nfs/dbraw/zinc/03/20/70/222032070.db2.gz JSSINBPDZPKWFY-HNNXBMFYSA-N 1 1 375.497 4.840 50 0 GJAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1c[nH]c2ccccc12 ZINC000057364711 222032077 /nfs/dbraw/zinc/03/20/77/222032077.db2.gz JSSINBPDZPKWFY-HNNXBMFYSA-N 1 1 375.497 4.840 50 0 GJAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2-n2cccn2)C1 ZINC000055254522 222018169 /nfs/dbraw/zinc/01/81/69/222018169.db2.gz XIVYSLHGKXUJTD-GOSISDBHSA-N 1 1 379.529 4.646 50 0 GJAAMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)c3cccs3)C2)c(-c2cccc(Cl)c2)n1 ZINC000055576273 222022227 /nfs/dbraw/zinc/02/22/27/222022227.db2.gz HEWQDFAAGKMZNX-INIZCTEOSA-N 1 1 399.947 4.897 50 0 GJAAMO COc1ccc(Cl)cc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058131123 222040223 /nfs/dbraw/zinc/04/02/23/222040223.db2.gz DZYREVOWAYBPOT-UHFFFAOYSA-N 1 1 380.875 4.666 50 0 GJAAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000065322262 222123251 /nfs/dbraw/zinc/12/32/51/222123251.db2.gz XJOROYKSQBJMSO-UHFFFAOYSA-N 1 1 376.504 4.855 50 0 GJAAMO CCCc1cc(Cn2cnc(-c3ccccc3)c2[C@H]2CCC[N@@H+](CC)C2)on1 ZINC000065408248 222128320 /nfs/dbraw/zinc/12/83/20/222128320.db2.gz LYPNVFXGPQEHLD-IBGZPJMESA-N 1 1 378.520 4.738 50 0 GJAAMO Oc1cccc(C[N@@H+](Cc2sccc2Br)C2CCC(O)CC2)c1 ZINC000068973026 222172589 /nfs/dbraw/zinc/17/25/89/222172589.db2.gz HTKMUIRLOAYPBL-UHFFFAOYSA-N 1 1 396.350 4.522 50 0 GJAAMO Oc1cccc(C[N@H+](Cc2sccc2Br)C2CCC(O)CC2)c1 ZINC000068973026 222172593 /nfs/dbraw/zinc/17/25/93/222172593.db2.gz HTKMUIRLOAYPBL-UHFFFAOYSA-N 1 1 396.350 4.522 50 0 GJAAMO CCc1nccc(C[N@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)n1 ZINC000071419597 222183130 /nfs/dbraw/zinc/18/31/30/222183130.db2.gz PWSZXTQLZIZUDM-MRXNPFEDSA-N 1 1 377.454 4.903 50 0 GJAAMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000071816975 222197650 /nfs/dbraw/zinc/19/76/50/222197650.db2.gz HRYRWWJFGBLQSP-OAQYLSRUSA-N 1 1 381.907 4.990 50 0 GJAAMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000071816975 222197656 /nfs/dbraw/zinc/19/76/56/222197656.db2.gz HRYRWWJFGBLQSP-OAQYLSRUSA-N 1 1 381.907 4.990 50 0 GJAAMO Cc1ccccc1NC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000071853609 222200252 /nfs/dbraw/zinc/20/02/52/222200252.db2.gz SGLSBFLEUCRPCI-UHFFFAOYSA-N 1 1 382.895 4.775 50 0 GJAAMO CCc1ccc(CN(C)C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)nc1 ZINC000096162169 222393629 /nfs/dbraw/zinc/39/36/29/222393629.db2.gz QZMOSYMAGIUXGA-GOSISDBHSA-N 1 1 380.536 4.682 50 0 GJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)s1 ZINC000019740228 570212271 /nfs/dbraw/zinc/21/22/71/570212271.db2.gz LAKIIGLCFPJOLS-GOSISDBHSA-N 1 1 394.544 4.785 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)NCc1ccccc1F ZINC000020540626 570266703 /nfs/dbraw/zinc/26/67/03/570266703.db2.gz NZHMMETXQXTWFM-ISPXXFMDSA-N 1 1 380.507 4.648 50 0 GJAAMO CCNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(-c3ccccn3)cc2)s1 ZINC000020541094 570266768 /nfs/dbraw/zinc/26/67/68/570266768.db2.gz XVWRMPCNCNFTAM-HXUWFJFHSA-N 1 1 391.540 4.897 50 0 GJAAMO CCOC(=O)Cn1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)c2ccccc21 ZINC000021719825 570294980 /nfs/dbraw/zinc/29/49/80/570294980.db2.gz COSXFYCJZXEVTF-NRFANRHFSA-N 1 1 395.503 4.653 50 0 GJAAMO CCOC(=O)Cn1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c2ccccc21 ZINC000021719825 570294982 /nfs/dbraw/zinc/29/49/82/570294982.db2.gz COSXFYCJZXEVTF-NRFANRHFSA-N 1 1 395.503 4.653 50 0 GJAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1ccccc1)C(C)C ZINC000034740646 570327207 /nfs/dbraw/zinc/32/72/07/570327207.db2.gz SZJPPQFHOZUYTL-JTHBVZDNSA-N 1 1 384.951 4.813 50 0 GJAAMO CC(C)c1ccc(C[NH+]2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000022804603 570328981 /nfs/dbraw/zinc/32/89/81/570328981.db2.gz ZUKBRFAXCUODOC-IBGZPJMESA-N 1 1 390.531 4.739 50 0 GJAAMO C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000004183072 570361501 /nfs/dbraw/zinc/36/15/01/570361501.db2.gz UHSNXGHTSUFAOZ-BERWSQRFSA-N 1 1 383.576 4.626 50 0 GJAAMO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1Cl ZINC000024364486 570382902 /nfs/dbraw/zinc/38/29/02/570382902.db2.gz JVFQLHFJANPFHZ-CQSZACIVSA-N 1 1 386.879 4.671 50 0 GJAAMO C[C@H]([NH2+]CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)c1ccco1 ZINC000024985053 570401743 /nfs/dbraw/zinc/40/17/43/570401743.db2.gz QRHDYFKUAHGKTE-QFBILLFUSA-N 1 1 378.497 4.810 50 0 GJAAMO C[C@@H]([NH2+]CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)c1ccco1 ZINC000024985049 570401784 /nfs/dbraw/zinc/40/17/84/570401784.db2.gz QRHDYFKUAHGKTE-VQIMIIECSA-N 1 1 378.497 4.810 50 0 GJAAMO C[NH2+][C@@H](c1nnnn1-c1c(C)cccc1C)c1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000035622713 570404257 /nfs/dbraw/zinc/40/42/57/570404257.db2.gz XEGJZAWQNJBNGG-HXUWFJFHSA-N 1 1 393.535 4.540 50 0 GJAAMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012982206 570406942 /nfs/dbraw/zinc/40/69/42/570406942.db2.gz SSGJFHLYPPBOOR-QAPCUYQASA-N 1 1 392.952 4.757 50 0 GJAAMO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)n(-c2ccccc2)n1 ZINC000242273731 570432548 /nfs/dbraw/zinc/43/25/48/570432548.db2.gz YFLXIDPCNZJUOK-OALUTQOASA-N 1 1 394.563 4.620 50 0 GJAAMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000248125014 570442301 /nfs/dbraw/zinc/44/23/01/570442301.db2.gz OJMORDKMELMKPD-HOCLYGCPSA-N 1 1 385.558 4.714 50 0 GJAAMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000248125014 570442304 /nfs/dbraw/zinc/44/23/04/570442304.db2.gz OJMORDKMELMKPD-HOCLYGCPSA-N 1 1 385.558 4.714 50 0 GJAAMO COc1ccc(-c2nnc(C[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)o2)cc1 ZINC000089455416 570453505 /nfs/dbraw/zinc/45/35/05/570453505.db2.gz RVKDXHPKOYZFHQ-UHFFFAOYSA-N 1 1 386.455 4.516 50 0 GJAAMO COc1ccc(-c2nnc(C[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)o2)cc1 ZINC000089455416 570453508 /nfs/dbraw/zinc/45/35/08/570453508.db2.gz RVKDXHPKOYZFHQ-UHFFFAOYSA-N 1 1 386.455 4.516 50 0 GJAAMO CC(=O)CCc1ccc(OCCCC[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006624525 570508643 /nfs/dbraw/zinc/50/86/43/570508643.db2.gz ZDJWZOVLYUADGD-XMMPIXPASA-N 1 1 380.532 4.989 50 0 biogenic GJAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065612 570526106 /nfs/dbraw/zinc/52/61/06/570526106.db2.gz NSNDGQNOGGFKDR-LJQANCHMSA-N 1 1 385.552 4.724 50 0 GJAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065612 570526110 /nfs/dbraw/zinc/52/61/10/570526110.db2.gz NSNDGQNOGGFKDR-LJQANCHMSA-N 1 1 385.552 4.724 50 0 GJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104103 570540856 /nfs/dbraw/zinc/54/08/56/570540856.db2.gz RUOVADTYGGUNNG-QFIPXVFZSA-N 1 1 397.465 4.715 50 0 GJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104103 570540859 /nfs/dbraw/zinc/54/08/59/570540859.db2.gz RUOVADTYGGUNNG-QFIPXVFZSA-N 1 1 397.465 4.715 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)cc(C)[nH+]1 ZINC000064801431 570547263 /nfs/dbraw/zinc/54/72/63/570547263.db2.gz CYIQMXFGZLRTJS-UHFFFAOYSA-N 1 1 398.417 4.883 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c(OC)c1 ZINC000042881842 570623527 /nfs/dbraw/zinc/62/35/27/570623527.db2.gz PTZAOSRQMFCTFH-GOSISDBHSA-N 1 1 395.478 4.613 50 0 GJAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000036340941 570625301 /nfs/dbraw/zinc/62/53/01/570625301.db2.gz MXBDNNMPCUPFHZ-OAQYLSRUSA-N 1 1 399.897 4.643 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3C)C2)cc1C ZINC000036344879 570627011 /nfs/dbraw/zinc/62/70/11/570627011.db2.gz FPVDQLCXQSULOR-DEOSSOPVSA-N 1 1 389.543 4.775 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3C)C2)c(C)c1 ZINC000036344975 570627539 /nfs/dbraw/zinc/62/75/39/570627539.db2.gz LHONQVYUMOTGNE-DEOSSOPVSA-N 1 1 389.543 4.775 50 0 GJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](C)O ZINC000036345926 570628205 /nfs/dbraw/zinc/62/82/05/570628205.db2.gz URNLQSQUKVMNJZ-IBGZPJMESA-N 1 1 393.531 4.874 50 0 GJAAMO Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036345533 570628270 /nfs/dbraw/zinc/62/82/70/570628270.db2.gz PLZHOCILEVFTPX-CVDCTZTESA-N 1 1 375.516 4.547 50 0 GJAAMO COc1cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2OC)cc(OC)c1 ZINC000036347703 570630256 /nfs/dbraw/zinc/63/02/56/570630256.db2.gz BSLTVXXYRNAVLN-DEOSSOPVSA-N 1 1 392.499 4.509 50 0 GJAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2OC)cc(OC)c1 ZINC000036347703 570630257 /nfs/dbraw/zinc/63/02/57/570630257.db2.gz BSLTVXXYRNAVLN-DEOSSOPVSA-N 1 1 392.499 4.509 50 0 GJAAMO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000012306356 570639434 /nfs/dbraw/zinc/63/94/34/570639434.db2.gz MZNLASQIBYCHRD-OAQYLSRUSA-N 1 1 389.474 4.738 50 0 GJAAMO O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877377 570668429 /nfs/dbraw/zinc/66/84/29/570668429.db2.gz GRVWWWMGNVTZNH-KRWDZBQOSA-N 1 1 383.923 4.642 50 0 GJAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](C(=O)c4ccccc4OC)C3)c(C)c2c1 ZINC000012455143 570669058 /nfs/dbraw/zinc/66/90/58/570669058.db2.gz FQTANAVRQFYCGA-QGZVFWFLSA-N 1 1 392.499 4.588 50 0 GJAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000058343525 