smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3cccc(C)c3OC)n(C)n2)CC1 ZINC000257214104 858610117 /nfs/dbraw/zinc/61/01/17/858610117.db2.gz CKNKAPYOBBTTQN-WGSAOQKQSA-N 2 2 384.568 3.862 40 0 GHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3cccc(C)c3OC)n(C)n2)CC1 ZINC000257214104 858610124 /nfs/dbraw/zinc/61/01/24/858610124.db2.gz CKNKAPYOBBTTQN-WGSAOQKQSA-N 2 2 384.568 3.862 40 0 GHABLP O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038831771 205039047 /nfs/dbraw/zinc/03/90/47/205039047.db2.gz WSHRFEFYMCLEGN-UHFFFAOYSA-N 2 2 388.515 3.847 40 0 GHABLP Fc1cccc(-c2ccc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)cc2)c1 ZINC000072372075 205335203 /nfs/dbraw/zinc/33/52/03/205335203.db2.gz LOVZNEXETVBIBK-UHFFFAOYSA-N 2 2 391.494 3.567 40 0 GHABLP OC1(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC[NH+](C2CCC2)CC1 ZINC000225473456 206051580 /nfs/dbraw/zinc/05/15/80/206051580.db2.gz IVRYIRKOYUHJEK-UHFFFAOYSA-N 2 2 383.561 3.537 40 0 biogenic,in-vitro GHABLP OC1(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC[NH+](C2CCC2)CC1 ZINC000225473456 206051585 /nfs/dbraw/zinc/05/15/85/206051585.db2.gz IVRYIRKOYUHJEK-UHFFFAOYSA-N 2 2 383.561 3.537 40 0 biogenic,in-vitro GHABLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccnc(N3CCCC3)n2)c1 ZINC000019293767 570973094 /nfs/dbraw/zinc/97/30/94/570973094.db2.gz BNCQGPQXJPJUHH-UHFFFAOYSA-N 2 2 394.498 3.505 40 0 GHABLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccnc(N3CCCC3)n2)c1 ZINC000019293767 570973097 /nfs/dbraw/zinc/97/30/97/570973097.db2.gz BNCQGPQXJPJUHH-UHFFFAOYSA-N 2 2 394.498 3.505 40 0 GHABLP C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461746 570988947 /nfs/dbraw/zinc/98/89/47/570988947.db2.gz LQCXFSSSFHKZID-OAQYLSRUSA-N 2 2 392.547 3.905 40 0 GHABLP C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461746 570988953 /nfs/dbraw/zinc/98/89/53/570988953.db2.gz LQCXFSSSFHKZID-OAQYLSRUSA-N 2 2 392.547 3.905 40 0 GHABLP C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461746 570988958 /nfs/dbraw/zinc/98/89/58/570988958.db2.gz LQCXFSSSFHKZID-OAQYLSRUSA-N 2 2 392.547 3.905 40 0 GHABLP C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461746 570988960 /nfs/dbraw/zinc/98/89/60/570988960.db2.gz LQCXFSSSFHKZID-OAQYLSRUSA-N 2 2 392.547 3.905 40 0 GHABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2cccc(OC)c2)Cc2ccccc21 ZINC000306125744 206197129 /nfs/dbraw/zinc/19/71/29/206197129.db2.gz DARSXGCQVMKTLR-JOCHJYFZSA-N 2 2 377.488 3.686 40 0 GHABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2cccc(OC)c2)Cc2ccccc21 ZINC000306125744 206197131 /nfs/dbraw/zinc/19/71/31/206197131.db2.gz DARSXGCQVMKTLR-JOCHJYFZSA-N 2 2 377.488 3.686 40 0 GHABLP C[NH+]1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@]21CCC[NH+](Cc2ccco2)CC1 ZINC000306132728 206201666 /nfs/dbraw/zinc/20/16/66/206201666.db2.gz LQMKNZZXURCYNH-QHCPKHFHSA-N 3 2 379.548 3.700 40 0 GHABLP C[NH+]1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@]21CCC[NH+](Cc2ccco2)CC1 ZINC000306132728 206201669 /nfs/dbraw/zinc/20/16/69/206201669.db2.gz LQMKNZZXURCYNH-QHCPKHFHSA-N 3 2 379.548 3.700 40 0 GHABLP C[NH+]1CC2(C1)C[NH+](Cc1ccccc1)C[C@@]21CCC[N@H+](Cc2ccco2)CC1 ZINC000306132728 206201674 /nfs/dbraw/zinc/20/16/74/206201674.db2.gz LQMKNZZXURCYNH-QHCPKHFHSA-N 3 2 379.548 3.700 40 0 GHABLP C[NH+]1CC2(C1)C[NH+](Cc1ccccc1)C[C@@]21CCC[N@@H+](Cc2ccco2)CC1 ZINC000306132728 206201677 /nfs/dbraw/zinc/20/16/77/206201677.db2.gz LQMKNZZXURCYNH-QHCPKHFHSA-N 3 2 379.548 3.700 40 0 GHABLP c1ccc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CCCCC3)[nH+]2)cc1 ZINC000243462669 570457919 /nfs/dbraw/zinc/45/79/19/570457919.db2.gz NIAHSMIZXHHBSF-UHFFFAOYSA-N 2 2 381.524 3.632 40 0 GHABLP Cc1ccccc1OC1CC[NH+](CC(=O)Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC000019664348 571027128 /nfs/dbraw/zinc/02/71/28/571027128.db2.gz XNCOUVLEMRTAHY-UHFFFAOYSA-N 2 2 390.487 3.663 40 0 GHABLP Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705513 571031548 /nfs/dbraw/zinc/03/15/48/571031548.db2.gz XGNGHYCMTRZFCD-FQEVSTJZSA-N 2 2 377.467 3.525 40 0 GHABLP Fc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705513 571031549 /nfs/dbraw/zinc/03/15/49/571031549.db2.gz XGNGHYCMTRZFCD-FQEVSTJZSA-N 2 2 377.467 3.525 40 0 GHABLP C[C@H]1CCCN(c2ncc(C[N@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cn2)C1 ZINC000019715681 571037201 /nfs/dbraw/zinc/03/72/01/571037201.db2.gz QDZYTGBTPMEHHW-FQEVSTJZSA-N 2 2 393.579 3.809 40 0 GHABLP C[C@H]1CCCN(c2ncc(C[N@@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cn2)C1 ZINC000019715681 571037203 /nfs/dbraw/zinc/03/72/03/571037203.db2.gz QDZYTGBTPMEHHW-FQEVSTJZSA-N 2 2 393.579 3.809 40 0 GHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3ccc(C)cc3OC)n(C)n2)CC1 ZINC000257337267 858630381 /nfs/dbraw/zinc/63/03/81/858630381.db2.gz YSBQZHVVVSRYRX-WGSAOQKQSA-N 2 2 384.568 3.862 40 0 GHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3ccc(C)cc3OC)n(C)n2)CC1 ZINC000257337267 858630390 /nfs/dbraw/zinc/63/03/90/858630390.db2.gz YSBQZHVVVSRYRX-WGSAOQKQSA-N 2 2 384.568 3.862 40 0 GHABLP COc1ccc(-c2nc(NCCC[NH+]3CCCCC3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221395 204385170 /nfs/dbraw/zinc/38/51/70/204385170.db2.gz KVLHPWDBKZYABE-UHFFFAOYSA-N 2 2 392.507 3.830 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329063985 570215955 /nfs/dbraw/zinc/21/59/55/570215955.db2.gz XHAPTUNTEDTVLF-UHFFFAOYSA-N 2 2 399.901 3.887 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329065507 570216051 /nfs/dbraw/zinc/21/60/51/570216051.db2.gz XSJHTRFTYJZUFE-UHFFFAOYSA-N 2 2 380.323 3.612 40 0 GHABLP Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCCOc3ccccc3)C2)cc[nH+]1 ZINC000072356490 205332547 /nfs/dbraw/zinc/33/25/47/205332547.db2.gz RNIWFBGMBBCTIN-GOSISDBHSA-N 2 2 377.492 3.702 40 0 GHABLP Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCCOc3ccccc3)C2)cc[nH+]1 ZINC000072356490 205332552 /nfs/dbraw/zinc/33/25/52/205332552.db2.gz RNIWFBGMBBCTIN-GOSISDBHSA-N 2 2 377.492 3.702 40 0 GHABLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1cc(Nc2ncc(C)s2)cc(C)[nH+]1 ZINC000072372479 205338612 /nfs/dbraw/zinc/33/86/12/205338612.db2.gz JXKFMORYZAPRSB-SFHVURJKSA-N 2 2 387.553 3.904 40 0 GHABLP CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cc(Nc2ncc(C)s2)cc(C)[nH+]1 ZINC000072372479 205338615 /nfs/dbraw/zinc/33/86/15/205338615.db2.gz JXKFMORYZAPRSB-SFHVURJKSA-N 2 2 387.553 3.904 40 0 GHABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@H+](Cc3cnn(C(C)C)c3)C1)C2 ZINC000306138356 206205526 /nfs/dbraw/zinc/20/55/26/206205526.db2.gz RVUPTIZMUJYJRE-QHCPKHFHSA-N 2 2 391.519 3.785 40 0 GHABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@@H+](Cc3cnn(C(C)C)c3)C1)C2 ZINC000306138356 206205531 /nfs/dbraw/zinc/20/55/31/206205531.db2.gz RVUPTIZMUJYJRE-QHCPKHFHSA-N 2 2 391.519 3.785 40 0 GHABLP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4OC)C3)C2)c1 ZINC000096215589 570219372 /nfs/dbraw/zinc/21/93/72/570219372.db2.gz UHLXVUUQIDOCCO-HSZRJFAPSA-N 2 2 381.520 3.587 40 0 