570728443 /nfs/dbraw/zinc/72/84/43/570728443.db2.gz VTJAJAIGHWSCPL-FQEVSTJZSA-N 1 1 388.515 4.611 50 0 GJAAMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000032664750 570730643 /nfs/dbraw/zinc/73/06/43/570730643.db2.gz QFNYSNSPCNAFDR-NSHDSACASA-N 1 1 392.735 4.771 50 0 GJAAMO CN(Cc1ccccc1)c1ccc(-c2noc(C[N@@H+](C)C3CCCCC3)n2)cn1 ZINC000065216358 570734525 /nfs/dbraw/zinc/73/45/25/570734525.db2.gz PSSAKERRYZIUBV-UHFFFAOYSA-N 1 1 391.519 4.533 50 0 GJAAMO CC(C)[N@@H+](C)C1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000004669096 570813498 /nfs/dbraw/zinc/81/34/98/570813498.db2.gz GMXDEWXOSYVSBN-UHFFFAOYSA-N 1 1 383.561 4.980 50 0 GJAAMO Cc1ccc(NC(=S)NCc2ccccc2C[N@H+](C)C(C)C)cc1Cl ZINC000036847589 570818401 /nfs/dbraw/zinc/81/84/01/570818401.db2.gz KZQADGWRMFQYLE-UHFFFAOYSA-N 1 1 375.969 4.975 50 0 GJAAMO CCCOc1c(Cl)cc(CN[C@@H](C[NH+](C)C)c2ccccc2)cc1OC ZINC000096971442 570885286 /nfs/dbraw/zinc/88/52/86/570885286.db2.gz IGOKVFMKQPTQOL-IBGZPJMESA-N 1 1 376.928 4.530 50 0 GJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CCOc4ccccc43)c2c1C ZINC000012601474 570886819 /nfs/dbraw/zinc/88/68/19/570886819.db2.gz WTHAVTRZAMOJOU-QGZVFWFLSA-N 1 1 394.544 4.840 50 0 GJAAMO Cc1ccccc1-c1nc(C[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)no1 ZINC000097164463 570901227 /nfs/dbraw/zinc/90/12/27/570901227.db2.gz VYDIIWWQWPHIJT-OAHLLOKOSA-N 1 1 387.430 4.757 50 0 GJAAMO Cc1cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000089600661 570907413 /nfs/dbraw/zinc/90/74/13/570907413.db2.gz NLUHEAHCFMLPLR-NRFANRHFSA-N 1 1 381.907 4.661 50 0 GJAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000032912072 570914993 /nfs/dbraw/zinc/91/49/93/570914993.db2.gz LDMOHAGCNFOEHS-INIZCTEOSA-N 1 1 384.932 4.949 50 0 GJAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000032912072 570914996 /nfs/dbraw/zinc/91/49/96/570914996.db2.gz LDMOHAGCNFOEHS-INIZCTEOSA-N 1 1 384.932 4.949 50 0 GJAAMO Cc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000033318334 570973470 /nfs/dbraw/zinc/97/34/70/570973470.db2.gz DXVYQARKEHIZPD-UHFFFAOYSA-N 1 1 387.487 4.690 50 0 GJAAMO Cc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)[nH+]c(C)n2)cc1 ZINC000033318334 570973474 /nfs/dbraw/zinc/97/34/74/570973474.db2.gz DXVYQARKEHIZPD-UHFFFAOYSA-N 1 1 387.487 4.690 50 0 GJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000044979129 570985463 /nfs/dbraw/zinc/98/54/63/570985463.db2.gz XCSIMNWWEXAJGB-INIZCTEOSA-N 1 1 389.858 4.510 50 0 GJAAMO COC[C@@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000001447657 212246527 /nfs/dbraw/zinc/24/65/27/212246527.db2.gz XZWBVVYCCYLQEE-MRXNPFEDSA-N 1 1 388.471 4.543 50 0 GJAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@H]2CCCO2)cc1 ZINC000001447665 206291215 /nfs/dbraw/zinc/29/12/15/206291215.db2.gz UCZGDKZOAXORRK-LJQANCHMSA-N 1 1 388.446 4.818 50 0 GJAAMO C[C@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C[C@H](C)O1 ZINC000001447534 206381512 /nfs/dbraw/zinc/38/15/12/206381512.db2.gz ROEFXBGBQFYOFH-ROUUACIJSA-N 1 1 384.483 4.701 50 0 GJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014966023 207035455 /nfs/dbraw/zinc/03/54/55/207035455.db2.gz NLNVMYDUISPVOU-MRXNPFEDSA-N 1 1 386.586 4.839 50 0 GJAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014966023 207035460 /nfs/dbraw/zinc/03/54/60/207035460.db2.gz NLNVMYDUISPVOU-MRXNPFEDSA-N 1 1 386.586 4.839 50 0 GJAAMO Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(C)c1 ZINC000015069937 207044710 /nfs/dbraw/zinc/04/47/10/207044710.db2.gz GEMWYBWOQVGDIH-NRFANRHFSA-N 1 1 397.538 4.861 50 0 GJAAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000020918059 207219346 /nfs/dbraw/zinc/21/93/46/207219346.db2.gz HUZZHEAKJCDQIX-IBGZPJMESA-N 1 1 396.535 4.626 50 0 GJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)[nH+]1 ZINC000021795403 207238512 /nfs/dbraw/zinc/23/85/12/207238512.db2.gz CHFKWCCSWVZGFA-UHFFFAOYSA-N 1 1 390.491 4.855 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)cc(N(C)C)[nH+]1 ZINC000021795403 207238516 /nfs/dbraw/zinc/23/85/16/207238516.db2.gz CHFKWCCSWVZGFA-UHFFFAOYSA-N 1 1 390.491 4.855 50 0 GJAAMO Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000022626727 207258574 /nfs/dbraw/zinc/25/85/74/207258574.db2.gz RNBDKKBQSZUTKB-QGZVFWFLSA-N 1 1 397.563 4.942 50 0 GJAAMO CC(C)c1ccc(C[NH+]2CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000022802662 207261276 /nfs/dbraw/zinc/26/12/76/207261276.db2.gz MCMBNVLGFJEKHO-KRWDZBQOSA-N 1 1 396.560 4.800 50 0 GJAAMO COc1cccc(C[N@H+](C)Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)c1 ZINC000012208315 207286293 /nfs/dbraw/zinc/28/62/93/207286293.db2.gz BCTWPWMZGUHHIE-UHFFFAOYSA-N 1 1 380.488 4.916 50 0 GJAAMO COc1cccc(C[N@@H+](C)Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)c1 ZINC000012208315 207286296 /nfs/dbraw/zinc/28/62/96/207286296.db2.gz BCTWPWMZGUHHIE-UHFFFAOYSA-N 1 1 380.488 4.916 50 0 GJAAMO C[C@@]12CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C[N@@H+](Cc3ccccc3)C1)C2 ZINC000032089474 207390960 /nfs/dbraw/zinc/39/09/60/207390960.db2.gz XFBIEFQOOVNSQE-PLQXJYEYSA-N 1 1 387.527 4.542 50 0 GJAAMO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)c1OC ZINC000036347953 207522969 /nfs/dbraw/zinc/52/29/69/207522969.db2.gz WIIMBPWVIPLWDT-JOCHJYFZSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)c1OC ZINC000036347953 207522973 /nfs/dbraw/zinc/52/29/73/207522973.db2.gz WIIMBPWVIPLWDT-JOCHJYFZSA-N 1 1 380.463 4.640 50 0 GJAAMO Cc1cccc(-n2cc(C[N@@H+](C)CCC(C)(C)O)c(-c3cccc(F)c3)n2)c1 ZINC000072432377 208024265 /nfs/dbraw/zinc/02/42/65/208024265.db2.gz ZMMSLBWSJXGSFN-UHFFFAOYSA-N 1 1 381.495 4.580 50 0 GJAAMO Cc1ccc(-n2cc(C[N@@H+](C)C[C@@H]3CCCO3)c(-c3ccc(F)cc3)n2)cc1 ZINC000072438202 208027301 /nfs/dbraw/zinc/02/73/01/208027301.db2.gz YNLARSOBLPOWMV-QFIPXVFZSA-N 1 1 379.479 4.598 50 0 GJAAMO CCc1cc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nc(-c2ccccn2)n1 ZINC000079046629 208070990 /nfs/dbraw/zinc/07/09/90/208070990.db2.gz QBOSFYMYJHQOPO-INIZCTEOSA-N 1 1 384.487 4.768 50 0 GJAAMO CCCCOc1ccccc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095382016 208172447 /nfs/dbraw/zinc/17/24/47/208172447.db2.gz AVIUWNATFFWANG-FGZHOGPDSA-N 1 1 392.543 4.602 50 0 GJAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccsc2)C3)cc1 ZINC000299793939 209091717 /nfs/dbraw/zinc/09/17/17/209091717.db2.gz IUBLQGYRAYUVOF-UHFFFAOYSA-N 1 1 381.497 4.827 50 0 GJAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccsc2)C3)cc1 ZINC000299793939 209091721 /nfs/dbraw/zinc/09/17/21/209091721.db2.gz IUBLQGYRAYUVOF-UHFFFAOYSA-N 1 1 381.497 4.827 50 0 GJAAMO CN(C)CCC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000006662239 220948320 /nfs/dbraw/zinc/94/83/20/220948320.db2.gz RBXMWPWASVANNY-ICSRJNTNSA-N 1 1 381.004 4.635 50 0 GJAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640768 221004925 /nfs/dbraw/zinc/00/49/25/221004925.db2.gz AIJUMQJSFVCKAF-KRWDZBQOSA-N 1 1 388.467 4.541 50 0 GJAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640768 221004928 /nfs/dbraw/zinc/00/49/28/221004928.db2.gz AIJUMQJSFVCKAF-KRWDZBQOSA-N 1 1 388.467 4.541 50 0 GJAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(C)cc23)c1 ZINC000007718538 221007126 /nfs/dbraw/zinc/00/71/26/221007126.db2.gz ASCKQDCDZYVHKV-NRFANRHFSA-N 1 1 393.483 4.764 50 0 GJAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1F ZINC000008308583 221036336 /nfs/dbraw/zinc/03/63/36/221036336.db2.gz IHDDGKSNSBCYHX-QGZVFWFLSA-N 1 1 392.474 4.960 50 0 GJAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1F ZINC000008308583 221036338 /nfs/dbraw/zinc/03/63/38/221036338.db2.gz IHDDGKSNSBCYHX-QGZVFWFLSA-N 1 1 392.474 4.960 50 0 GJAAMO O=c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000007900929 221015813 /nfs/dbraw/zinc/01/58/13/221015813.db2.gz RKHJKQOCOWWYKD-GOEBONIOSA-N 1 1 397.519 4.803 50 0 GJAAMO O=c1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000007900929 221015815 /nfs/dbraw/zinc/01/58/15/221015815.db2.gz RKHJKQOCOWWYKD-GOEBONIOSA-N 1 1 397.519 4.803 50 0 GJAAMO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H]3c3ccccc3)c2)cs1 ZINC000010340355 221100935 /nfs/dbraw/zinc/10/09/35/221100935.db2.gz VMDBAIPTERSROM-NRFANRHFSA-N 1 1 377.513 4.894 50 0 GJAAMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)cc1 ZINC000011773745 221124054 /nfs/dbraw/zinc/12/40/54/221124054.db2.gz BMTBVPMPNYZZID-LJQANCHMSA-N 1 1 384.520 4.876 50 0 GJAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)cc1 ZINC000011773745 221124057 /nfs/dbraw/zinc/12/40/57/221124057.db2.gz BMTBVPMPNYZZID-LJQANCHMSA-N 1 1 384.520 4.876 50 0 GJAAMO Cc1ccc(-n2cc(C[N@H+](C)C3CCN(C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011818201 221127132 /nfs/dbraw/zinc/12/71/32/221127132.db2.gz LPHBGJQGNMMKGW-UHFFFAOYSA-N 1 1 392.522 4.513 50 0 GJAAMO Cc1ccc(-n2cc(CN(C)C3CC[NH+](C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011818201 221127133 /nfs/dbraw/zinc/12/71/33/221127133.db2.gz LPHBGJQGNMMKGW-UHFFFAOYSA-N 1 1 392.522 4.513 50 0 GJAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000012315150 221179435 /nfs/dbraw/zinc/17/94/35/221179435.db2.gz CSUYDZJVQLGZMY-UHFFFAOYSA-N 1 1 394.425 4.746 50 0 GJAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000012315150 221179439 /nfs/dbraw/zinc/17/94/39/221179439.db2.gz CSUYDZJVQLGZMY-UHFFFAOYSA-N 1 1 394.425 4.746 50 0 GJAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc2ccccc21 ZINC000012507306 221200029 /nfs/dbraw/zinc/20/00/29/221200029.db2.gz WGBUMOSOXHQVHO-IBGZPJMESA-N 1 1 376.475 4.621 50 0 GJAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 ZINC000012579594 221209775 /nfs/dbraw/zinc/20/97/75/221209775.db2.gz ICTXIEVYZYLXAY-JOCHJYFZSA-N 1 1 379.500 4.771 50 0 GJAAMO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 ZINC000012579594 221209778 /nfs/dbraw/zinc/20/97/78/221209778.db2.gz ICTXIEVYZYLXAY-JOCHJYFZSA-N 1 1 379.500 4.771 50 0 GJAAMO COc1ccc(OCC[N@@H+](C)Cc2c(-c3ccccc3)nc3sccn23)cc1 ZINC000012628152 221215990 /nfs/dbraw/zinc/21/59/90/221215990.db2.gz RLYGIZFJWAQJJW-UHFFFAOYSA-N 1 1 393.512 4.582 50 0 GJAAMO CC(=O)c1cccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)c1 ZINC000012718626 221220840 /nfs/dbraw/zinc/22/08/40/221220840.db2.gz XKUPIRNRBUHQIQ-XMMPIXPASA-N 1 1 380.507 4.516 50 0 GJAAMO CC(=O)c1cccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000012718626 221220843 /nfs/dbraw/zinc/22/08/43/221220843.db2.gz XKUPIRNRBUHQIQ-XMMPIXPASA-N 1 1 380.507 4.516 50 0 GJAAMO CC(=O)c1cccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000012718626 221220847 /nfs/dbraw/zinc/22/08/47/221220847.db2.gz XKUPIRNRBUHQIQ-XMMPIXPASA-N 1 1 380.507 4.516 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccoc3)C2)cc1 ZINC000012716904 221220914 /nfs/dbraw/zinc/22/09/14/221220914.db2.gz SBGZDTFANVPYAH-FQEVSTJZSA-N 1 1 390.483 4.806 50 0 GJAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccco2)C1)c1ccc(F)cc1 ZINC000012745414 221223891 /nfs/dbraw/zinc/22/38/91/221223891.db2.gz SIXUVQIMABKYPZ-GOSISDBHSA-N 1 1 392.474 4.728 50 0 GJAAMO O=C(CC[C@H]1CCC[N@H+](CCCC(F)(F)F)C1)NCc1ccccc1Cl ZINC000014957817 221320187 /nfs/dbraw/zinc/32/01/87/221320187.db2.gz IOVXAIAEROZHIO-OAHLLOKOSA-N 1 1 390.877 4.791 50 0 GJAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000015062191 221327663 /nfs/dbraw/zinc/32/76/63/221327663.db2.gz LAMXZWNFHKLHNE-QHCPKHFHSA-N 1 1 387.483 4.867 50 0 GJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800911 136157944 /nfs/dbraw/zinc/15/79/44/136157944.db2.gz LMFQWSUJRYEKNA-UHFFFAOYSA-N 1 1 387.487 4.771 50 0 GJAAMO C[N@H+]1CCN(c2ncnc3sc(-c4ccccc4)cc32)[C@@H](c2ccccc2)C1 ZINC000013149349 136200968 /nfs/dbraw/zinc/20/09/68/136200968.db2.gz ULJRGQYLDMOZIX-HXUWFJFHSA-N 1 1 386.524 4.851 50 0 GJAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103058 221843017 /nfs/dbraw/zinc/84/30/17/221843017.db2.gz RQGTYLYOFILBTG-OAQYLSRUSA-N 1 1 399.893 4.921 50 0 GJAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103058 221843021 /nfs/dbraw/zinc/84/30/21/221843021.db2.gz RQGTYLYOFILBTG-OAQYLSRUSA-N 1 1 399.893 4.921 50 0 GJAAMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccs3)C2)c(-c2cccc(Cl)c2)n1 ZINC000055576274 222023211 /nfs/dbraw/zinc/02/32/11/222023211.db2.gz HEWQDFAAGKMZNX-MRXNPFEDSA-N 1 1 399.947 4.897 50 0 GJAAMO Cc1noc(C(C)C)c1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310906 221986076 /nfs/dbraw/zinc/98/60/76/221986076.db2.gz ANWSZHACTZTFSZ-CALCHBBNSA-N 1 1 383.536 4.514 50 0 GJAAMO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000053175087 222007544 /nfs/dbraw/zinc/00/75/44/222007544.db2.gz CWUXCWWBIHLQNU-LLVKDONJSA-N 1 1 386.801 4.657 50 0 GJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2cccnc2)c1 ZINC000055211338 222018420 /nfs/dbraw/zinc/01/84/20/222018420.db2.gz DXAGOWNSRCYFEW-UHFFFAOYSA-N 1 1 384.483 4.575 50 0 GJAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2cccnc2)c1 ZINC000055211338 222018423 /nfs/dbraw/zinc/01/84/23/222018423.db2.gz DXAGOWNSRCYFEW-UHFFFAOYSA-N 1 1 384.483 4.575 50 0 GJAAMO Cc1[nH+]ccn1CCCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000058392383 222050685 /nfs/dbraw/zinc/05/06/85/222050685.db2.gz ADMJRIGTJKRSCR-UHFFFAOYSA-N 1 1 380.517 4.613 50 0 GJAAMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058356862 222051200 /nfs/dbraw/zinc/05/12/00/222051200.db2.gz CFYURJGRNNQFBF-AZUAARDMSA-N 1 1 391.273 4.771 50 0 GJAAMO CCOC(=O)CC1=CC(SCc2cccc(OC)c2)=[NH+]c2ccccc2N1 ZINC000064661310 222077662 /nfs/dbraw/zinc/07/76/62/222077662.db2.gz MFAQJKCVOGWLHM-UHFFFAOYSA-N 1 1 382.485 4.921 50 0 GJAAMO CCNc1ncc(C[N@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071708019 222187025 /nfs/dbraw/zinc/18/70/25/222187025.db2.gz CDIGWRMVTHVELC-QGZVFWFLSA-N 1 1 392.469 4.772 50 0 GJAAMO FC(F)(F)c1cccc(CC[C@H]2CCC[N@H+](Cc3nnc(C4CC4)o3)C2)c1 ZINC000072129766 222209374 /nfs/dbraw/zinc/20/93/74/222209374.db2.gz ZWCTWUXEHNGUKV-OAHLLOKOSA-N 1 1 379.426 4.811 50 0 GJAAMO FC(F)(F)c1cccc(CC[C@H]2CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)c1 ZINC000072129766 222209377 /nfs/dbraw/zinc/20/93/77/222209377.db2.gz ZWCTWUXEHNGUKV-OAHLLOKOSA-N 1 1 379.426 4.811 50 0 GJAAMO Cc1ccc(-c2nc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C)sc2C)s1 ZINC000095976770 222367542 /nfs/dbraw/zinc/36/75/42/222367542.db2.gz XRWSNQQHCVAWPN-UHFFFAOYSA-N 1 1 395.513 4.630 50 0 GJAAMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1)CC1CC1 ZINC000095458195 528430513 /nfs/dbraw/zinc/43/05/13/528430513.db2.gz KFSYQAADLJEFAN-UHFFFAOYSA-N 1 1 381.923 4.845 50 0 GJAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000019731603 570211534 /nfs/dbraw/zinc/21/15/34/570211534.db2.gz ONIBPRJWWZXPDC-INIZCTEOSA-N 1 1 392.524 4.757 50 0 GJAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000019731603 570211537 /nfs/dbraw/zinc/21/15/37/570211537.db2.gz ONIBPRJWWZXPDC-INIZCTEOSA-N 1 1 392.524 4.757 50 0 GJAAMO O=C(Nc1ccc(F)c(F)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020026991 570235567 /nfs/dbraw/zinc/23/55/67/570235567.db2.gz KDAABDYJDGTGCT-UHFFFAOYSA-N 1 1 378.422 4.775 50 0 GJAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000020514430 570265104 /nfs/dbraw/zinc/26/51/04/570265104.db2.gz JLJJWPVFKRCCSM-NRFANRHFSA-N 1 1 395.513 4.625 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c3ccccc3)ccc2c1 ZINC000035268848 570278552 /nfs/dbraw/zinc/27/85/52/570278552.db2.gz CIDOGYBHEOKVBE-QZTJIDSGSA-N 1 1 376.500 4.546 50 0 GJAAMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000215404683 570288334 /nfs/dbraw/zinc/28/83/34/570288334.db2.gz UJJUOXNPBJCHNF-JOCHJYFZSA-N 1 1 390.930 4.830 50 0 GJAAMO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000215404683 570288336 /nfs/dbraw/zinc/28/83/36/570288336.db2.gz UJJUOXNPBJCHNF-JOCHJYFZSA-N 1 1 390.930 4.830 50 0 GJAAMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000215404683 570288340 /nfs/dbraw/zinc/28/83/40/570288340.db2.gz UJJUOXNPBJCHNF-JOCHJYFZSA-N 1 1 390.930 4.830 50 0 GJAAMO O[C@@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000006927226 570298664 /nfs/dbraw/zinc/29/86/64/570298664.db2.gz RDZKUDPALZMKLW-GXGKYYTNSA-N 1 1 391.511 4.797 50 0 biogenic GJAAMO Cc1cc(Oc2nc(N3CCCCC3)nc3c2C[N@@H+](CC(C)C)CC3)ccc1F ZINC000034755538 570332800 /nfs/dbraw/zinc/33/28/00/570332800.db2.gz LHTXFGNZBBUVLH-UHFFFAOYSA-N 1 1 398.526 4.721 50 0 GJAAMO COc1ccc(Br)cc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000023280259 570353900 /nfs/dbraw/zinc/35/39/00/570353900.db2.gz KOLZYGIJASISQM-UHFFFAOYSA-N 1 1 376.269 4.886 50 0 GJAAMO COc1ccc(Br)cc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000023280259 570353901 /nfs/dbraw/zinc/35/39/01/570353901.db2.gz KOLZYGIJASISQM-UHFFFAOYSA-N 1 1 376.269 4.886 50 0 GJAAMO Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000090443175 570375945 /nfs/dbraw/zinc/37/59/45/570375945.db2.gz RCQUCMYEGJIJQZ-AREMUKBSSA-N 1 1 396.538 4.779 50 0 GJAAMO c1cc(-c2noc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)n2)cs1 ZINC000024601477 570387131 /nfs/dbraw/zinc/38/71/31/570387131.db2.gz XNRAXKFSESFHDJ-ZDUSSCGKSA-N 1 1 382.514 4.787 50 0 GJAAMO c1cc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)n2)cs1 ZINC000024601477 570387132 /nfs/dbraw/zinc/38/71/32/570387132.db2.gz XNRAXKFSESFHDJ-ZDUSSCGKSA-N 1 1 382.514 4.787 50 0 GJAAMO CC(C)[N@@H+](CCCNC(=O)c1csc2c1CC[C@@H](C)C2)Cc1ccccc1 ZINC000005070284 570411406 /nfs/dbraw/zinc/41/14/06/570411406.db2.gz IJASFTYGBCQPDB-GOSISDBHSA-N 1 1 384.589 4.903 50 0 GJAAMO CSC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390832861 570426867 /nfs/dbraw/zinc/42/68/67/570426867.db2.gz GZXJBBXFVZOULG-JTHBVZDNSA-N 1 1 396.600 4.552 50 0 GJAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000029482266 570474724 /nfs/dbraw/zinc/47/47/24/570474724.db2.gz RAJPOCZSUSJTDR-KRWDZBQOSA-N 1 1 382.813 4.917 50 0 GJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cn2c(-c3cccs3)cc3ccccc32)C1 ZINC000064657431 570511832 /nfs/dbraw/zinc/51/18/32/570511832.db2.gz IFWQPBVEKBNNPO-GOSISDBHSA-N 1 1 395.572 4.608 50 0 GJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)c1 ZINC000005217447 570513061 /nfs/dbraw/zinc/51/30/61/570513061.db2.gz NSRJWEIWAMQCKX-ZTCOLXNVSA-N 1 1 399.506 4.711 50 0 GJAAMO Cc1noc(C)c1C[NH+](C)CCCCCCCC[N@H+](C)Cc1c(C)noc1C