GHABLP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4OC)C3)C2)c1 ZINC000096215589 570219377 /nfs/dbraw/zinc/21/93/77/570219377.db2.gz UHLXVUUQIDOCCO-HSZRJFAPSA-N 2 2 381.520 3.587 40 0 GHABLP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccnc4OC)C3)C2)c1 ZINC000096215589 570219379 /nfs/dbraw/zinc/21/93/79/570219379.db2.gz UHLXVUUQIDOCCO-HSZRJFAPSA-N 2 2 381.520 3.587 40 0 GHABLP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccnc4OC)C3)C2)c1 ZINC000096215589 570219383 /nfs/dbraw/zinc/21/93/83/570219383.db2.gz UHLXVUUQIDOCCO-HSZRJFAPSA-N 2 2 381.520 3.587 40 0 GHABLP CCCOc1ccccc1C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019525169 570996939 /nfs/dbraw/zinc/99/69/39/570996939.db2.gz UONNCGXVIHAYIO-NRFANRHFSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019525169 570996940 /nfs/dbraw/zinc/99/69/40/570996940.db2.gz UONNCGXVIHAYIO-NRFANRHFSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019525169 570996942 /nfs/dbraw/zinc/99/69/42/570996942.db2.gz UONNCGXVIHAYIO-NRFANRHFSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019525169 570996944 /nfs/dbraw/zinc/99/69/44/570996944.db2.gz UONNCGXVIHAYIO-NRFANRHFSA-N 2 2 380.536 3.981 40 0 GHABLP CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c2)CC1 ZINC000019698127 856423293 /nfs/dbraw/zinc/42/32/93/856423293.db2.gz BKKUNJJSOZZAOM-QHCPKHFHSA-N 2 2 396.510 3.535 40 0 GHABLP CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)c2)CC1 ZINC000019698127 856423297 /nfs/dbraw/zinc/42/32/97/856423297.db2.gz BKKUNJJSOZZAOM-QHCPKHFHSA-N 2 2 396.510 3.535 40 0 GHABLP COc1ccc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1CO ZINC000036740555 205020989 /nfs/dbraw/zinc/02/09/89/205020989.db2.gz WGDKLXHDXBVPAI-UHFFFAOYSA-N 2 2 397.563 3.894 40 0 GHABLP COc1ccc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1CO ZINC000036740555 205020994 /nfs/dbraw/zinc/02/09/94/205020994.db2.gz WGDKLXHDXBVPAI-UHFFFAOYSA-N 2 2 397.563 3.894 40 0 GHABLP CNc1ncc(C[N@H+](Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740466 205022354 /nfs/dbraw/zinc/02/23/54/205022354.db2.gz VUDAHSSSTCCGDF-UHFFFAOYSA-N 2 2 385.531 3.969 40 0 GHABLP CNc1ncc(C[N@@H+](Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740466 205022357 /nfs/dbraw/zinc/02/23/57/205022357.db2.gz VUDAHSSSTCCGDF-UHFFFAOYSA-N 2 2 385.531 3.969 40 0 GHABLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000257253748 206167709 /nfs/dbraw/zinc/16/77/09/206167709.db2.gz KACXOZWUXODWRS-WOJBJXKFSA-N 2 2 386.927 3.582 40 0 GHABLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC000257253748 206167711 /nfs/dbraw/zinc/16/77/11/206167711.db2.gz KACXOZWUXODWRS-WOJBJXKFSA-N 2 2 386.927 3.582 40 0 GHABLP Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000219867178 136204414 /nfs/dbraw/zinc/20/44/14/136204414.db2.gz FKHNHXWWRPPMAF-UHFFFAOYSA-N 2 2 392.547 3.602 40 0 GHABLP Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cc1F ZINC000328983742 570210857 /nfs/dbraw/zinc/21/08/57/570210857.db2.gz HJWLUTLATPRLTJ-UHFFFAOYSA-N 2 2 379.483 3.542 40 0 GHABLP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019590309 571017508 /nfs/dbraw/zinc/01/75/08/571017508.db2.gz DOSUACGESOKBGZ-OEAKIKGJSA-N 2 2 378.520 3.714 40 0 GHABLP COc1ccccc1/C=C/C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019590309 571017509 /nfs/dbraw/zinc/01/75/09/571017509.db2.gz DOSUACGESOKBGZ-OEAKIKGJSA-N 2 2 378.520 3.714 40 0 GHABLP COc1ccccc1/C=C/C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019590309 571017510 /nfs/dbraw/zinc/01/75/10/571017510.db2.gz DOSUACGESOKBGZ-OEAKIKGJSA-N 2 2 378.520 3.714 40 0 GHABLP COc1ccccc1/C=C/C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019590309 571017512 /nfs/dbraw/zinc/01/75/12/571017512.db2.gz DOSUACGESOKBGZ-OEAKIKGJSA-N 2 2 378.520 3.714 40 0 GHABLP CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c2)CC1 ZINC000019698128 856423915 /nfs/dbraw/zinc/42/39/15/856423915.db2.gz BKKUNJJSOZZAOM-HSZRJFAPSA-N 2 2 396.510 3.535 40 0 GHABLP CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)c2)CC1 ZINC000019698128 856423920 /nfs/dbraw/zinc/42/39/20/856423920.db2.gz BKKUNJJSOZZAOM-HSZRJFAPSA-N 2 2 396.510 3.535 40 0 GHABLP Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329064687 203772319 /nfs/dbraw/zinc/77/23/19/203772319.db2.gz XLSLTKGCVXTBBX-UHFFFAOYSA-N 2 2 393.457 3.632 40 0 GHABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@H+](Cc3scnc3C)C1)C2 ZINC000306124387 206196937 /nfs/dbraw/zinc/19/69/37/206196937.db2.gz BOFBTERMWXMKJC-NRFANRHFSA-N 2 2 380.517 3.772 40 0 GHABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@@H+](Cc3scnc3C)C1)C2 ZINC000306124387 206196941 /nfs/dbraw/zinc/19/69/41/206196941.db2.gz BOFBTERMWXMKJC-NRFANRHFSA-N 2 2 380.517 3.772 40 0 GHABLP CC(C)C[NH+]1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225473770 206051620 /nfs/dbraw/zinc/05/16/20/206051620.db2.gz LOEHAOBTAZOIMM-UHFFFAOYSA-N 2 2 385.577 3.641 40 0 biogenic,in-vitro GHABLP CC(C)C[NH+]1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225473770 206051625 /nfs/dbraw/zinc/05/16/25/206051625.db2.gz LOEHAOBTAZOIMM-UHFFFAOYSA-N 2 2 385.577 3.641 40 0 biogenic,in-vitro GHABLP Cc1cc(N2CCO[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)nc(C)[nH+]1 ZINC000257299686 206174195 /nfs/dbraw/zinc/17/41/95/206174195.db2.gz RRBRIGLGSWQNNT-LJQANCHMSA-N 2 2 376.464 3.513 40 0 GHABLP Clc1cccc(N2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000002022098 570272349 /nfs/dbraw/zinc/27/23/49/570272349.db2.gz KWYQGFAGMNSBQW-UHFFFAOYSA-N 2 2 398.982 3.674 40 0 GHABLP Cc1cc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019698042 860324580 /nfs/dbraw/zinc/32/45/80/860324580.db2.gz PRJYUDMVAQQUMQ-QHCPKHFHSA-N 3 2 387.531 3.685 40 0 GHABLP COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH+](Cc4c[nH+]c[nH]4)CC3)CO[C@H]21 ZINC000257234954 206164474 /nfs/dbraw/zinc/16/44/74/206164474.db2.gz GVTUOPJHNZCOOZ-PZJWPPBQSA-N 2 2 397.519 3.949 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccccc2)[nH+]1 ZINC000328996669 570211178 /nfs/dbraw/zinc/21/11/78/570211178.db2.gz JLFQCYWCVWHKAK-UHFFFAOYSA-N 2 2 399.901 3.887 40 0 GHABLP CCc1cc(=O)n2[nH]c([C@H]3CC[N@H+](CC(C)(C)C[NH+]4CCC(C)CC4)C3)cc2n1 ZINC000100727503 570275402 /nfs/dbraw/zinc/27/54/02/570275402.db2.gz IMRWSKUHFQJPNZ-SFHVURJKSA-N 2 2 399.583 3.545 40 0 GHABLP CCc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](CC(C)(C)C[NH+]4CCC(C)CC4)C3)cc2n1 ZINC000100727503 570275405 /nfs/dbraw/zinc/27/54/05/570275405.db2.gz IMRWSKUHFQJPNZ-SFHVURJKSA-N 2 2 399.583 3.545 40 0 GHABLP Fc1cc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000228922593 570951495 /nfs/dbraw/zinc/95/14/95/570951495.db2.gz LCRHEOUXEICWNF-UHFFFAOYSA-N 2 2 394.376 3.521 40 0 GHABLP COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc(OC)c1OC ZINC000012252315 204387859 /nfs/dbraw/zinc/38/78/59/204387859.db2.gz JVIBUCSPUGWKAZ-QIDMFYOTSA-N 2 2 388.552 3.799 40 0 GHABLP COc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc(OC)c1OC ZINC000012252315 204387863 /nfs/dbraw/zinc/38/78/63/204387863.db2.gz