ZINC000072309102 570530291 /nfs/dbraw/zinc/53/02/91/570530291.db2.gz HIQDXMIGEWUOGY-UHFFFAOYSA-N 1 1 390.572 4.801 50 0 GJAAMO CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)N2c3ccccc3NC2=[NH+]1 ZINC000008741305 570538862 /nfs/dbraw/zinc/53/88/62/570538862.db2.gz SDHJBHNFMUHUDP-IBGZPJMESA-N 1 1 381.863 4.908 50 0 GJAAMO C[C@H]1CCCc2[nH+]cc([C@H](CC(=O)NCc3ccccc3)c3cccc(F)c3)n21 ZINC000034919985 570547659 /nfs/dbraw/zinc/54/76/59/570547659.db2.gz WJYWHNYVKSTYJY-LAUBAEHRSA-N 1 1 391.490 4.758 50 0 GJAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000022907648 570563966 /nfs/dbraw/zinc/56/39/66/570563966.db2.gz XVSCGQXVIUFOAD-HXUWFJFHSA-N 1 1 377.513 4.669 50 0 GJAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000022907648 570563968 /nfs/dbraw/zinc/56/39/68/570563968.db2.gz XVSCGQXVIUFOAD-HXUWFJFHSA-N 1 1 377.513 4.669 50 0 GJAAMO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907860 570564282 /nfs/dbraw/zinc/56/42/82/570564282.db2.gz ROBCZIQVAFFIBT-NRFANRHFSA-N 1 1 376.525 4.586 50 0 GJAAMO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907860 570564286 /nfs/dbraw/zinc/56/42/86/570564286.db2.gz ROBCZIQVAFFIBT-NRFANRHFSA-N 1 1 376.525 4.586 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000169678011 570600276 /nfs/dbraw/zinc/60/02/76/570600276.db2.gz GYKGPCAYNWCNHA-OPAMFIHVSA-N 1 1 397.469 4.517 50 0 GJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036306816 570604332 /nfs/dbraw/zinc/60/43/32/570604332.db2.gz HWSZHUXVSGJKJN-QGZVFWFLSA-N 1 1 397.494 4.611 50 0 GJAAMO COCc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)ccc1OC ZINC000012073478 570604800 /nfs/dbraw/zinc/60/48/00/570604800.db2.gz QXAUEQADFUCZDN-IBGZPJMESA-N 1 1 399.556 4.658 50 0 GJAAMO COC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000012093360 570608137 /nfs/dbraw/zinc/60/81/37/570608137.db2.gz XXHJQUJABQDDKI-IBGZPJMESA-N 1 1 393.506 4.845 50 0 GJAAMO COc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000042489180 570620547 /nfs/dbraw/zinc/62/05/47/570620547.db2.gz FHDUBMBAUPBRNH-MRXNPFEDSA-N 1 1 383.442 4.743 50 0 GJAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1O ZINC000042915203 570624035 /nfs/dbraw/zinc/62/40/35/570624035.db2.gz JAXFDTUPZMGGSH-QGZVFWFLSA-N 1 1 397.906 4.824 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)c(OC)c1 ZINC000036347257 570629146 /nfs/dbraw/zinc/62/91/46/570629146.db2.gz SSDSJACPJRJIPW-DEOSSOPVSA-N 1 1 376.500 4.809 50 0 GJAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)c1OC ZINC000036347258 570629268 /nfs/dbraw/zinc/62/92/68/570629268.db2.gz WFFJJSSUNIXWMM-HSZRJFAPSA-N 1 1 376.500 4.809 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)c(OC)c1 ZINC000036348390 570629759 /nfs/dbraw/zinc/62/97/59/570629759.db2.gz ZAUDIPLFZKXWOA-DEOSSOPVSA-N 1 1 376.500 4.809 50 0 GJAAMO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)c1OC ZINC000036347954 570630192 /nfs/dbraw/zinc/63/01/92/570630192.db2.gz WIIMBPWVIPLWDT-QFIPXVFZSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)c1OC ZINC000036347954 570630194 /nfs/dbraw/zinc/63/01/94/570630194.db2.gz WIIMBPWVIPLWDT-QFIPXVFZSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2OC)cc(OC)c1 ZINC000036347702 570630270 /nfs/dbraw/zinc/63/02/70/570630270.db2.gz BSLTVXXYRNAVLN-XMMPIXPASA-N 1 1 392.499 4.509 50 0 GJAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2OC)cc(OC)c1 ZINC000036347702 570630271 /nfs/dbraw/zinc/63/02/71/570630271.db2.gz BSLTVXXYRNAVLN-XMMPIXPASA-N 1 1 392.499 4.509 50 0 GJAAMO COc1ccc(OC)c(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)c1 ZINC000036348246 570631086 /nfs/dbraw/zinc/63/10/86/570631086.db2.gz WPNDDFAIUOSYJT-HSZRJFAPSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1ccc(OC)c(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)c1 ZINC000036348246 570631090 /nfs/dbraw/zinc/63/10/90/570631090.db2.gz WPNDDFAIUOSYJT-HSZRJFAPSA-N 1 1 380.463 4.640 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)c(C)o2)cc1 ZINC000012303794 570637652 /nfs/dbraw/zinc/63/76/52/570637652.db2.gz LGKLABDCBKPHBE-OAQYLSRUSA-N 1 1 394.446 4.913 50 0 GJAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)c(C)o2)cc1 ZINC000012303794 570637655 /nfs/dbraw/zinc/63/76/55/570637655.db2.gz LGKLABDCBKPHBE-OAQYLSRUSA-N 1 1 394.446 4.913 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccc5ncccc5c4)C3)C2)c1 ZINC000012318469 570642432 /nfs/dbraw/zinc/64/24/32/570642432.db2.gz DYXJUIITGULTHR-AREMUKBSSA-N 1 1 399.538 4.672 50 0 GJAAMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c1OC ZINC000012431329 570659491 /nfs/dbraw/zinc/65/94/91/570659491.db2.gz UXUFCVVSAQSBQV-QGZVFWFLSA-N 1 1 385.529 4.521 50 0 GJAAMO CC1(C)[C@H]2CC[C@]1(C)C[N@@H+](C[C@@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000012436742 570662512 /nfs/dbraw/zinc/66/25/12/570662512.db2.gz DNUFRGCCNUMJNP-OSWQYVSFSA-N 1 1 376.544 4.914 50 0 GJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012581152 570683796 /nfs/dbraw/zinc/68/37/96/570683796.db2.gz ILSIJFJYPWRPBW-HXUWFJFHSA-N 1 1 389.543 4.503 50 0 GJAAMO C[C@@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000058160631 570712927 /nfs/dbraw/zinc/71/29/27/570712927.db2.gz IRTSOURLXZOXEE-LJQANCHMSA-N 1 1 387.527 4.552 50 0 GJAAMO c1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)onc1-c1ccncc1 ZINC000252479782 570727824 /nfs/dbraw/zinc/72/78/24/570727824.db2.gz BMVAVMFIFSILOH-MRXNPFEDSA-N 1 1 376.485 4.726 50 0 GJAAMO COc1ccc(-c2nnc([C@H](C)Nc3ccc([NH+]4CCCCC4)cc3)o2)cc1 ZINC000012547439 570850373 /nfs/dbraw/zinc/85/03/73/570850373.db2.gz HRPVVXRCGXYMQC-INIZCTEOSA-N 1 1 378.476 4.909 50 0 GJAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1Cl ZINC000004554084 570880680 /nfs/dbraw/zinc/88/06/80/570880680.db2.gz IXRZQNHAEAWOAT-KRWDZBQOSA-N 1 1 391.924 4.606 50 0 GJAAMO Cc1noc2ncc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc12 ZINC000032905874 570906369 /nfs/dbraw/zinc/90/63/69/570906369.db2.gz ORXCETWYLYLFCA-UHFFFAOYSA-N 1 1 378.476 4.548 50 0 GJAAMO CC[N@@H+](Cn1nc(C)n(Cc2ccccc2)c1=S)C1C2CC3CC(C2)CC1C3 ZINC000032935470 570947611 /nfs/dbraw/zinc/94/76/11/570947611.db2.gz OPITVERBVHWMRK-UHFFFAOYSA-N 1 1 396.604 4.875 50 0 GJAAMO CCc1ccc([C@@H]2C[C@H](C(=O)N[C@H](C)CC)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000106605975 570966061 /nfs/dbraw/zinc/96/60/61/570966061.db2.gz CPWUWGFTQYFHQE-FOVJLYNBSA-N 1 1 378.560 4.769 50 0 GJAAMO Cc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1 ZINC000033318335 570973486 /nfs/dbraw/zinc/97/34/86/570973486.db2.gz HZBBYVRRUQENBP-UHFFFAOYSA-N 1 1 387.487 4.690 50 0 GJAAMO Cc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1 ZINC000033318335 570973492 /nfs/dbraw/zinc/97/34/92/570973492.db2.gz HZBBYVRRUQENBP-UHFFFAOYSA-N 1 1 387.487 4.690 50 0 GJAAMO CSc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000019299843 570973754 /nfs/dbraw/zinc/97/37/54/570973754.db2.gz VPBTVQHPOQBHLF-JOCHJYFZSA-N 1 1 395.616 4.504 50 0 GJAAMO CSc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000019299843 570973755 /nfs/dbraw/zinc/97/37/55/570973755.db2.gz VPBTVQHPOQBHLF-JOCHJYFZSA-N 1 1 395.616 4.504 50 0 GJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+](C)CCn1ccnc1 ZINC000019300456 570974147 /nfs/dbraw/zinc/97/41/47/570974147.db2.gz UXVJIYSHIUVJCX-UHFFFAOYSA-N 1 1 388.471 4.771 50 0 GJAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+](C)CCn1ccnc1 ZINC000019300456 570974149 /nfs/dbraw/zinc/97/41/49/570974149.db2.gz UXVJIYSHIUVJCX-UHFFFAOYSA-N 1 1 388.471 4.771 50 0 GJAAMO CCCCO[C@@H](C)C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000252511799 570981996 /nfs/dbraw/zinc/98/19/96/570981996.db2.gz KQBRXJUZBGILMS-SIKLNZKXSA-N 1 1 390.568 4.610 50 0 GJAAMO S=C(Nc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019594255 571020338 /nfs/dbraw/zinc/02/03/38/571020338.db2.gz IKCLESDMCSMYBE-UHFFFAOYSA-N 1 1 387.552 4.791 50 0 GJAAMO CO[C@]12CC[N@@H+](Cc3[nH]c4c(cccc4C)c3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426711534 231253739 /nfs/dbraw/zinc/25/37/39/231253739.db2.gz YWOXARGYICHKEC-WNOPAQSVSA-N 1 1 382.548 4.723 50 0 GJAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCOCC2)c1 ZINC000001447626 212246796 /nfs/dbraw/zinc/24/67/96/212246796.db2.gz DVJGGMORWMEKGG-UHFFFAOYSA-N 1 1 390.874 4.578 50 0 GJAAMO [NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000001275072 212234176 /nfs/dbraw/zinc/23/41/76/212234176.db2.gz XOEQHQLIMFIEKC-HNNXBMFYSA-N 1 1 380.300 4.911 50 0 GJAAMO OC1(c2ccc(Br)cc2)CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000000757531 212179016 /nfs/dbraw/zinc/17/90/16/212179016.db2.gz LBFWEKOMHROMJG-UHFFFAOYSA-N 1 1 398.703 4.725 50 0 GJAAMO C[N@@H+](Cc1cc(Br)cc(Br)c1N)C1CCCCC1 ZINC000000608220 212164132 /nfs/dbraw/zinc/16/41/32/212164132.db2.gz OJGDCBLYJGHCIH-UHFFFAOYSA-N 1 1 376.136 4.558 50 0 world GJAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2n1 ZINC000253400688 206282540 /nfs/dbraw/zinc/28/25/40/206282540.db2.gz FCPMHKWASFZOJH-YADARESESA-N 1 1 393.575 4.770 50 0 biogenic GJAAMO CC1(C)C[C@]2(CCC[N@@H+](CC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000001261672 206370013 /nfs/dbraw/zinc/37/00/13/206370013.db2.gz ULQRQRGTCDZWGL-DEOSSOPVSA-N 1 1 379.544 4.594 50 0 GJAAMO COc1ccc(-c2nc3ccccc3c(NCCC[N@H+]3CCC[C@@H](C)C3)n2)cc1 ZINC000009527061 206790902 /nfs/dbraw/zinc/79/09/02/206790902.db2.gz IUPFDDAGYMWFDT-GOSISDBHSA-N 1 1 390.531 4.839 50 0 GJAAMO COc1ccc(CCC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1 ZINC000011419926 206823898 /nfs/dbraw/zinc/82/38/98/206823898.db2.gz NNSCUNJMTAAAJM-QGZVFWFLSA-N 1 1 384.495 4.506 50 0 GJAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000014019776 207008406 /nfs/dbraw/zinc/00/84/06/207008406.db2.gz TXSQYTSYKIGYDG-OAQYLSRUSA-N 1 1 396.535 4.563 50 0 GJAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000014019776 207008411 /nfs/dbraw/zinc/00/84/11/207008411.db2.gz TXSQYTSYKIGYDG-OAQYLSRUSA-N 1 1 396.535 4.563 50 0 GJAAMO CC(C)C(=O)NCCOc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000014955549 207033211 /nfs/dbraw/zinc/03/32/11/207033211.db2.gz GWYMAZSBVFOZTH-UHFFFAOYSA-N 1 1 390.527 4.623 50 0 GJAAMO C[C@@H](CNC(=O)c1cccc(F)c1)Oc1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000014991191 207038922 /nfs/dbraw/zinc/03/89/22/207038922.db2.gz BKZNVURKHQPFPD-SFHVURJKSA-N 1 1 398.522 4.788 50 0 GJAAMO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)c1OC ZINC000015073276 207044878 /nfs/dbraw/zinc/04/48/78/207044878.db2.gz XCMTWAWLSYNABG-AWEZNQCLSA-N 1 1 385.895 4.702 50 0 GJAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1 ZINC000015070611 207044816 /nfs/dbraw/zinc/04/48/16/207044816.db2.gz MNCSTLIYSKFGAB-MRXNPFEDSA-N 1 1 383.442 4.743 50 0 GJAAMO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000019940045 207172060 /nfs/dbraw/zinc/17/20/60/207172060.db2.gz QYYSOLXHBKVSIZ-MRXNPFEDSA-N 1 1 393.491 4.600 50 0 GJAAMO Cc1ccc(/C=C/C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000020149626 207180308 /nfs/dbraw/zinc/18/03/08/207180308.db2.gz WXSAXWOVVXRQKS-CCEZHUSRSA-N 1 1 386.495 4.535 50 0 GJAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)CCn1cc[nH+]c1C ZINC000012304668 207287975 /nfs/dbraw/zinc/28/79/75/207287975.db2.gz UFKOJYPBAZALQT-UHFFFAOYSA-N 1 1 386.499 4.954 50 0 GJAAMO CC(C)C[N@H+]1CCc2nc(N3CCC(C)CC3)nc(Oc3cccc(F)c3)c2C1 ZINC000034755735 207473137 /nfs/dbraw/zinc/47/31/37/207473137.db2.gz SZWQFAJTWRXQKL-UHFFFAOYSA-N 1 1 398.526 4.658 50 0 GJAAMO CCOc1cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)ccc1O ZINC000036347653 207522924 /nfs/dbraw/zinc/52/29/24/207522924.db2.gz ZWTNFRYUYFWFRV-HSZRJFAPSA-N 1 1 380.463 4.727 50 0 GJAAMO CCOc1cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)ccc1O ZINC000036347653 207522927 /nfs/dbraw/zinc/52/29/27/207522927.db2.gz ZWTNFRYUYFWFRV-HSZRJFAPSA-N 1 1 380.463 4.727 50 0 GJAAMO COc1cccc2ccc(N[C@H]3CCC[N@@H+](CCCc4ccccc4)C3)nc21 ZINC000072433308 208025947 /nfs/dbraw/zinc/02/59/47/208025947.db2.gz IEEFGLNGABCWIW-NRFANRHFSA-N 1 1 375.516 4.753 50 0 GJAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@](C)(CO)C2CCCCC2)c1 ZINC000079015154 208068636 /nfs/dbraw/zinc/06/86/36/208068636.db2.gz PQHOCSVEUKMQFT-HSZRJFAPSA-N 1 1 398.551 4.508 50 0 GJAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000170643787 208757204 /nfs/dbraw/zinc/75/72/04/208757204.db2.gz KWMMITFAUSVNMW-FQEVSTJZSA-N 1 1 399.538 4.706 50 0 GJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000004555595 220731570 /nfs/dbraw/zinc/73/15/70/220731570.db2.gz DYWZVLBUEKUOCL-HNNXBMFYSA-N 1 1 382.316 4.862 50 0 GJAAMO CC(=O)c1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)cs1 ZINC000299791276 209090551 /nfs/dbraw/zinc/09/05/51/209090551.db2.gz CFMLYJJONBFBCS-KSZLIROESA-N 1 1 379.485 4.694 50 0 GJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](CCCSC)C3)cc2)c1 ZINC000011880127 221135359 /nfs/dbraw/zinc/13/53/59/221135359.db2.gz UPOUQYGSUMHYSV-HXUWFJFHSA-N 1 1 398.572 4.766 50 0 GJAAMO COC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000012093357 221151039 /nfs/dbraw/zinc/15/10/39/221151039.db2.gz XXHJQUJABQDDKI-LJQANCHMSA-N 1 1 393.506 4.845 50 0 GJAAMO CCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000012299387 221176674 /nfs/dbraw/zinc/17/66/74/221176674.db2.gz QNHQLRJWOMKPEQ-GOSISDBHSA-N 1 1 384.520 4.790 50 0 GJAAMO CCc1nc(C)c(C[N@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)[nH]1 ZINC000012300764 221177449 /nfs/dbraw/zinc/17/74/49/221177449.db2.gz UUOLLMFJTAWQPY-IBGZPJMESA-N 1 1 387.527 4.627 50 0 GJAAMO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012438914 221195160 /nfs/dbraw/zinc/19/51/60/221195160.db2.gz DQFUZMYTDYOVQB-IBGZPJMESA-N 1 1 397.954 4.679 50 0 GJAAMO CCn1cc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c2ccccc21 ZINC000012439365 221195322 /nfs/dbraw/zinc/19/53/22/221195322.db2.gz BFWFUAFDOXUGHC-DEOSSOPVSA-N 1 1 380.507 4.618 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)c1 ZINC000012448463 221197235 /nfs/dbraw/zinc/19/72/35/221197235.db2.gz DUEPRNKXJLMUCC-JOCHJYFZSA-N 1 1 387.483 4.785 50 0 GJAAMO C[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012553049 221205805 /nfs/dbraw/zinc/20/58/05/221205805.db2.gz VKSABQUVIAQQOB-YLJYHZDGSA-N 1 1 379.525 4.774 50 0 GJAAMO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000012578579 221210079 /nfs/dbraw/zinc/21/00/79/221210079.db2.gz QJOLMYCOYWFPMQ-UHFFFAOYSA-N 1 1 382.891 4.565 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCc4ccccc4C)C3)C2)c1 ZINC000012579144 221210423 /nfs/dbraw/zinc/21/04/23/221210423.db2.gz YHLOEUYAKYSEII-SANMLTNESA-N 1 1 390.571 4.751 50 0 GJAAMO [NH3+][C@H](Cc1ccccc1)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000012418162 221189523 /nfs/dbraw/zinc/18/95/23/221189523.db2.gz WCXHOKYYRNPCHX-OAHLLOKOSA-N 1 1 380.300 4.911 50 0 GJAAMO C[N@@H+](Cc1cccc2ncccc12)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012711343 221220017 /nfs/dbraw/zinc/22/00/17/221220017.db2.gz NPSCQLAKVPVVNN-OAQYLSRUSA-N 1 1 391.534 4.760 50 0 GJAAMO C[N@H+](Cc1cccc2ncccc12)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012711343 221220020 /nfs/dbraw/zinc/22/00/20/221220020.db2.gz NPSCQLAKVPVVNN-OAQYLSRUSA-N 1 1 391.534 4.760 50 0 GJAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)cc1 ZINC000012716902 221220934 /nfs/dbraw/zinc/22/09/34/221220934.db2.gz SBGZDTFANVPYAH-HXUWFJFHSA-N 1 1 390.483 4.806 50 0 GJAAMO COc1ccc(-c2nc(C[N@@H+](CC3CCC3)C[C@H]3CCCO3)c(C)o2)cc1C ZINC000012714168 221221603 /nfs/dbraw/zinc/22/16/03/221221603.db2.gz PWCDQOZEFNDQKH-HXUWFJFHSA-N 1 1 384.520 4.748 50 0 GJAAMO CC1CCC([N@@H+](C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1 ZINC000012811982 221235762 /nfs/dbraw/zinc/23/57/62/221235762.db2.gz OZNGVWDDBQFEBD-HTWSVDAQSA-N 1 1 385.533 4.529 50 0 GJAAMO COc1cc(OC)c(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)cc1Cl ZINC000012856697 221238459 /nfs/dbraw/zinc/23/84/59/221238459.db2.gz JZHUINMGQRCDCS-UHFFFAOYSA-N 1 1 398.890 4.581 50 0 GJAAMO COc1cc(OC)c(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)cc1Cl ZINC000012856697 221238461 /nfs/dbraw/zinc/23/84/61/221238461.db2.gz JZHUINMGQRCDCS-UHFFFAOYSA-N 1 1 398.890 4.581 50 0 GJAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4cnc(C)s4)C3)ccc2c1 ZINC000013593278 221275979 /nfs/dbraw/zinc/27/59/79/221275979.db2.gz KQFDPMQZRUTXPA-LJQANCHMSA-N 1 1 380.513 4.708 50 0 GJAAMO FC(F)(F)c1ccc(C[N@H+]2CCCN(c3nc4ccccc4o3)CC2)cc1 ZINC000014254122 221308661 /nfs/dbraw/zinc/30/86/61/221308661.db2.gz XSXTVQOPXZUHSA-UHFFFAOYSA-N 1 1 375.394 4.559 50 0 GJAAMO O=C(c1ccc(Cl)s1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000014955963 221320109 /nfs/dbraw/zinc/32/01/09/221320109.db2.gz WPZRCONBYRHPKA-HXUWFJFHSA-N 1 1 392.927 4.669 50 0 GJAAMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](C3C4CC5CC(C4)CC3C5)C2)o1 ZINC000015063005 221328165 /nfs/dbraw/zinc/32/81/65/221328165.db2.gz DPFSNROVIAGSSI-ZBDKNZDGSA-N 1 1 384.564 4.521 50 0 GJAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+](C)C1CCOCC1 ZINC000015074537 221330505 /nfs/dbraw/zinc/33/05/05/221330505.db2.gz SEFKAVVHQHPJLH-UHFFFAOYSA-N 1 1 397.469 4.737 50 0 GJAAMO CC(=O)c1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000057273929 222030080 /nfs/dbraw/zinc/03/00/80/222030080.db2.gz QNKLLSFLQURNAM-HSZRJFAPSA-N 1 1 392.886 4.860 50 0 GJAAMO CNC(=O)c1ccc(C[N@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)o1 ZINC000072126439 222208737 /nfs/dbraw/zinc/20/87/37/222208737.db2.gz NVCOIOAIBLFEFX-OAHLLOKOSA-N 1 1 394.437 4.503 50 0 GJAAMO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000047797340 570215329 /nfs/dbraw/zinc/21/53/29/570215329.db2.gz SHJHRPGWBLFZKU-UHFFFAOYSA-N 1 1 382.410 4.715 50 0 GJAAMO O=C(O/C(c1ccccc1)=C1/CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000019897751 570228207 /nfs/dbraw/zinc/22/82/07/570228207.db2.gz FTUJSFRVSGWROP-VFJWVMJUSA-N 1 1 377.484 4.530 50 0 GJAAMO CCOc1ccccc1Nc1nnc(SCC[C@H]2CCCC[N@H+]2C)s1 ZINC000032945160 570300424 /nfs/dbraw/zinc/30/04/24/570300424.db2.gz YPQJOUNTLXKVES-CQSZACIVSA-N 1 1 378.567 4.647 50 0 GJAAMO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[N@@H+](CCc2ccccc2)CC1 ZINC000004324611 570368272 /nfs/dbraw/zinc/36/82/72/570368272.db2.gz CFTNGBGJARLWPJ-UHFFFAOYSA-N 