JVIBUCSPUGWKAZ-QIDMFYOTSA-N 2 2 388.552 3.799 40 0 GHABLP CCN(CC)C(=O)C[NH+]1CCC(c2ccc(Nc3cccc(C)[nH+]3)cn2)CC1 ZINC000072374168 205338021 /nfs/dbraw/zinc/33/80/21/205338021.db2.gz USOUUKWNVGOAFI-UHFFFAOYSA-N 2 2 381.524 3.576 40 0 GHABLP C[C@H]1CCCN(c2ncc(-c3c[nH+]cn3Cc3ccccc3C[NH+](C)C)cn2)C1 ZINC000072391890 136169169 /nfs/dbraw/zinc/16/91/69/136169169.db2.gz FJYHZKOBKYUKSF-SFHVURJKSA-N 2 2 390.535 3.686 40 0 GHABLP Cc1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](c2ccccc2)n2cc[nH+]c2C)c1 ZINC000019718852 570210188 /nfs/dbraw/zinc/21/01/88/570210188.db2.gz WXDHBVGQUCTDKZ-JOCHJYFZSA-N 2 2 385.471 3.973 40 0 GHABLP Cc1ccc(N2CC[NH+](CCC[NH+]3CCN(c4ccccc4C)CC3)CC2)cc1 ZINC000002022100 570272455 /nfs/dbraw/zinc/27/24/55/570272455.db2.gz AKNLXGXCSKQZRS-UHFFFAOYSA-N 2 2 392.591 3.638 40 0 GHABLP CCOc1c(Br)cc(Br)cc1C[NH2+]CCC[NH+](C)C ZINC000008253307 570765877 /nfs/dbraw/zinc/76/58/77/570765877.db2.gz KGBXJXFEEVGOCW-UHFFFAOYSA-N 2 2 394.151 3.652 40 0 GHABLP Cc1csc2c(C3CCN(C(=O)CCCn4cc[nH+]c4C)CC3)[nH+]c(C)n12 ZINC000019240545 570969244 /nfs/dbraw/zinc/96/92/44/570969244.db2.gz STZFBPULKHDQIY-UHFFFAOYSA-N 2 2 385.537 3.704 40 0 GHABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccnc(N2CCCC2)n1 ZINC000019348703 570978772 /nfs/dbraw/zinc/97/87/72/570978772.db2.gz PUWKBDNZGCXJQY-UHFFFAOYSA-N 2 2 394.498 3.505 40 0 GHABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnc(N2CCCC2)n1 ZINC000019348703 570978774 /nfs/dbraw/zinc/97/87/74/570978774.db2.gz PUWKBDNZGCXJQY-UHFFFAOYSA-N 2 2 394.498 3.505 40 0 GHABLP COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c(C)c1C ZINC000019577390 571012299 /nfs/dbraw/zinc/01/22/99/571012299.db2.gz KZBWMDKNYLFCGP-NRFANRHFSA-N 2 2 380.536 3.817 40 0 GHABLP COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c(C)c1C ZINC000019577390 571012303 /nfs/dbraw/zinc/01/23/03/571012303.db2.gz KZBWMDKNYLFCGP-NRFANRHFSA-N 2 2 380.536 3.817 40 0 GHABLP COc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c(C)c1C ZINC000019577390 571012306 /nfs/dbraw/zinc/01/23/06/571012306.db2.gz KZBWMDKNYLFCGP-NRFANRHFSA-N 2 2 380.536 3.817 40 0 GHABLP COc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c(C)c1C ZINC000019577390 571012308 /nfs/dbraw/zinc/01/23/08/571012308.db2.gz KZBWMDKNYLFCGP-NRFANRHFSA-N 2 2 380.536 3.817 40 0 GHABLP CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CCC(Cn2cc[nH+]c2C)CC1 ZINC000019718449 571041286 /nfs/dbraw/zinc/04/12/86/571041286.db2.gz RZDWVXOGOHZJHF-INIZCTEOSA-N 2 2 379.508 3.603 40 0 GHABLP CCN(CC)C(=O)C[NH+]1CCC(c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)CC1 ZINC000257298151 206175648 /nfs/dbraw/zinc/17/56/48/206175648.db2.gz RKKLVDHWSDVBKG-UHFFFAOYSA-N 3 2 395.551 3.885 40 0 GHABLP CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020110296 570240727 /nfs/dbraw/zinc/24/07/27/570240727.db2.gz MBRUZFDXYDJIHL-UHFFFAOYSA-N 2 2 381.520 3.613 40 0 GHABLP Cc1cnc2[nH]c(-c3cccs3)c(C[NH+]3CCC([NH+]4CCOCC4)CC3)c2c1 ZINC000019124955 570957864 /nfs/dbraw/zinc/95/78/64/570957864.db2.gz KLCBQINPOKJCHO-UHFFFAOYSA-N 2 2 396.560 3.896 40 0 GHABLP COc1ccc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306134058 206202355 /nfs/dbraw/zinc/20/23/55/206202355.db2.gz NCSUQYUOSZPOIV-UXHICEINSA-N 2 2 389.499 3.872 40 0 GHABLP COc1ccc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306134058 206202358 /nfs/dbraw/zinc/20/23/58/206202358.db2.gz NCSUQYUOSZPOIV-UXHICEINSA-N 2 2 389.499 3.872 40 0 GHABLP CCn1c2ccc(-c3c[nH+]cn3CC[N@H+](C)C3CCCC3)cc2n(CC)c1=O ZINC000019719646 570210542 /nfs/dbraw/zinc/21/05/42/570210542.db2.gz DRMKEEZPBFHOOY-UHFFFAOYSA-N 2 2 381.524 3.581 40 0 GHABLP CCn1c2ccc(-c3c[nH+]cn3CC[N@@H+](C)C3CCCC3)cc2n(CC)c1=O ZINC000019719646 570210544 /nfs/dbraw/zinc/21/05/44/570210544.db2.gz DRMKEEZPBFHOOY-UHFFFAOYSA-N 2 2 381.524 3.581 40 0 GHABLP c1ccc(C[NH+]2C[C@H]3C[NH+](C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cc1 ZINC000096245633 570224149 /nfs/dbraw/zinc/22/41/49/570224149.db2.gz HAGHCXQFZKADLR-ZEQRLZLVSA-N 3 2 375.560 3.715 40 0 GHABLP Cc1ccc(C)n1-n1c(CN2CCCC[C@H]2C)nnc1C[N@@H+]1CCCC[C@H]1C ZINC000260572050 570920037 /nfs/dbraw/zinc/92/00/37/570920037.db2.gz GOIHVKYYGGDWPC-QZTJIDSGSA-N 2 2 384.572 3.757 40 0 GHABLP Cc1ccc(C)n1-n1c(CN2CCCC[C@H]2C)nnc1C[N@H+]1CCCC[C@H]1C ZINC000260572050 570920040 /nfs/dbraw/zinc/92/00/40/570920040.db2.gz GOIHVKYYGGDWPC-QZTJIDSGSA-N 2 2 384.572 3.757 40 0 GHABLP Cc1ccc(C)n1-n1c(C[NH+]2CCCC[C@H]2C)nnc1C[N@H+]1CCCC[C@H]1C ZINC000260572050 570920042 /nfs/dbraw/zinc/92/00/42/570920042.db2.gz GOIHVKYYGGDWPC-QZTJIDSGSA-N 2 2 384.572 3.757 40 0 GHABLP Cc1ccc(C)n1-n1c(C[NH+]2CCCC[C@H]2C)nnc1C[N@@H+]1CCCC[C@H]1C ZINC000260572050 570920044 /nfs/dbraw/zinc/92/00/44/570920044.db2.gz GOIHVKYYGGDWPC-QZTJIDSGSA-N 2 2 384.572 3.757 40 0 GHABLP Cc1csc2c([C@H]3CCCN(C(=O)CCCn4cc[nH+]c4C)C3)[nH+]c(C)n12 ZINC000019240408 570969106 /nfs/dbraw/zinc/96/91/06/570969106.db2.gz QDKYGXBNIZOMRM-KRWDZBQOSA-N 2 2 385.537 3.704 40 0 GHABLP COc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccc(OC)cc5)c[nH+]c4C[C@@H]3C2)cc1 ZINC000306134060 206203903 /nfs/dbraw/zinc/20/39/03/206203903.db2.gz NCSUQYUOSZPOIV-WOJBJXKFSA-N 2 2 389.499 3.872 40 0 GHABLP COc1ccc(C[N@H+]2C[C@@H]3Cn4c(-c5ccc(OC)cc5)c[nH+]c4C[C@@H]3C2)cc1 ZINC000306134060 206203908 /nfs/dbraw/zinc/20/39/08/206203908.db2.gz NCSUQYUOSZPOIV-WOJBJXKFSA-N 2 2 389.499 3.872 40 0 GHABLP CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)sc1C ZINC000019719820 570210925 /nfs/dbraw/zinc/21/09/25/570210925.db2.gz NGVJKFOLMPYXNY-OAHLLOKOSA-N 2 2 397.548 3.783 40 0 GHABLP CCc1nc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)sc1C ZINC000019719820 570210927 /nfs/dbraw/zinc/21/09/27/570210927.db2.gz NGVJKFOLMPYXNY-OAHLLOKOSA-N 2 2 397.548 3.783 40 0 GHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3cccc(C)c3OC)n(C)n2)CC1 ZINC000100687693 570274924 /nfs/dbraw/zinc/27/49/24/570274924.db2.gz CKNKAPYOBBTTQN-KDURUIRLSA-N 2 2 384.568 3.862 40 0 GHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3cccc(C)c3OC)n(C)n2)CC1 ZINC000100687693 570274927 /nfs/dbraw/zinc/27/49/27/570274927.db2.gz CKNKAPYOBBTTQN-KDURUIRLSA-N 2 2 384.568 3.862 40 0 GHABLP CC(C)Oc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc1 ZINC000019450672 570984881 /nfs/dbraw/zinc/98/48/81/570984881.db2.gz PKAFAMYVKYKKCM-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc1 ZINC000019450672 570984885 /nfs/dbraw/zinc/98/48/85/570984885.db2.gz PKAFAMYVKYKKCM-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019450672 570984888 /nfs/dbraw/zinc/98/48/88/570984888.db2.gz PKAFAMYVKYKKCM-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019450672 570984890 /nfs/dbraw/zinc/98/48/90/570984890.db2.gz PKAFAMYVKYKKCM-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC1CC[NH+]([C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)o2)c2ccccc2)CC1 ZINC000019496808 570990016 /nfs/dbraw/zinc/99/00/16/570990016.db2.gz USVYRBPMRIWRHL-NRFANRHFSA-N 2 2 392.503 3.727 40 0 GHABLP COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c(C)c1C ZINC000019577392 571012382 /nfs/dbraw/zinc/01/23/82/571012382.db2.gz KZBWMDKNYLFCGP-OAQYLSRUSA-N 2 2 380.536 3.817 40 0 GHABLP COc1ccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c(C)c1C ZINC000019577392 571012383 /nfs/dbraw/zinc/01/23/83/571012383.db2.gz KZBWMDKNYLFCGP-OAQYLSRUSA-N 2 2 380.536 3.817 40 0 GHABLP COc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c(C)c1C ZINC000019577392 571012384 /nfs/dbraw/zinc/01/23/84/571012384.db2.gz KZBWMDKNYLFCGP-OAQYLSRUSA-N 2 2 380.536 3.817 40 0 GHABLP COc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c(C)c1C ZINC000019577392 571012385 /nfs/dbraw/zinc/01/23/85/571012385.db2.gz KZBWMDKNYLFCGP-OAQYLSRUSA-N 2 2 380.536 3.817 40 0 GHABLP COc1cc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CC=CCC2)cc2c1OCO2 ZINC000036740231 205021967 /nfs/dbraw/zinc/02/19/67/205021967.db2.gz REUCGMCBZPRPFB-GOSISDBHSA-N 2 2 383.492 3.869 40 0 GHABLP COc1cc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CC=CCC2)cc2c1OCO2 ZINC000036740231 205021971 /nfs/dbraw/zinc/02/19/71/205021971.db2.gz REUCGMCBZPRPFB-GOSISDBHSA-N 2 2 383.492 3.869 40 0 GHABLP Fc1ccc(-c2c[nH+]c3n2C[C@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)C3)cc1 ZINC000306145074 206206870 /nfs/dbraw/zinc/20/68/70/206206870.db2.gz ZWZXMLHSRMZIBS-HSZRJFAPSA-N 2 2 391.446 3.866 40 0 GHABLP Fc1ccc(-c2c[nH+]c3n2C[C@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)C3)cc1 ZINC000306145074 206206872 /nfs/dbraw/zinc/20/68/72/206206872.db2.gz ZWZXMLHSRMZIBS-HSZRJFAPSA-N 2 2 391.446 3.866 40 0 GHABLP CN1CC[N@H+](Cc2cccs2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306130195 206198441 /nfs/dbraw/zinc/19/84/41/206198441.db2.gz IYZVJYSFPXWCKK-OAQYLSRUSA-N 2 2 389.528 3.947 40 0 GHABLP CN1CC[N@@H+](Cc2cccs2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306130195 206198442 /nfs/dbraw/zinc/19/84/42/206198442.db2.gz IYZVJYSFPXWCKK-OAQYLSRUSA-N 2 2 389.528 3.947 40 0 GHABLP CCn1c2ccc(-c3c[nH+]cn3C[C@@H](C)[NH+]3CCCCC3)cc2n(CC)c1=O ZINC000019719631 570210483 /nfs/dbraw/zinc/21/04/83/570210483.db2.gz NDAGXYWUFYUPQN-QGZVFWFLSA-N 2 2 381.524 3.581 40 0 GHABLP c1coc(C[N@@H+]2Cc3ccccc3C3(CC[NH+](CCN4CCCC4)CC3)C2)c1 ZINC000096242486 570222688 /nfs/dbraw/zinc/22/26/88/570222688.db2.gz WOUCIKSATDISDK-UHFFFAOYSA-N 2 2 379.548 3.725 40 0 GHABLP c1coc(C[N@H+]2Cc3ccccc3C3(CC[NH+](CCN4CCCC4)CC3)C2)c1 ZINC000096242486 570222691 /nfs/dbraw/zinc/22/26/91/570222691.db2.gz WOUCIKSATDISDK-UHFFFAOYSA-N 2 2 379.548 3.725 40 0 GHABLP Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)c2)[nH+]1 ZINC000585291312 570259794 /nfs/dbraw/zinc/25/97/94/570259794.db2.gz AYMUNKRAJVCBBY-BQHJZSHBSA-N 3 2 393.535 3.661 40 0 GHABLP c1ccc([C@H]2CC[NH2+][C@@H]3CCCC[N@@H+](Cc4ccnc(N5CCCC5)n4)[C@H]23)cc1 ZINC000019373933 570981615 /nfs/dbraw/zinc/98/16/15/570981615.db2.gz OFCRZRWFCDFJSI-DNVJHFABSA-N 2 2 391.563 3.577 40 0 GHABLP c1ccc([C@H]2CC[NH2+][C@@H]3CCCC[N@H+](Cc4ccnc(N5CCCC5)n4)[C@H]23)cc1 ZINC000019373933 570981616 /nfs/dbraw/zinc/98/16/16/570981616.db2.gz OFCRZRWFCDFJSI-DNVJHFABSA-N 2 2 391.563 3.577 40 0 GHABLP COc1cc(C[N@H+](CCCn2cc[nH+]c2)C[C@H]2CC=CCC2)cc2c1OCO2 ZINC000036740230 205021619 /nfs/dbraw/zinc/02/16/19/205021619.db2.gz REUCGMCBZPRPFB-SFHVURJKSA-N 2 2 383.492 3.869 40 0 GHABLP COc1cc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CC=CCC2)cc2c1OCO2 ZINC000036740230 205021623 /nfs/dbraw/zinc/02/16/23/205021623.db2.gz REUCGMCBZPRPFB-SFHVURJKSA-N 2 2 383.492 3.869 40 0 GHABLP CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329009042 570211873 /nfs/dbraw/zinc/21/18/73/570211873.db2.gz LUZWCUDIDKDMIL-UHFFFAOYSA-N 2 2 393.560 3.817 40 0 GHABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022075069 570321382 /nfs/dbraw/zinc/32/13/82/570321382.db2.gz NUXWDIPHPMNJIV-CQSZACIVSA-N 2 2 383.319 3.632 40 0 GHABLP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019450877 570985708 /nfs/dbraw/zinc/98/57/08/570985708.db2.gz HPEBKWHNULPIBN-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019450877 570985713 /nfs/dbraw/zinc/98/57/13/570985713.db2.gz HPEBKWHNULPIBN-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019450877 570985716 /nfs/dbraw/zinc/98/57/16/570985716.db2.gz HPEBKWHNULPIBN-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019450877 570985719 /nfs/dbraw/zinc/98/57/19/570985719.db2.gz HPEBKWHNULPIBN-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1OC ZINC000019533863 570999656 /nfs/dbraw/zinc/99/96/56/570999656.db2.gz ZLRUIFLWONTSRR-FQEVSTJZSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1OC ZINC000019533863 570999659 /nfs/dbraw/zinc/99/96/59/570999659.db2.gz ZLRUIFLWONTSRR-FQEVSTJZSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1OC ZINC000019533863 570999661 /nfs/dbraw/zinc/99/96/61/570999661.db2.gz ZLRUIFLWONTSRR-FQEVSTJZSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1OC ZINC000019533863 570999664 /nfs/dbraw/zinc/99/96/64/570999664.db2.gz ZLRUIFLWONTSRR-FQEVSTJZSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc1OC ZINC000019533890 570999865 /nfs/dbraw/zinc/99/98/65/570999865.db2.gz RDRCPEMBNXWTQP-HXUWFJFHSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc1OC ZINC000019533890 570999867 /nfs/dbraw/zinc/99/98/67/570999867.db2.gz RDRCPEMBNXWTQP-HXUWFJFHSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1OC ZINC000019533890 570999869 /nfs/dbraw/zinc/99/98/69/570999869.db2.gz RDRCPEMBNXWTQP-HXUWFJFHSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1OC ZINC000019533890 570999871 /nfs/dbraw/zinc/99/98/71/570999871.db2.gz RDRCPEMBNXWTQP-HXUWFJFHSA-N 2 2 396.535 3.599 40 0 GHABLP Cn1cc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c2ccccc21 ZINC000019290456 207113260 /nfs/dbraw/zinc/11/32/60/207113260.db2.gz OKKNLUOFODUWDP-QFIPXVFZSA-N 2 2 375.520 3.683 40 0 GHABLP Cn1cc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c2ccccc21 ZINC000019290456 207113264 /nfs/dbraw/zinc/11/32/64/207113264.db2.gz OKKNLUOFODUWDP-QFIPXVFZSA-N 2 2 375.520 3.683 40 0 GHABLP Cn1cc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c2ccccc21 ZINC000019290456 207113267 /nfs/dbraw/zinc/11/32/67/207113267.db2.gz OKKNLUOFODUWDP-QFIPXVFZSA-N 2 2 375.520 3.683 40 0 GHABLP Cn1cc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c2ccccc21 ZINC000019290456 207113272 /nfs/dbraw/zinc/11/32/72/207113272.db2.gz OKKNLUOFODUWDP-QFIPXVFZSA-N 2 2 375.520 3.683 40 0 GHABLP Cc1nn(C(C)C)c(C)c1C[NH+]1CCN(c2cc(C)[nH+]c([C@@H]3CCC[NH2+]3)c2)CC1 ZINC000019697964 207149426 /nfs/dbraw/zinc/14/94/26/207149426.db2.gz KRDUGMMPSBSUOK-QFIPXVFZSA-N 3 2 396.583 3.531 40 0 GHABLP Cc1cc(Nc2ccccn2)cc([C@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374832 208009954 /nfs/dbraw/zinc/00/99/54/208009954.db2.gz HYUPURVLKCUJLN-IBGZPJMESA-N 2 2 393.535 3.721 40 0 GHABLP Cc1cc(Nc2ccccn2)cc([C@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374832 208009961 /nfs/dbraw/zinc/00/99/61/208009961.db2.gz HYUPURVLKCUJLN-IBGZPJMESA-N 2 2 393.535 3.721 40 0 GHABLP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4OC)C3)C2)c1 ZINC000096215586 208286015 /nfs/dbraw/zinc/28/60/15/208286015.db2.gz UHLXVUUQIDOCCO-QHCPKHFHSA-N 