1 1 392.330 4.776 50 0 GJAAMO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000032466754 570392037 /nfs/dbraw/zinc/39/20/37/570392037.db2.gz ZKGBTUOFCDOENU-UHFFFAOYSA-N 1 1 387.527 4.706 50 0 GJAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004868983 570414164 /nfs/dbraw/zinc/41/41/64/570414164.db2.gz BWLKACVCLCIDDN-UHFFFAOYSA-N 1 1 375.827 4.950 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@H](c3cccc(F)c3)C2)cc1 ZINC000248077921 570438138 /nfs/dbraw/zinc/43/81/38/570438138.db2.gz JAAWZMSWAFQEBL-JPYJTQIMSA-N 1 1 393.506 4.686 50 0 GJAAMO CC[C@H](C)NC(=O)c1coc(C[N@H+](Cc2cc(C)ccc2C)[C@@H](C)C(C)C)n1 ZINC000036065558 570526329 /nfs/dbraw/zinc/52/63/29/570526329.db2.gz DIXRHJWBHTZFDS-OALUTQOASA-N 1 1 385.552 4.866 50 0 GJAAMO CC[C@H](C)NC(=O)c1coc(C[N@@H+](Cc2cc(C)ccc2C)[C@@H](C)C(C)C)n1 ZINC000036065558 570526331 /nfs/dbraw/zinc/52/63/31/570526331.db2.gz DIXRHJWBHTZFDS-OALUTQOASA-N 1 1 385.552 4.866 50 0 GJAAMO CC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019832609 570536782 /nfs/dbraw/zinc/53/67/82/570536782.db2.gz HKRAMIQMYUYFCC-UHFFFAOYSA-N 1 1 384.479 4.700 50 0 GJAAMO Brc1cccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000257370767 570544952 /nfs/dbraw/zinc/54/49/52/570544952.db2.gz HEGRQVZYUPRVKO-PMACEKPBSA-N 1 1 377.370 4.678 50 0 GJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800848 570547684 /nfs/dbraw/zinc/54/76/84/570547684.db2.gz DYBZESPHZSMGGZ-UHFFFAOYSA-N 1 1 391.450 4.520 50 0 GJAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc2ccc(C)cc2n(Cc2ccccn2)c1=O ZINC000011790768 570582930 /nfs/dbraw/zinc/58/29/30/570582930.db2.gz PFALLNDDLCGMTA-JOCHJYFZSA-N 1 1 375.516 4.518 50 0 GJAAMO Cc1ccsc1C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011842502 570587297 /nfs/dbraw/zinc/58/72/97/570587297.db2.gz KYRRHJYITFXUEN-SFHVURJKSA-N 1 1 390.980 4.737 50 0 GJAAMO Fc1ccccc1-c1csc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)n1 ZINC000225637028 570596916 /nfs/dbraw/zinc/59/69/16/570596916.db2.gz MCGNSTFWGSGWFW-UHFFFAOYSA-N 1 1 382.382 4.980 50 0 GJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](C)O ZINC000036306487 570604804 /nfs/dbraw/zinc/60/48/04/570604804.db2.gz DJLLOZXBJRFRCD-LJQANCHMSA-N 1 1 393.531 4.781 50 0 GJAAMO Cc1ccccc1C[C@@]1(CO)CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000012075162 570605394 /nfs/dbraw/zinc/60/53/94/570605394.db2.gz BJCHDZSDZJKGBL-NRFANRHFSA-N 1 1 377.450 4.831 50 0 GJAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000042437770 570619504 /nfs/dbraw/zinc/61/95/04/570619504.db2.gz CIHJFMRGJVQMSP-LJQANCHMSA-N 1 1 379.479 4.994 50 0 GJAAMO COc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000042489178 570620496 /nfs/dbraw/zinc/62/04/96/570620496.db2.gz FHDUBMBAUPBRNH-INIZCTEOSA-N 1 1 383.442 4.743 50 0 GJAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000036341459 570626105 /nfs/dbraw/zinc/62/61/05/570626105.db2.gz GYKGPCAYNWCNHA-ZHRRBRCNSA-N 1 1 397.469 4.517 50 0 GJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](C)O)C(C)C ZINC000036346301 570628054 /nfs/dbraw/zinc/62/80/54/570628054.db2.gz NUEIFUOOLVUUJK-QGZVFWFLSA-N 1 1 397.494 4.703 50 0 GJAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000012299386 570635374 /nfs/dbraw/zinc/63/53/74/570635374.db2.gz QNHQLRJWOMKPEQ-SFHVURJKSA-N 1 1 384.520 4.790 50 0 GJAAMO Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000006877402 570668291 /nfs/dbraw/zinc/66/82/91/570668291.db2.gz NKJPGMZKWZHFBC-SFHVURJKSA-N 1 1 397.950 4.951 50 0 GJAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000054991740 570678973 /nfs/dbraw/zinc/67/89/73/570678973.db2.gz NXOPRQUIKXFMJJ-LJQANCHMSA-N 1 1 390.449 4.576 50 0 GJAAMO O=C(CC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000054979037 570679047 /nfs/dbraw/zinc/67/90/47/570679047.db2.gz IZWVSGPKTNUZCW-UHFFFAOYSA-N 1 1 388.486 4.888 50 0 GJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)c(OC)c1 ZINC000015953695 570685344 /nfs/dbraw/zinc/68/53/44/570685344.db2.gz HHQJJPINVCIKAC-ZKMPZPQNSA-N 1 1 395.543 4.881 50 0 biogenic GJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800841 570756609 /nfs/dbraw/zinc/75/66/09/570756609.db2.gz HXZHRKCNLIBZPB-UHFFFAOYSA-N 1 1 391.450 4.520 50 0 GJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000013769590 570787420 /nfs/dbraw/zinc/78/74/20/570787420.db2.gz VBYFJVGKRCTMDW-QLBJFCOMSA-N 1 1 395.543 4.881 50 0 GJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000013769588 570787431 /nfs/dbraw/zinc/78/74/31/570787431.db2.gz VBYFJVGKRCTMDW-ICDZXHCJSA-N 1 1 395.543 4.881 50 0 GJAAMO COc1ccc(C[N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)cc1OC ZINC000032751375 570791952 /nfs/dbraw/zinc/79/19/52/570791952.db2.gz APJAKKKZVBIDSG-UHFFFAOYSA-N 1 1 387.483 4.651 50 0 GJAAMO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@@H]3c3cccs3)ccc2c1 ZINC000007362857 570833910 /nfs/dbraw/zinc/83/39/10/570833910.db2.gz DRGNNKORSZKICH-OAQYLSRUSA-N 1 1 394.540 4.705 50 0 GJAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000037133186 570843052 /nfs/dbraw/zinc/84/30/52/570843052.db2.gz ZIXBKPQLKIAYNQ-IAGOWNOFSA-N 1 1 394.490 4.685 50 0 GJAAMO Fc1ccc(-c2noc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 ZINC000032836192 570845950 /nfs/dbraw/zinc/84/59/50/570845950.db2.gz NZBGVOCSGHPXIH-UHFFFAOYSA-N 1 1 395.434 4.549 50 0 GJAAMO Fc1ccc(-c2noc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 ZINC000032836192 570845952 /nfs/dbraw/zinc/84/59/52/570845952.db2.gz NZBGVOCSGHPXIH-UHFFFAOYSA-N 1 1 395.434 4.549 50 0 GJAAMO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@H+](Cc3nnc(C4CC4)o3)C2)c1 ZINC000072129765 570868085 /nfs/dbraw/zinc/86/80/85/570868085.db2.gz ZWCTWUXEHNGUKV-HNNXBMFYSA-N 1 1 379.426 4.811 50 0 GJAAMO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)c1 ZINC000072129765 570868087 /nfs/dbraw/zinc/86/80/87/570868087.db2.gz ZWCTWUXEHNGUKV-HNNXBMFYSA-N 1 1 379.426 4.811 50 0 GJAAMO Cc1ccc(C[N@H+](C)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1 ZINC000033268823 570893705 /nfs/dbraw/zinc/89/37/05/570893705.db2.gz JSVOXGUZNGBMIX-UHFFFAOYSA-N 1 1 393.487 4.503 50 0 GJAAMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4ccccc4C)CC3)c2c1 ZINC000047257431 570950422 /nfs/dbraw/zinc/95/04/22/570950422.db2.gz SUQRCZUDYFZDRZ-QGZVFWFLSA-N 1 1 389.499 4.601 50 0 GJAAMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4ccccc4C)CC3)c2c1 ZINC000047257431 570950425 /nfs/dbraw/zinc/95/04/25/570950425.db2.gz SUQRCZUDYFZDRZ-QGZVFWFLSA-N 1 1 389.499 4.601 50 0 GJAAMO O=C(c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019597045 571021036 /nfs/dbraw/zinc/02/10/36/571021036.db2.gz HJEAXBLCWQIXHQ-UHFFFAOYSA-N 1 1 390.914 4.887 50 0 GJAAMO Cc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)cs1 ZINC000095364417 571057303 /nfs/dbraw/zinc/05/73/03/571057303.db2.gz UJWNRDJPNDDALJ-HXUWFJFHSA-N 1 1 381.589 4.686 50 0 GJAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2SC)C3)cc1 ZINC000095370148 571060486 /nfs/dbraw/zinc/06/04/86/571060486.db2.gz CRGUEGHEVOLNOC-PZJWPPBQSA-N 1 1 382.573 4.514 50 0 GJAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3SC)C2)cc1 ZINC000095370148 571060488 /nfs/dbraw/zinc/06/04/88/571060488.db2.gz CRGUEGHEVOLNOC-PZJWPPBQSA-N 1 1 382.573 4.514 50 0 GJAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3SC)C2)cc1 ZINC000095370148 571060489 /nfs/dbraw/zinc/06/04/89/571060489.db2.gz CRGUEGHEVOLNOC-PZJWPPBQSA-N 1 1 382.573 4.514 50 0 GJAAMO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000121120076 231025657 /nfs/dbraw/zinc/02/56/57/231025657.db2.gz YYTULPJWTSPOSI-HSZRJFAPSA-N 1 1 378.516 4.790 50 0 GJAAMO Cc1cc(C)c(NC(=S)NC[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)c1 ZINC000004683344 206541100 /nfs/dbraw/zinc/54/11/00/206541100.db2.gz AQNQKVLAOFOLOO-VQTJNVASSA-N 1 1 381.589 4.981 50 0 GJAAMO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)cc1 ZINC000015068305 207042404 /nfs/dbraw/zinc/04/24/04/207042404.db2.gz CYCZYDSXTWKZGE-JOCHJYFZSA-N 1 1 387.483 4.785 50 0 GJAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)cc1 ZINC000015068305 207042408 /nfs/dbraw/zinc/04/24/08/207042408.db2.gz CYCZYDSXTWKZGE-JOCHJYFZSA-N 1 1 387.483 4.785 50 0 GJAAMO CCCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000015669161 207053525 /nfs/dbraw/zinc/05/35/25/207053525.db2.gz VKNJSACWZNRZAS-UHFFFAOYSA-N 1 1 387.487 4.642 50 0 GJAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)c1 ZINC000015961854 207068890 /nfs/dbraw/zinc/06/88/90/207068890.db2.gz INFSZTWDDDDSMS-LJQANCHMSA-N 1 1 381.520 4.561 50 0 GJAAMO C[NH+]1CCC(NCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 ZINC000019220828 207108246 /nfs/dbraw/zinc/10/82/46/207108246.db2.gz AHKZDXNHYSMTBE-UHFFFAOYSA-N 1 1 398.913 4.516 50 0 GJAAMO CC[N@@H+](CCNc1ncnc2onc(-c3ccc(C)cc3)c21)Cc1ccccc1 ZINC000021715090 207235568 /nfs/dbraw/zinc/23/55/68/207235568.db2.gz LRBHYLKTJZHWNL-UHFFFAOYSA-N 1 1 387.487 4.527 50 0 GJAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)[nH+]1 ZINC000021795431 207238180 /nfs/dbraw/zinc/23/81/80/207238180.db2.gz FVAPTPYYWAFFOZ-UHFFFAOYSA-N 1 1 396.882 