2 2 381.520 3.587 40 0 GHABLP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4OC)C3)C2)c1 ZINC000096215586 208286024 /nfs/dbraw/zinc/28/60/24/208286024.db2.gz UHLXVUUQIDOCCO-QHCPKHFHSA-N 2 2 381.520 3.587 40 0 GHABLP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccnc4OC)C3)C2)c1 ZINC000096215586 208286028 /nfs/dbraw/zinc/28/60/28/208286028.db2.gz UHLXVUUQIDOCCO-QHCPKHFHSA-N 2 2 381.520 3.587 40 0 GHABLP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccnc4OC)C3)C2)c1 ZINC000096215586 208286035 /nfs/dbraw/zinc/28/60/35/208286035.db2.gz UHLXVUUQIDOCCO-QHCPKHFHSA-N 2 2 381.520 3.587 40 0 GHABLP CCc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](CC(C)(C)C[NH+]4CCC(C)CC4)C3)cc2n1 ZINC000100727502 208378077 /nfs/dbraw/zinc/37/80/77/208378077.db2.gz IMRWSKUHFQJPNZ-GOSISDBHSA-N 2 2 399.583 3.545 40 0 GHABLP CCc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](CC(C)(C)C[NH+]4CCC(C)CC4)C3)cc2n1 ZINC000100727502 208378082 /nfs/dbraw/zinc/37/80/82/208378082.db2.gz IMRWSKUHFQJPNZ-GOSISDBHSA-N 2 2 399.583 3.545 40 0 GHABLP CCNc1cc2c(cc1[NH2+]CC)NC1=CC(=[NH+]CC)C(NCC)=C[C@@H]1N2CC ZINC000100643752 535522734 /nfs/dbraw/zinc/52/27/34/535522734.db2.gz QEEUNSVZWHMOFB-NRFANRHFSA-N 2 2 382.556 3.832 40 0 GHABLP Cn1cc[nH+]c1[C@@H](NC(=O)c1ccoc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000019291219 207112443 /nfs/dbraw/zinc/11/24/43/207112443.db2.gz GPXOXFUFCWVVGW-FQEVSTJZSA-N 2 2 396.466 3.658 40 0 GHABLP CCOc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc1OC ZINC000019533889 207129967 /nfs/dbraw/zinc/12/99/67/207129967.db2.gz RDRCPEMBNXWTQP-FQEVSTJZSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc1OC ZINC000019533889 207129972 /nfs/dbraw/zinc/12/99/72/207129972.db2.gz RDRCPEMBNXWTQP-FQEVSTJZSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1OC ZINC000019533889 207129975 /nfs/dbraw/zinc/12/99/75/207129975.db2.gz RDRCPEMBNXWTQP-FQEVSTJZSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1OC ZINC000019533889 207129980 /nfs/dbraw/zinc/12/99/80/207129980.db2.gz RDRCPEMBNXWTQP-FQEVSTJZSA-N 2 2 396.535 3.599 40 0 GHABLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(O)(Cn2cc[nH+]c2C(C)C)CC1 ZINC000019581621 207139483 /nfs/dbraw/zinc/13/94/83/207139483.db2.gz QLPFWEVXUGEJJI-UHFFFAOYSA-N 2 2 394.519 3.506 40 0 GHABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@H+](Cc3cnn(C(C)C)c3)C1)C2 ZINC000306138355 209103846 /nfs/dbraw/zinc/10/38/46/209103846.db2.gz RVUPTIZMUJYJRE-HSZRJFAPSA-N 2 2 391.519 3.785 40 0 GHABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@@H+](Cc3cnn(C(C)C)c3)C1)C2 ZINC000306138355 209103847 /nfs/dbraw/zinc/10/38/47/209103847.db2.gz RVUPTIZMUJYJRE-HSZRJFAPSA-N 2 2 391.519 3.785 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329004414 206240871 /nfs/dbraw/zinc/24/08/71/206240871.db2.gz KSGMRXUPIMCBHC-UHFFFAOYSA-N 2 2 380.323 3.612 40 0 GHABLP Cc1cc(C)n(-c2cccc(C[N@@H+](CCC[NH+](C)C)Cc3ccccn3)c2)n1 ZINC000019574777 207138758 /nfs/dbraw/zinc/13/87/58/207138758.db2.gz KXOOAVPYBRNVRZ-UHFFFAOYSA-N 2 2 377.536 3.838 40 0 GHABLP Cc1cc(C)n(-c2cccc(C[N@H+](CCC[NH+](C)C)Cc3ccccn3)c2)n1 ZINC000019574777 207138762 /nfs/dbraw/zinc/13/87/62/207138762.db2.gz KXOOAVPYBRNVRZ-UHFFFAOYSA-N 2 2 377.536 3.838 40 0 GHABLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(Nc2ncc(C)s2)cc(C)[nH+]1 ZINC000072372478 208005406 /nfs/dbraw/zinc/00/54/06/208005406.db2.gz JXKFMORYZAPRSB-GOSISDBHSA-N 2 2 387.553 3.904 40 0 GHABLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cc(Nc2ncc(C)s2)cc(C)[nH+]1 ZINC000072372478 208005411 /nfs/dbraw/zinc/00/54/11/208005411.db2.gz JXKFMORYZAPRSB-GOSISDBHSA-N 2 2 387.553 3.904 40 0 GHABLP Cc1nc2c(n1CC1CC1)C[N@H+](Cc1ccc(F)cc1)CC21CC[NH+](C)CC1 ZINC000306138319 209104048 /nfs/dbraw/zinc/10/40/48/209104048.db2.gz RUUHSYTYGXAIRR-UHFFFAOYSA-N 2 2 382.527 3.720 40 0 GHABLP Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1ccc(F)cc1)CC21CC[NH+](C)CC1 ZINC000306138319 209104045 /nfs/dbraw/zinc/10/40/45/209104045.db2.gz RUUHSYTYGXAIRR-UHFFFAOYSA-N 2 2 382.527 3.720 40 0 GHABLP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1 ZINC000019450650 207121674 /nfs/dbraw/zinc/12/16/74/207121674.db2.gz VDTIVCSCWFHBPE-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1 ZINC000019450650 207121677 /nfs/dbraw/zinc/12/16/77/207121677.db2.gz VDTIVCSCWFHBPE-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019450650 207121682 /nfs/dbraw/zinc/12/16/82/207121682.db2.gz VDTIVCSCWFHBPE-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019450650 207121687 /nfs/dbraw/zinc/12/16/87/207121687.db2.gz VDTIVCSCWFHBPE-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CN1CC[N@H+](Cc2cccs2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306130194 209099436 /nfs/dbraw/zinc/09/94/36/209099436.db2.gz IYZVJYSFPXWCKK-NRFANRHFSA-N 2 2 389.528 3.947 40 0 GHABLP CN1CC[N@@H+](Cc2cccs2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306130194 209099439 /nfs/dbraw/zinc/09/94/39/209099439.db2.gz IYZVJYSFPXWCKK-NRFANRHFSA-N 2 2 389.528 3.947 40 0 GHABLP CCN(CC)C(=O)C[NH+]1CCC(c2ccc(Nc3[nH+]cccc3C)cn2)CC1 ZINC000072374169 208007594 /nfs/dbraw/zinc/00/75/94/208007594.db2.gz FZRQRXPUKNABSS-UHFFFAOYSA-N 2 2 381.524 3.576 40 0 GHABLP Cn1ccnc1C[N@@H+]1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242448 208292226 /nfs/dbraw/zinc/29/22/26/208292226.db2.gz VJVNORHSDJYATF-UHFFFAOYSA-N 2 2 378.564 3.960 40 0 GHABLP Cn1ccnc1C[N@H+]1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242448 208292233 /nfs/dbraw/zinc/29/22/33/208292233.db2.gz VJVNORHSDJYATF-UHFFFAOYSA-N 2 2 378.564 3.960 40 0 GHABLP c1ccc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCCC3)[nH+]2)cc1 ZINC000329009645 570211744 /nfs/dbraw/zinc/21/17/44/570211744.db2.gz LWFHWCKUMOTIKQ-UHFFFAOYSA-N 2 2 379.552 3.534 40 0 GHABLP CNc1ncc(C[N@H+](Cc2ccc(OC)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461005 207123316 /nfs/dbraw/zinc/12/33/16/207123316.db2.gz QOVPTJBLVHPOBN-UHFFFAOYSA-N 2 2 397.567 3.838 40 0 GHABLP CNc1ncc(C[N@@H+](Cc2ccc(OC)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461005 207123320 /nfs/dbraw/zinc/12/33/20/207123320.db2.gz QOVPTJBLVHPOBN-UHFFFAOYSA-N 2 2 397.567 3.838 40 0 GHABLP CCn1c(C)[nH+]c2cc(NC(=O)C[C@H](c3ccccc3)[NH+]3CCOCC3)ccc21 ZINC000019656394 207144946 /nfs/dbraw/zinc/14/49/46/207144946.db2.gz PAEYYUUVZSDBPI-JOCHJYFZSA-N 2 2 392.503 3.767 40 0 GHABLP Cc1cc(Nc2ccccn2)cc([C@@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374831 208009650 /nfs/dbraw/zinc/00/96/50/208009650.db2.gz HYUPURVLKCUJLN-LJQANCHMSA-N 2 2 393.535 3.721 40 0 GHABLP Cc1cc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000072374831 208009656 /nfs/dbraw/zinc/00/96/56/208009656.db2.gz HYUPURVLKCUJLN-LJQANCHMSA-N 2 2 393.535 3.721 40 0 GHABLP COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1Cn1cc[nH+]c1 ZINC000012117049 570611545 /nfs/dbraw/zinc/61/15/45/570611545.db2.gz BTVFXQINXVYZRN-UHFFFAOYSA-N 2 2 395.478 3.563 40 0 GHABLP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019450879 207122471 /nfs/dbraw/zinc/12/24/71/207122471.db2.gz