4.892 50 0 GJAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(N(C)C)[nH+]1 ZINC000021795431 207238185 /nfs/dbraw/zinc/23/81/85/207238185.db2.gz FVAPTPYYWAFFOZ-UHFFFAOYSA-N 1 1 396.882 4.892 50 0 GJAAMO CCc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1 ZINC000021795414 207238712 /nfs/dbraw/zinc/23/87/12/207238712.db2.gz IPTHAFBQDVOQLV-UHFFFAOYSA-N 1 1 390.491 4.801 50 0 GJAAMO CCc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1 ZINC000021795414 207238713 /nfs/dbraw/zinc/23/87/13/207238713.db2.gz IPTHAFBQDVOQLV-UHFFFAOYSA-N 1 1 390.491 4.801 50 0 GJAAMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000022914313 207262454 /nfs/dbraw/zinc/26/24/54/207262454.db2.gz CUXKYTFOCYWFKB-IRXDYDNUSA-N 1 1 396.922 4.830 50 0 GJAAMO CC(=O)c1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)c1 ZINC000012718627 207331048 /nfs/dbraw/zinc/33/10/48/207331048.db2.gz XKUPIRNRBUHQIQ-DEOSSOPVSA-N 1 1 380.507 4.516 50 0 GJAAMO CC(=O)c1cccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000012718627 207331054 /nfs/dbraw/zinc/33/10/54/207331054.db2.gz XKUPIRNRBUHQIQ-DEOSSOPVSA-N 1 1 380.507 4.516 50 0 GJAAMO CC(=O)c1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000012718627 207331059 /nfs/dbraw/zinc/33/10/59/207331059.db2.gz XKUPIRNRBUHQIQ-DEOSSOPVSA-N 1 1 380.507 4.516 50 0 GJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N1CCSc2ccccc21 ZINC000029936355 207366699 /nfs/dbraw/zinc/36/66/99/207366699.db2.gz AQDLDIJQVZFHSE-NRFANRHFSA-N 1 1 398.528 4.705 50 0 GJAAMO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828570 207367750 /nfs/dbraw/zinc/36/77/50/207367750.db2.gz CXGLHCLTISEDEY-MRXNPFEDSA-N 1 1 395.528 4.758 50 0 GJAAMO Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000032593454 207398005 /nfs/dbraw/zinc/39/80/05/207398005.db2.gz XTHUJIDPYXCETD-HXUWFJFHSA-N 1 1 385.891 4.684 50 0 GJAAMO Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000032593454 207398010 /nfs/dbraw/zinc/39/80/10/207398010.db2.gz XTHUJIDPYXCETD-HXUWFJFHSA-N 1 1 385.891 4.684 50 0 GJAAMO COC[C@@H]1CC[N@@H+](Cc2cc3ccc(C)cc3nc2-c2ccc(OC)cc2)C1 ZINC000072429794 208024109 /nfs/dbraw/zinc/02/41/09/208024109.db2.gz NQZJUSHLXIPNRK-GOSISDBHSA-N 1 1 376.500 4.687 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2cscn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095507051 208207204 /nfs/dbraw/zinc/20/72/04/208207204.db2.gz VXNZYKWEYRVBLR-AWEZNQCLSA-N 1 1 397.466 4.793 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cscn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095507051 208207207 /nfs/dbraw/zinc/20/72/07/208207207.db2.gz VXNZYKWEYRVBLR-AWEZNQCLSA-N 1 1 397.466 4.793 50 0 GJAAMO CC(C)[N@@H+]1Cc2cccc(NC(=O)CCc3ccccc3OC(F)(F)F)c2C1 ZINC000095464815 208188916 /nfs/dbraw/zinc/18/89/16/208188916.db2.gz JUXRBPLQQMFLPA-UHFFFAOYSA-N 1 1 392.421 4.881 50 0 GJAAMO CC(C)[N@H+]1Cc2cccc(NC(=O)CCc3ccccc3OC(F)(F)F)c2C1 ZINC000095464815 208188921 /nfs/dbraw/zinc/18/89/21/208188921.db2.gz JUXRBPLQQMFLPA-UHFFFAOYSA-N 1 1 392.421 4.881 50 0 GJAAMO O[C@]12CCCC[C@H]1[C@H](c1ccc3c(c1)OCO3)[N@@H+](Cc1ccccc1Cl)CC2 ZINC000230012735 209004263 /nfs/dbraw/zinc/00/42/63/209004263.db2.gz DHAIHTADTTVAFV-TZYHBYERSA-N 1 1 399.918 4.937 50 0 GJAAMO Cc1c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc2nccc(C)c12 ZINC000252550584 209037445 /nfs/dbraw/zinc/03/74/45/209037445.db2.gz SUKIEIYPQZBGKZ-HKUYNNGSSA-N 1 1 393.556 4.554 50 0 GJAAMO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3ccc(Cl)cc3Cl)cc(=O)oc12 ZINC000007267710 220992223 /nfs/dbraw/zinc/99/22/23/220992223.db2.gz QMSIHMMLWTZRMG-LLVKDONJSA-N 1 1 378.255 4.965 50 0 GJAAMO COc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCc1ccccc1 ZINC000008775644 221058326 /nfs/dbraw/zinc/05/83/26/221058326.db2.gz CXJNPNPMMLSICP-UHFFFAOYSA-N 1 1 382.548 4.673 50 0 GJAAMO O[C@H](CN1c2ccccc2Sc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000009970618 221095627 /nfs/dbraw/zinc/09/56/27/221095627.db2.gz PNPBTSJNYCVQSK-FQEVSTJZSA-N 1 1 388.536 4.709 50 0 GJAAMO COc1cccc(OC)c1-c1cc2c(c(OC)c1)OCC[N@H+](C1CCCC1)C2 ZINC000012283678 221174902 /nfs/dbraw/zinc/17/49/02/221174902.db2.gz KFTBJDQWBRLVJV-UHFFFAOYSA-N 1 1 383.488 4.516 50 0 GJAAMO CCCn1ncc(C[N@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)c1C ZINC000012373788 221185961 /nfs/dbraw/zinc/18/59/61/221185961.db2.gz DAXANSSVTIUGEP-FQEVSTJZSA-N 1 1 375.516 4.850 50 0 GJAAMO Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)c1 ZINC000012448464 221197053 /nfs/dbraw/zinc/19/70/53/221197053.db2.gz DUEPRNKXJLMUCC-QFIPXVFZSA-N 1 1 387.483 4.785 50 0 GJAAMO C[C@H](NC(=O)C[N@H+](C)Cc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000012692097 221218561 /nfs/dbraw/zinc/21/85/61/221218561.db2.gz OSDHJYNXFKBBSR-SFHVURJKSA-N 1 1 376.475 4.802 50 0 GJAAMO C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000012692097 221218563 /nfs/dbraw/zinc/21/85/63/221218563.db2.gz OSDHJYNXFKBBSR-SFHVURJKSA-N 1 1 376.475 4.802 50 0 GJAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccco2)C1)c1ccc(F)cc1 ZINC000012745409 221223423 /nfs/dbraw/zinc/22/34/23/221223423.db2.gz SIXUVQIMABKYPZ-SFHVURJKSA-N 1 1 392.474 4.728 50 0 GJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccnn1C1CCCC1 ZINC000012780957 221230696 /nfs/dbraw/zinc/23/06/96/221230696.db2.gz XATRNSJIHNTYPS-NRFANRHFSA-N 1 1 398.507 4.517 50 0 GJAAMO C[NH+](C)[C@H](CNc1ncnc2sc3c(c21)CCCC3)c1ccccc1Cl ZINC000013040206 221258697 /nfs/dbraw/zinc/25/86/97/221258697.db2.gz FIKOHCAFETUTCP-MRXNPFEDSA-N 1 1 386.952 4.938 50 0 GJAAMO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl ZINC000014774271 221317864 /nfs/dbraw/zinc/31/78/64/221317864.db2.gz TUKNTICRIPRCIU-LBPRGKRZSA-N 1 1 389.883 4.892 50 0 GJAAMO Brc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccs1)OCCO2 ZINC000015301534 221334158 /nfs/dbraw/zinc/33/41/58/221334158.db2.gz PFOPHXOGARGGLR-AWEZNQCLSA-N 1 1 380.307 4.619 50 0 GJAAMO Brc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccs1)OCCO2 ZINC000015301534 221334160 /nfs/dbraw/zinc/33/41/60/221334160.db2.gz PFOPHXOGARGGLR-AWEZNQCLSA-N 1 1 380.307 4.619 50 0 GJAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc1 ZINC000015074835 221330519 /nfs/dbraw/zinc/33/05/19/221330519.db2.gz WPDVQNFGRIWVHW-SFHVURJKSA-N 1 1 384.907 4.702 50 0 GJAAMO C[C@@H]1CN(c2ccccc2C[N@H+]2CCCCC[C@@H]2c2ccncc2)C[C@@H](C)O1 ZINC000095453811 136179230 /nfs/dbraw/zinc/17/92/30/136179230.db2.gz VAJSQJIBUOOABE-TXTKFYIRSA-N 1 1 379.548 4.813 50 0 GJAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)CCOc1ccccc1F ZINC000058289241 222047541 /nfs/dbraw/zinc/04/75/41/222047541.db2.gz ZEWILXLKRKVUNG-ZDUSSCGKSA-N 1 1 375.831 4.601 50 0 GJAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)CCOc1ccccc1F ZINC000058289241 222047545 /nfs/dbraw/zinc/04/75/45/222047545.db2.gz ZEWILXLKRKVUNG-ZDUSSCGKSA-N 1 1 375.831 4.601 50 0 GJAAMO Cc1[nH+]ccn1-c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1F ZINC000058357487 222050246 /nfs/dbraw/zinc/05/02/46/222050246.db2.gz RFRXKSXPTMQLHU-UHFFFAOYSA-N 1 1 384.764 4.999 50 0 GJAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)cc(C)[nH+]1 ZINC000064801424 222081808 /nfs/dbraw/zinc/08/18/08/222081808.db2.gz COXXQFZNXIYTMI-UHFFFAOYSA-N 1 1 380.427 4.744 50 0 GJAAMO Brc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccs3)o2)c1 ZINC000065608523 222135060 /nfs/dbraw/zinc/13/50/60/222135060.db2.gz XPBZWVFKIDHPDQ-CQSZACIVSA-N 1 1 390.306 4.898 50 0 GJAAMO Brc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccs3)o2)c1 ZINC000065608523 222135064 /nfs/dbraw/zinc/13/50/64/222135064.db2.gz XPBZWVFKIDHPDQ-CQSZACIVSA-N 1 1 390.306 4.898 50 0 GJAAMO Fc1ccc(-c2noc3c2C[N@@H+](CCc2c[nH]c4ccccc24)CC3)cc1F ZINC000067852113 222162957 /nfs/dbraw/zinc/16/29/57/222162957.db2.gz FZIHXMURMMGIPH-UHFFFAOYSA-N 1 1 379.410 4.702 50 0 GJAAMO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+]1CCC[C@@H]1CO ZINC000072479153 222266070 /nfs/dbraw/zinc/26/60/70/222266070.db2.gz OJDQQBDFKKHHKF-GOSISDBHSA-N 1 1 382.891 4.521 50 0 GJAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1)NCc1ccc(F)c(F)c1 ZINC000095529230 222352172 /nfs/dbraw/zinc/35/21/72/222352172.db2.gz ATVJEHDOJMSLTE-AWEZNQCLSA-N 1 1 396.865 4.520 50 0 GJAAMO Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]Cc2cccc(Cl)n2)cc1 ZINC000096012810 222370673 /nfs/dbraw/zinc/37/06/73/222370673.db2.gz OWVFECPJRQUIAB-LJQANCHMSA-N 1 1 380.854 4.755 50 0 GJAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C1 ZINC000012796020 570217387 /nfs/dbraw/zinc/21/73/87/570217387.db2.gz VMNTVIOWYBVUOX-VXGBXAGGSA-N 1 1 381.904 4.666 50 0 GJAAMO c1cn(-c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)cn1 ZINC000032533615 570220646 /nfs/dbraw/zinc/22/06/46/570220646.db2.gz VTQSBWCWGGFUAU-UHFFFAOYSA-N 1 1 375.501 4.530 50 0 GJAAMO CCOc1ccc(/C=C2\[NH2+]CCc3cc(OCC)c(OCC)cc32)cc1OCC ZINC000100011979 570264852 /nfs/dbraw/zinc/26/48/52/570264852.db2.gz OMFNSKIUKYOYRG-MOSHPQCFSA-N 1 1 397.515 4.925 50 0 world GJAAMO Cc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012871261 570272794 /nfs/dbraw/zinc/27/27/94/570272794.db2.gz KIPLBHZMTCJEQG-QGZVFWFLSA-N 1 1 393.556 4.662 