HPEBKWHNULPIBN-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c1 ZINC000019450879 207122475 /nfs/dbraw/zinc/12/24/75/207122475.db2.gz HPEBKWHNULPIBN-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019450879 207122479 /nfs/dbraw/zinc/12/24/79/207122479.db2.gz HPEBKWHNULPIBN-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019450879 207122481 /nfs/dbraw/zinc/12/24/81/207122481.db2.gz HPEBKWHNULPIBN-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP OC1(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC[NH+](C2CCCC2)CC1 ZINC000225473549 560043214 /nfs/dbraw/zinc/04/32/14/560043214.db2.gz HKYKGMRAGINNBY-UHFFFAOYSA-N 2 2 397.588 3.927 40 0 biogenic,in-vitro GHABLP OC1(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC[NH+](C2CCCC2)CC1 ZINC000225473549 560043216 /nfs/dbraw/zinc/04/32/16/560043216.db2.gz HKYKGMRAGINNBY-UHFFFAOYSA-N 2 2 397.588 3.927 40 0 biogenic,in-vitro GHABLP Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000044932853 570643797 /nfs/dbraw/zinc/64/37/97/570643797.db2.gz IIGGAKSIKVRAHF-UHFFFAOYSA-N 2 2 385.471 3.664 40 0 GHABLP c1ccc(C[NH+]2C[C@@H]3C[NH+](C4CC[NH+](Cc5ccccc5)CC4)C[C@H]3C2)cc1 ZINC000096245632 208296170 /nfs/dbraw/zinc/29/61/70/208296170.db2.gz HAGHCXQFZKADLR-DNQXCXABSA-N 3 2 375.560 3.715 40 0 GHABLP COc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(F)cc2)cc2c1OCO2 ZINC000043277681 570626226 /nfs/dbraw/zinc/62/62/26/570626226.db2.gz RBEGOOAJBYJXMP-UHFFFAOYSA-N 2 2 397.450 3.852 40 0 GHABLP COc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(F)cc2)cc2c1OCO2 ZINC000043277681 570626227 /nfs/dbraw/zinc/62/62/27/570626227.db2.gz RBEGOOAJBYJXMP-UHFFFAOYSA-N 2 2 397.450 3.852 40 0 GHABLP CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)c1 ZINC000328960017 571047311 /nfs/dbraw/zinc/04/73/11/571047311.db2.gz AWGMGBVBSCMPPY-UHFFFAOYSA-N 2 2 393.560 3.817 40 0 GHABLP CC(=O)N[C@@H]1C[N@@H+](C)C2(C1)CC[NH+](Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC000019704237 856425168 /nfs/dbraw/zinc/42/51/68/856425168.db2.gz ALBBLFQEVLPMSI-QHCPKHFHSA-N 2 2 395.522 3.668 40 0 GHABLP CC(=O)N[C@@H]1C[N@H+](C)C2(C1)CC[NH+](Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC000019704237 856425173 /nfs/dbraw/zinc/42/51/73/856425173.db2.gz ALBBLFQEVLPMSI-QHCPKHFHSA-N 2 2 395.522 3.668 40 0 GHABLP CCCCc1[nH]c(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)c[nH+]1 ZINC000257278942 209067341 /nfs/dbraw/zinc/06/73/41/209067341.db2.gz OEIKAGSCXXJVDR-YPAWHYETSA-N 2 2 380.536 3.589 40 0 GHABLP CCCCc1[nH]c(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)c[nH+]1 ZINC000257278942 209067343 /nfs/dbraw/zinc/06/73/43/209067343.db2.gz OEIKAGSCXXJVDR-YPAWHYETSA-N 2 2 380.536 3.589 40 0 GHABLP Cc1c(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329068572 570216419 /nfs/dbraw/zinc/21/64/19/570216419.db2.gz YQLYXYRMJQXOAT-UHFFFAOYSA-N 2 2 393.457 3.632 40 0 GHABLP Cc1cc2[nH]c(C3CC[NH+](CC(=O)NCc4ccccc4)CC3)[nH+]c2cc1C ZINC000035292233 570461491 /nfs/dbraw/zinc/46/14/91/570461491.db2.gz MQXKGHNXVPQWKS-UHFFFAOYSA-N 2 2 376.504 3.676 40 0 GHABLP COc1cc(C)c(C[N@@H+]2CC[C@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)c(C)c1C ZINC000257239567 570768010 /nfs/dbraw/zinc/76/80/10/570768010.db2.gz HPWWFUUTAKZULJ-SFHVURJKSA-N 2 2 391.519 3.977 40 0 GHABLP COc1cc(C)c(C[N@H+]2CC[C@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)c(C)c1C ZINC000257239567 570768012 /nfs/dbraw/zinc/76/80/12/570768012.db2.gz HPWWFUUTAKZULJ-SFHVURJKSA-N 2 2 391.519 3.977 40 0 GHABLP CC1CC[NH+]([C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)o2)c2ccccc2)CC1 ZINC000019496809 207124598 /nfs/dbraw/zinc/12/45/98/207124598.db2.gz USVYRBPMRIWRHL-OAQYLSRUSA-N 2 2 392.503 3.727 40 0 GHABLP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1 ZINC000019450652 207121437 /nfs/dbraw/zinc/12/14/37/207121437.db2.gz VDTIVCSCWFHBPE-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1 ZINC000019450652 207121440 /nfs/dbraw/zinc/12/14/40/207121440.db2.gz VDTIVCSCWFHBPE-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019450652 207121446 /nfs/dbraw/zinc/12/14/46/207121446.db2.gz VDTIVCSCWFHBPE-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019450652 207121451 /nfs/dbraw/zinc/12/14/51/207121451.db2.gz VDTIVCSCWFHBPE-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP Cc1[nH+]c2ccccc2n1Cc1cc(NCCOc2ccc(C)cc2)nc(N)[nH+]1 ZINC000019655576 207145625 /nfs/dbraw/zinc/14/56/25/207145625.db2.gz CPTCOGZOAYZGEJ-UHFFFAOYSA-N 2 2 388.475 3.565 40 0 GHABLP CC[NH+](CC)CC(C)(C)C[NH2+][C@H](C)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217944 208373976 /nfs/dbraw/zinc/37/39/76/208373976.db2.gz FBVVUPWHNBHARJ-OAHLLOKOSA-N 2 2 375.561 3.751 40 0 GHABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022075071 570321176 /nfs/dbraw/zinc/32/11/76/570321176.db2.gz NUXWDIPHPMNJIV-AWEZNQCLSA-N 2 2 383.319 3.632 40 0 GHABLP CC(C)Oc1cccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019450893 207122759 /nfs/dbraw/zinc/12/27/59/207122759.db2.gz ZRALYEXEBQLCPX-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019450893 207122763 /nfs/dbraw/zinc/12/27/63/207122763.db2.gz ZRALYEXEBQLCPX-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019450893 207122766 /nfs/dbraw/zinc/12/27/66/207122766.db2.gz ZRALYEXEBQLCPX-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019450893 207122769 /nfs/dbraw/zinc/12/27/69/207122769.db2.gz ZRALYEXEBQLCPX-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019590308 207140740 /nfs/dbraw/zinc/14/07/40/207140740.db2.gz DOSUACGESOKBGZ-WFNSPDMASA-N 2 2 378.520 3.714 40 0 GHABLP COc1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019590308 207140744 /nfs/dbraw/zinc/14/07/44/207140744.db2.gz DOSUACGESOKBGZ-WFNSPDMASA-N 2 2 378.520 3.714 40 0 GHABLP COc1ccccc1/C=C/C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019590308 207140749 /nfs/dbraw/zinc/14/07/49/207140749.db2.gz DOSUACGESOKBGZ-WFNSPDMASA-N 2 2 378.520 3.714 40 0 GHABLP COc1ccccc1/C=C/C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019590308 207140753 /nfs/dbraw/zinc/14/07/53/207140753.db2.gz DOSUACGESOKBGZ-WFNSPDMASA-N 2 2 378.520 3.714 40 0 GHABLP Cc1cc(O[C@@H]2C[C@@H]([NH3+])[C@H]([N@H+](C)CCc3ccccc3)[C@H]2O)cc(C(C)C)c1 ZINC000257291645 209068348 /nfs/dbraw/zinc/06/83/48/209068348.db2.gz QHYIOGBAJCMDPR-LWSSLDFYSA-N 2 2 382.548 3.501 40 0 GHABLP Cc1cc(O[C@@H]2C[C@@H]([NH3+])[C@H]([N@@H+](C)CCc3ccccc3)[C@H]2O)cc(C(C)C)c1 ZINC000257291645 209068352 /nfs/dbraw/zinc/06/83/52/209068352.db2.gz QHYIOGBAJCMDPR-LWSSLDFYSA-N 2 2 382.548 3.501 40 0 GHABLP C[NH+](C)CCCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329019890 570213053 /nfs/dbraw/zinc/21/30/53/570213053.db2.gz NYVCKXIVAGROIE-UHFFFAOYSA-N 2 2 395.938 3.617 40 0 GHABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1nc2ccccc2[nH]1 ZINC000043277817 570627072 /nfs/dbraw/zinc/62/70/72/570627072.db2.gz OIDYRAQHXWAUME-UHFFFAOYSA-N 2 2 375.476 3.861 40 0 GHABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2ccccc2[nH]1 ZINC000043277817 570627075 /nfs/dbraw/zinc/62/70/75/570627075.db2.gz OIDYRAQHXWAUME-UHFFFAOYSA-N 2 2 375.476 3.861 40 0 GHABLP COc1cc(C)c(C[N@@H+]2CC[C@@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)c(C)c1C ZINC000257239566 570767916 /nfs/dbraw/zinc/76/79/16/570767916.db2.gz HPWWFUUTAKZULJ-GOSISDBHSA-N 2 2 391.519 3.977 40 0 GHABLP COc1cc(C)c(C[N@H+]2CC[C@@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)c(C)c1C ZINC000257239566 570767920 /nfs/dbraw/zinc/76/79/20/570767920.db2.gz HPWWFUUTAKZULJ-GOSISDBHSA-N 2 2 391.519 3.977 40 0 GHABLP COc1ccc2c(c1)OCC(c1c[nH+]cn1Cc1ccccc1C[NH+](C)C)=C2 ZINC000019719409 207155833 /nfs/dbraw/zinc/15/58/33/207155833.db2.gz HAHZNNGDSJGUTD-UHFFFAOYSA-N 2 2 375.472 3.935 40 0 GHABLP Cc1[nH+]c(-c2cc(C(=O)N3CCC([NH+](C)C)CC3)c3ccccn23)cn1C(C)C ZINC000096154945 208279373 /nfs/dbraw/zinc/27/93/73/208279373.db2.gz UODWMMHJOKMGBT-UHFFFAOYSA-N 2 2 393.535 3.858 40 0 GHABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc(N3CCCCC3)nc2)o1 ZINC000043277758 570626527 /nfs/dbraw/zinc/62/65/27/570626527.db2.gz HIVKWKUJURZWDN-UHFFFAOYSA-N 2 2 394.523 3.657 40 0 GHABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc(N3CCCCC3)nc2)o1 ZINC000043277758 570626532 /nfs/dbraw/zinc/62/65/32/570626532.db2.gz HIVKWKUJURZWDN-UHFFFAOYSA-N 2 2 394.523 3.657 40 0 GHABLP CCCOc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCCC[NH+]3C)ncc2C1 ZINC000019525170 207128749 /nfs/dbraw/zinc/12/87/49/207128749.db2.gz AOLYXUGVFWVZPY-NRFANRHFSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCCC[NH+]3C)ncc2C1 ZINC000019525170 207128752 /nfs/dbraw/zinc/12/87/52/207128752.db2.gz AOLYXUGVFWVZPY-NRFANRHFSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[NH+]1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019525170 207128753 /nfs/dbraw/zinc/12/87/53/207128753.db2.gz AOLYXUGVFWVZPY-NRFANRHFSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[NH+]1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019525170 207128756 /nfs/dbraw/zinc/12/87/56/207128756.db2.gz AOLYXUGVFWVZPY-NRFANRHFSA-N 2 2 380.536 3.981 40 0 GHABLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353265 208000674 /nfs/dbraw/zinc/00/06/74/208000674.db2.gz NNIDNCGOWCWSTK-GOSISDBHSA-N 2 2 381.524 3.576 40 0 GHABLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353265 208000680 /nfs/dbraw/zinc/00/06/80/208000680.db2.gz NNIDNCGOWCWSTK-GOSISDBHSA-N 2 2 381.524 3.576 40 0 GHABLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353262 570881483 /nfs/dbraw/zinc/88/14/83/570881483.db2.gz VBPUHLNUKFNTRN-SFHVURJKSA-N 2 2 381.524 3.576 40 0 GHABLP CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353262 570881484 /nfs/dbraw/zinc/88/14/84/570881484.db2.gz VBPUHLNUKFNTRN-SFHVURJKSA-N 2 2 381.524 3.576 40 0 GHABLP CC1CCN(c2ncc(C[N@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cn2)CC1 ZINC000019715734 207154098 /nfs/dbraw/zinc/15/40/98/207154098.db2.gz MEROWXKXGMPYNS-UHFFFAOYSA-N 2 2 393.579 3.809 40 0 GHABLP CC1CCN(c2ncc(C[N@@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cn2)CC1 ZINC000019715734 207154103 /nfs/dbraw/zinc/15/41/03/207154103.db2.gz MEROWXKXGMPYNS-UHFFFAOYSA-N 2 2 393.579 3.809 40 0 GHABLP COc1cc2c(cc1-c1c[nH+]cn1Cc1ccccc1C[NH+](C)C)OCCCO2 ZINC000019720013 207155542 /nfs/dbraw/zinc/15/55/42/207155542.db2.gz MTTZROIKJBCCEU-UHFFFAOYSA-N 2 2 393.487 3.830 40 0 GHABLP Cn1cc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c2ccccc21 ZINC000019290454 207112669 /nfs/dbraw/zinc/11/26/69/207112669.db2.gz OKKNLUOFODUWDP-JOCHJYFZSA-N 2 2 375.520 3.683 40 0 GHABLP Cn1cc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c2ccccc21 ZINC000019290454 207112674 /nfs/dbraw/zinc/11/26/74/207112674.db2.gz OKKNLUOFODUWDP-JOCHJYFZSA-N 2 2 375.520 3.683 40 0 GHABLP Cn1cc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c2ccccc21 ZINC000019290454 207112679 /nfs/dbraw/zinc/11/26/79/207112679.db2.gz OKKNLUOFODUWDP-JOCHJYFZSA-N 2 2 375.520 3.683 40 0 GHABLP Cn1cc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c2ccccc21 ZINC000019290454 207112682 /nfs/dbraw/zinc/11/26/82/207112682.db2.gz OKKNLUOFODUWDP-JOCHJYFZSA-N 2 2 375.520 3.683 40 0 GHABLP O=C(CCn1cc[nH+]c1-c1ccccc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019374401 207119594 /nfs/dbraw/zinc/11/95/94/207119594.db2.gz MBWILLBINFCWSR-OAQYLSRUSA-N 2 2 380.536 3.807 40 0 GHABLP COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657964 207145306 /nfs/dbraw/zinc/14/53/06/207145306.db2.gz KVFJVQVUCOBAKI-HXUWFJFHSA-N 2 2 376.460 3.657 40 0 GHABLP COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657964 207145311 /nfs/dbraw/zinc/14/53/11/207145311.db2.gz KVFJVQVUCOBAKI-HXUWFJFHSA-N 2 2 376.460 3.657 40 0 GHABLP c1csc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)c1 ZINC000035425779 560080763 /nfs/dbraw/zinc/08/07/63/560080763.db2.gz ZIKSYSZXMVBRFD-INIZCTEOSA-N 2 2 378.461 3.716 40 0 biogenic,in-vitro GHABLP c1csc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)c1 ZINC000035425779 560080764 /nfs/dbraw/zinc/08/07/64/560080764.db2.gz ZIKSYSZXMVBRFD-INIZCTEOSA-N 2 2 378.461 3.716 40 0 biogenic,in-vitro GHABLP CNc1ncc(C[N@H+](Cc2ccccc2OC)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461021 210251055 /nfs/dbraw/zinc/25/10/55/210251055.db2.gz LNTLEPWLWOYNLB-UHFFFAOYSA-N 2 2 397.567 3.838 40 0 GHABLP CNc1ncc(C[N@@H+](Cc2ccccc2OC)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019461021 210251057 /nfs/dbraw/zinc/25/10/57/210251057.db2.gz LNTLEPWLWOYNLB-UHFFFAOYSA-N 2 2 397.567 3.838 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000329015330 209156638 /nfs/dbraw/zinc/15/66/38/209156638.db2.gz NAGKJKDNUKRBEM-UHFFFAOYSA-N 2 2 380.323 3.612 40 0 GHABLP CC1=C[C@@H](CNC(=O)C[NH+](C)C)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000072320802 560077290 /nfs/dbraw/zinc/07/72/90/560077290.db2.gz XGLILAULCYYTFS-FHWLQOOXSA-N 2 2 382.552 3.638 40 0 biogenic,in-vitro GHABLP c1[nH+]c2n(c1-c1cccnc1)CC1(C2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000306130224 212047816 /nfs/dbraw/zinc/04/78/16/212047816.db2.gz IZLKCAXSBUQGEH-UHFFFAOYSA-N 2 2 388.471 3.512 40 0 GHABLP Cc1nc(C[NH+]2CC[C@]3(C2)C[N@@H+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239787 211323171 /nfs/dbraw/zinc/32/31/71/211323171.db2.gz LLECEMKWEQJHRL-GOSISDBHSA-N 2 2 378.492 3.580 40 0 GHABLP Cc1nc(C[N@@H+]2CC[C@]3(C2)C[NH+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239787 211323162 /nfs/dbraw/zinc/32/31/62/211323162.db2.gz LLECEMKWEQJHRL-GOSISDBHSA-N 2 2 378.492 3.580 40 0 GHABLP Cc1nc(C[N@H+]2CC[C@]3(C2)C[NH+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239787 211323165 /nfs/dbraw/zinc/32/31/65/211323165.db2.gz LLECEMKWEQJHRL-GOSISDBHSA-N 2 2 378.492 3.580 40 0 GHABLP Cc1nc(C[NH+]2CC[C@]3(C2)C[N@H+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239787 211323168 /nfs/dbraw/zinc/32/31/68/211323168.db2.gz LLECEMKWEQJHRL-GOSISDBHSA-N 2 2 378.492 3.580 40 0 GHABLP Cc1cc(Nc2ncccc2C)cc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000072374841 211106392 /nfs/dbraw/zinc/10/63/92/211106392.db2.gz OXJHQJMDHKCMGA-LJQANCHMSA-N 2 2 393.535 3.639 40 0 GHABLP