50 0 GJAAMO CC(=O)c1ccccc1OCC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012913574 570291817 /nfs/dbraw/zinc/29/18/17/570291817.db2.gz KWMYAWRLUJWTSM-HSZRJFAPSA-N 1 1 377.509 4.977 50 0 GJAAMO CC(=O)c1ccccc1OCC[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012913574 570291818 /nfs/dbraw/zinc/29/18/18/570291818.db2.gz KWMYAWRLUJWTSM-HSZRJFAPSA-N 1 1 377.509 4.977 50 0 GJAAMO CCOc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2c(C)noc2CC)cc1 ZINC000021720803 570294828 /nfs/dbraw/zinc/29/48/28/570294828.db2.gz JYVZZOLAKSHSHW-LJQANCHMSA-N 1 1 380.492 4.671 50 0 GJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCNC(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000004214064 570363094 /nfs/dbraw/zinc/36/30/94/570363094.db2.gz DTOKETCXTCHCDD-ZFGGDYGUSA-N 1 1 394.559 4.966 50 0 in-man GJAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024961897 570399940 /nfs/dbraw/zinc/39/99/40/570399940.db2.gz FSSJNYXEBFJICT-FQEVSTJZSA-N 1 1 376.456 4.758 50 0 GJAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024961897 570399944 /nfs/dbraw/zinc/39/99/44/570399944.db2.gz FSSJNYXEBFJICT-FQEVSTJZSA-N 1 1 376.456 4.758 50 0 GJAAMO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000004980533 570421231 /nfs/dbraw/zinc/42/12/31/570421231.db2.gz INYOSINQIJOQKT-UHFFFAOYSA-N 1 1 388.511 4.596 50 0 GJAAMO CC(=O)OCC[N@@H+](C[C@@H]1[C@H](C)C=C(C)C[C@H]1C)C[C@@H]1[C@H](C)C=C(C)C[C@@H]1C ZINC000239025466 570427825 /nfs/dbraw/zinc/42/78/25/570427825.db2.gz BRHVDTJVVBPNCJ-BLLLPLFDSA-N 1 1 375.597 5.328 50 0 GJAAMO CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)c1 ZINC000027663874 570439205 /nfs/dbraw/zinc/43/92/05/570439205.db2.gz JORLZVQMUWWNQR-OAQYLSRUSA-N 1 1 386.923 4.696 50 0 GJAAMO O[C@@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000028296808 570457721 /nfs/dbraw/zinc/45/77/21/570457721.db2.gz QKFZOMGHFZCHBG-LJQANCHMSA-N 1 1 394.946 4.593 50 0 GJAAMO COc1cc(C(C)=O)ccc1OCCCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000006624437 570508727 /nfs/dbraw/zinc/50/87/27/570508727.db2.gz RJROGNNLCSDZQC-NRFANRHFSA-N 1 1 382.504 4.679 50 0 biogenic GJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103532 570540382 /nfs/dbraw/zinc/54/03/82/570540382.db2.gz NQOKTDHUWAQBBP-FQEVSTJZSA-N 1 1 385.504 4.638 50 0 GJAAMO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3ccccn3)c(C)o2)c(OC)c1 ZINC000011668162 570579302 /nfs/dbraw/zinc/57/93/02/570579302.db2.gz RGXOVBJDGCXGCH-NRFANRHFSA-N 1 1 393.487 4.789 50 0 GJAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3ccccn3)c(C)o2)c(OC)c1 ZINC000011668162 570579304 /nfs/dbraw/zinc/57/93/04/570579304.db2.gz RGXOVBJDGCXGCH-NRFANRHFSA-N 1 1 393.487 4.789 50 0 GJAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000011667817 570579592 /nfs/dbraw/zinc/57/95/92/570579592.db2.gz LTCMWJFACHABQC-HXUWFJFHSA-N 1 1 397.906 4.880 50 0 GJAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000011667817 570579593 /nfs/dbraw/zinc/57/95/93/570579593.db2.gz LTCMWJFACHABQC-HXUWFJFHSA-N 1 1 397.906 4.880 50 0 GJAAMO CSCCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012054572 570602186 /nfs/dbraw/zinc/60/21/86/570602186.db2.gz IPAONOFVFGIZLE-LJQANCHMSA-N 1 1 382.573 4.549 50 0 GJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)CC ZINC000036308533 570605274 /nfs/dbraw/zinc/60/52/74/570605274.db2.gz DQZVDQUNUKTDMW-OAQYLSRUSA-N 1 1 393.531 4.956 50 0 GJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036307710 570606023 /nfs/dbraw/zinc/60/60/23/570606023.db2.gz QTMZHPGSZWTXIV-QGZVFWFLSA-N 1 1 397.494 4.611 50 0 GJAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c(C)n1 ZINC000012201223 570624467 /nfs/dbraw/zinc/62/44/67/570624467.db2.gz BYDXKZTZWZRTCR-FQEVSTJZSA-N 1 1 387.527 4.558 50 0 GJAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)C(C)C)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340988 570625287 /nfs/dbraw/zinc/62/52/87/570625287.db2.gz ATRIQJWBFRBMBZ-QFIPXVFZSA-N 1 1 397.950 4.975 50 0 GJAAMO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C)c1 ZINC000036347434 570628810 /nfs/dbraw/zinc/62/88/10/570628810.db2.gz QSZTUXNBXRYSHO-DEOSSOPVSA-N 1 1 376.500 4.809 50 0 GJAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000036347618 570629779 /nfs/dbraw/zinc/62/97/79/570629779.db2.gz BVSDAGKNFIYGEB-QHCPKHFHSA-N 1 1 380.463 4.640 50 0 GJAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000036347618 570629781 /nfs/dbraw/zinc/62/97/81/570629781.db2.gz BVSDAGKNFIYGEB-QHCPKHFHSA-N 1 1 380.463 4.640 50 0 GJAAMO C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000006833253 570636421 /nfs/dbraw/zinc/63/64/21/570636421.db2.gz JRBBXNBIGSYQQS-WZONZLPQSA-N 1 1 378.560 4.998 50 0 GJAAMO Cc1occc1C(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012307756 570639851 /nfs/dbraw/zinc/63/98/51/570639851.db2.gz WQCDWBKBEGPIJT-NRFANRHFSA-N 1 1 395.547 4.670 50 0 GJAAMO FC(F)(F)c1cccc(-c2noc(CCC[N@H+]3CCc4ccccc4C3)n2)c1 ZINC000024992480 570662194 /nfs/dbraw/zinc/66/21/94/570662194.db2.gz BTMZUIBJNUVGJI-UHFFFAOYSA-N 1 1 387.405 4.746 50 0 GJAAMO O=C(Nc1ccc(Cl)cc1)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877306 570666318 /nfs/dbraw/zinc/66/63/18/570666318.db2.gz HVIFOEYWRRWJKE-UHFFFAOYSA-N 1 1 383.923 4.642 50 0 GJAAMO CC[N@H+]1CC[C@H](N(C)Cc2cc3ccc(SC)cc3nc2Cl)[C@@H](C)C1 ZINC000229848068 570666757 /nfs/dbraw/zinc/66/67/57/570666757.db2.gz PGEKTUCFYIHRFP-LIRRHRJNSA-N 1 1 377.985 4.772 50 0 GJAAMO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006880995 570675966 /nfs/dbraw/zinc/67/59/66/570675966.db2.gz RUUSNCVZPWZRDU-LBPRGKRZSA-N 1 1 385.722 4.956 50 0 GJAAMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006880995 570675969 /nfs/dbraw/zinc/67/59/69/570675969.db2.gz RUUSNCVZPWZRDU-LBPRGKRZSA-N 1 1 385.722 4.956 50 0 GJAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012581143 570683899 /nfs/dbraw/zinc/68/38/99/570683899.db2.gz ILSIJFJYPWRPBW-FQEVSTJZSA-N 1 1 389.543 4.503 50 0 GJAAMO O[C@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000006927227 570708247 /nfs/dbraw/zinc/70/82/47/570708247.db2.gz RDZKUDPALZMKLW-CPCGSPRYSA-N 1 1 391.511 4.797 50 0 biogenic GJAAMO O=C(c1cc(Cl)ccc1Cl)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000058217481 570720997 /nfs/dbraw/zinc/72/09/97/570720997.db2.gz YTWVTYYJSKELNK-UHFFFAOYSA-N 1 1 391.342 4.774 50 0 GJAAMO Cc1ccccc1N1C2=CCCCC[N@H+]2C[C@]1(O)c1ccc(Br)cc1 ZINC000006996254 570733057 /nfs/dbraw/zinc/73/30/57/570733057.db2.gz WWVWXAUZWDBUDO-NRFANRHFSA-N 1 1 399.332 4.750 50 0 GJAAMO CC(C)[N@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccccc1 ZINC000059833645 570739287 /nfs/dbraw/zinc/73/92/87/570739287.db2.gz ZGNFWWQWJONETG-UHFFFAOYSA-N 1 1 392.322 4.971 50 0 GJAAMO CC(C)[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccccc1 ZINC000059833645 570739289 /nfs/dbraw/zinc/73/92/89/570739289.db2.gz ZGNFWWQWJONETG-UHFFFAOYSA-N 1 1 392.322 4.971 50 0 GJAAMO C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H](CNC(=S)Nc2cccc(C(F)(F)F)c2)C1 ZINC000004669803 570816686 /nfs/dbraw/zinc/81/66/86/570816686.db2.gz JHCKBLSSMCMIBK-RKVPGOIHSA-N 1 1 399.526 4.892 50 0 GJAAMO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3ccc(Cl)cc3Cl)cc(=O)oc12 ZINC000007267709 570822575 /nfs/dbraw/zinc/82/25/75/570822575.db2.gz QMSIHMMLWTZRMG-NSHDSACASA-N 1 1 378.255 4.965 50 0 GJAAMO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000011223718 570826927 /nfs/dbraw/zinc/82/69/27/570826927.db2.gz KAANKWNMPBJJOS-GOSISDBHSA-N 1 1 384.467 4.712 50 0 GJAAMO CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000011223718 570826930 /nfs/dbraw/zinc/82/69/30/570826930.db2.gz KAANKWNMPBJJOS-GOSISDBHSA-N 1 1 384.467 4.712 50 0 GJAAMO COc1ccccc1-c1cc(C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)on1 ZINC000012588269 570882674 /nfs/dbraw/zinc/88/26/74/570882674.db2.gz KXSGMMGAGNFJAH-UHFFFAOYSA-N 1 1 397.906 4.634 50 0 GJAAMO Fc1cccc(Cl)c1[C@@H](CNc1nccc(C(F)(F)F)n1)[NH+]1CCCC1 ZINC000089768031 570912037 /nfs/dbraw/zinc/91/20/37/570912037.db2.gz LKDAOLCBPQYJKM-CYBMUJFWSA-N 1 1 388.796 4.537 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000012736705 570979623 /nfs/dbraw/zinc/97/96/23/570979623.db2.gz AVLBFNVMRXMMPB-NRFANRHFSA-N 1 1 382.504 4.568 50 0 GJAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000012736705 570979627 /nfs/dbraw/zinc/97/96/27/570979627.db2.gz AVLBFNVMRXMMPB-NRFANRHFSA-N 1 1 382.504 4.568 50 0 GJAAMO C[N@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108067866 570981404 /nfs/dbraw/zinc/98/14/04/570981404.db2.gz KTTXLQBMHDBRTG-CZUORRHYSA-N 1 1 392.113 4.785 50 0 GJAAMO C[N@@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108067866 570981410 /nfs/dbraw/zinc/98/14/10/570981410.db2.gz KTTXLQBMHDBRTG-CZUORRHYSA-N 1 1 392.113 4.785 50 0 GJAAMO C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000084718151 571033014 /nfs/dbraw/zinc/03/30/14/571033014.db2.gz MTLCJTGEUVTNQR-DJJJIMSYSA-N 1 1 390.405 4.719 50 0 GJAAMO C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000084718151 571033015 /nfs/dbraw/zinc/03/30/15/571033015.db2.gz MTLCJTGEUVTNQR-DJJJIMSYSA-N 1 1 390.405 4.719 50 0 GJAAMO