Cc1cc(Nc2ncccc2C)cc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000072374841 211106396 /nfs/dbraw/zinc/10/63/96/211106396.db2.gz OXJHQJMDHKCMGA-LJQANCHMSA-N 2 2 393.535 3.639 40 0 GHABLP C[N@@H+]1CC[NH2+]C[C@H](Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)C1 ZINC000585263241 570231614 /nfs/dbraw/zinc/23/16/14/570231614.db2.gz ROJPMGWDQTVWAH-KRWDZBQOSA-N 2 2 379.533 3.642 40 0 GHABLP C[N@H+]1CC[NH2+]C[C@H](Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)C1 ZINC000585263241 570231617 /nfs/dbraw/zinc/23/16/17/570231617.db2.gz ROJPMGWDQTVWAH-KRWDZBQOSA-N 2 2 379.533 3.642 40 0 GHABLP CC(C)Oc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019450891 210249577 /nfs/dbraw/zinc/24/95/77/210249577.db2.gz ZRALYEXEBQLCPX-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c1 ZINC000019450891 210249581 /nfs/dbraw/zinc/24/95/81/210249581.db2.gz ZRALYEXEBQLCPX-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019450891 210249585 /nfs/dbraw/zinc/24/95/85/210249585.db2.gz ZRALYEXEBQLCPX-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1cccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019450891 210249589 /nfs/dbraw/zinc/24/95/89/210249589.db2.gz ZRALYEXEBQLCPX-QFIPXVFZSA-N 2 2 380.536 3.979 40 0 GHABLP C[NH+]1CC2(C1)C[N@H+](Cc1ccccc1)C[C@]21CCC[NH+](Cc2ccco2)CC1 ZINC000306132727 212049132 /nfs/dbraw/zinc/04/91/32/212049132.db2.gz LQMKNZZXURCYNH-HSZRJFAPSA-N 3 2 379.548 3.700 40 0 GHABLP C[NH+]1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@]21CCC[NH+](Cc2ccco2)CC1 ZINC000306132727 212049134 /nfs/dbraw/zinc/04/91/34/212049134.db2.gz LQMKNZZXURCYNH-HSZRJFAPSA-N 3 2 379.548 3.700 40 0 GHABLP C[NH+]1CC2(C1)C[NH+](Cc1ccccc1)C[C@]21CCC[N@H+](Cc2ccco2)CC1 ZINC000306132727 212049137 /nfs/dbraw/zinc/04/91/37/212049137.db2.gz LQMKNZZXURCYNH-HSZRJFAPSA-N 3 2 379.548 3.700 40 0 GHABLP C[NH+]1CC2(C1)C[NH+](Cc1ccccc1)C[C@]21CCC[N@@H+](Cc2ccco2)CC1 ZINC000306132727 212049140 /nfs/dbraw/zinc/04/91/40/212049140.db2.gz LQMKNZZXURCYNH-HSZRJFAPSA-N 3 2 379.548 3.700 40 0 GHABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ccccc21 ZINC000306125258 212044020 /nfs/dbraw/zinc/04/40/20/212044020.db2.gz CKQWNXZCUFSWJO-QFIPXVFZSA-N 2 2 377.488 3.686 40 0 GHABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ccccc21 ZINC000306125258 212044027 /nfs/dbraw/zinc/04/40/27/212044027.db2.gz CKQWNXZCUFSWJO-QFIPXVFZSA-N 2 2 377.488 3.686 40 0 GHABLP COCCn1cc[nH+]c1[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ccccc21 ZINC000306125257 212045598 /nfs/dbraw/zinc/04/55/98/212045598.db2.gz CKQWNXZCUFSWJO-JOCHJYFZSA-N 2 2 377.488 3.686 40 0 GHABLP COCCn1cc[nH+]c1[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ccccc21 ZINC000306125257 212045601 /nfs/dbraw/zinc/04/56/01/212045601.db2.gz CKQWNXZCUFSWJO-JOCHJYFZSA-N 2 2 377.488 3.686 40 0 GHABLP Cc1nn(C(C)C)c(C)c1C[NH+]1CCN(c2cc(C)[nH+]c([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019697965 210281043 /nfs/dbraw/zinc/28/10/43/210281043.db2.gz KRDUGMMPSBSUOK-JOCHJYFZSA-N 3 2 396.583 3.531 40 0 GHABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](Cc3ccc(F)cc3)CC2)cs1 ZINC000225462919 560043362 /nfs/dbraw/zinc/04/33/62/560043362.db2.gz KEDAVUYHACRKPE-UHFFFAOYSA-N 2 2 377.529 3.608 40 0 biogenic,in-vitro GHABLP Cc1cc(C)c(-n2cccn2)c(C[N@H+](CCC[NH+](C)C)Cc2ccccn2)c1 ZINC000012118132 570611885 /nfs/dbraw/zinc/61/18/85/570611885.db2.gz IWGRROXODUAICZ-UHFFFAOYSA-N 2 2 377.536 3.838 40 0 GHABLP Cc1cc(C)c(-n2cccn2)c(C[N@@H+](CCC[NH+](C)C)Cc2ccccn2)c1 ZINC000012118132 570611888 /nfs/dbraw/zinc/61/18/88/570611888.db2.gz IWGRROXODUAICZ-UHFFFAOYSA-N 2 2 377.536 3.838 40 0 GHABLP CC(=O)N[C@H]1C[N@@H+](C)C2(C1)CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019704156 856424715 /nfs/dbraw/zinc/42/47/15/856424715.db2.gz NIZWLXJAEWQOJR-HSZRJFAPSA-N 2 2 377.532 3.528 40 0 GHABLP CC(=O)N[C@H]1C[N@H+](C)C2(C1)CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019704156 856424724 /nfs/dbraw/zinc/42/47/24/856424724.db2.gz NIZWLXJAEWQOJR-HSZRJFAPSA-N 2 2 377.532 3.528 40 0 GHABLP CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)sc1C ZINC000019719819 210288366 /nfs/dbraw/zinc/28/83/66/210288366.db2.gz NGVJKFOLMPYXNY-HNNXBMFYSA-N 2 2 397.548 3.783 40 0 GHABLP CCc1nc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)sc1C ZINC000019719819 210288371 /nfs/dbraw/zinc/28/83/71/210288371.db2.gz NGVJKFOLMPYXNY-HNNXBMFYSA-N 2 2 397.548 3.783 40 0 GHABLP CC(=O)N[C@H]1C[N@@H+](C)C2(C1)CC[NH+](Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC000019704238 856424393 /nfs/dbraw/zinc/42/43/93/856424393.db2.gz ALBBLFQEVLPMSI-HSZRJFAPSA-N 2 2 395.522 3.668 40 0 GHABLP CC(=O)N[C@H]1C[N@H+](C)C2(C1)CC[NH+](Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC000019704238 856424396 /nfs/dbraw/zinc/42/43/96/856424396.db2.gz ALBBLFQEVLPMSI-HSZRJFAPSA-N 2 2 395.522 3.668 40 0 GHABLP CC(=O)N[C@@H]1C[N@@H+](C)C2(C1)CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019704155 856424487 /nfs/dbraw/zinc/42/44/87/856424487.db2.gz NIZWLXJAEWQOJR-QHCPKHFHSA-N 2 2 377.532 3.528 40 0 GHABLP CC(=O)N[C@@H]1C[N@H+](C)C2(C1)CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000019704155 856424493 /nfs/dbraw/zinc/42/44/93/856424493.db2.gz NIZWLXJAEWQOJR-QHCPKHFHSA-N 2 2 377.532 3.528 40 0 GHABLP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cnn(C)c1)CC21CC[NH+](CC(C)C)CC1 ZINC000306130421 212047740 /nfs/dbraw/zinc/04/77/40/212047740.db2.gz JFXDCYUPMQBIOT-UHFFFAOYSA-N 2 2 398.599 3.511 40 0 GHABLP Cc1nc2c(n1C(C)C)C[N@H+](Cc1cnn(C)c1)CC21CC[NH+](CC(C)C)CC1 ZINC000306130421 212047742 /nfs/dbraw/zinc/04/77/42/212047742.db2.gz JFXDCYUPMQBIOT-UHFFFAOYSA-N 2 2 398.599 3.511 40 0 GHABLP Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000328985818 209156245 /nfs/dbraw/zinc/15/62/45/209156245.db2.gz HVSIHHDBWDUBNC-UHFFFAOYSA-N 2 2 393.457 3.632 40 0 GHABLP CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccsc1)CCC2 ZINC000096056028 211298733 /nfs/dbraw/zinc/29/87/33/211298733.db2.gz NGVRLVPXMHSOIU-FPOVZHCZSA-N 2 2 388.533 3.618 40 0 GHABLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccsc1)CCC2 ZINC000096056028 211298735 /nfs/dbraw/zinc/29/87/35/211298735.db2.gz NGVRLVPXMHSOIU-FPOVZHCZSA-N 2 2 388.533 3.618 40 0 GHABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096056028 211298738 /nfs/dbraw/zinc/29/87/38/211298738.db2.gz NGVRLVPXMHSOIU-FPOVZHCZSA-N 2 2 388.533 3.618 40 0 GHABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096056028 211298740 /nfs/dbraw/zinc/29/87/40/211298740.db2.gz NGVRLVPXMHSOIU-FPOVZHCZSA-N 2 2 388.533 3.618 40 0 GHABLP Fc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)cc2)c1 ZINC000019711040 210286233 /nfs/dbraw/zinc/28/62/33/210286233.db2.gz GAYRYCUUGIHFEM-HXUWFJFHSA-N 2 2 391.494 3.567 40 0 GHABLP Fc1cccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)cc2)c1 ZINC000019711040 210286237 /nfs/dbraw/zinc/28/62/37/210286237.db2.gz GAYRYCUUGIHFEM-HXUWFJFHSA-N 2 2 391.494 3.567 40 0 GHABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4cc(OC)c(OC)c(OC)c4)C3)[nH+]c2c1 ZINC000035446800 560079229 /nfs/dbraw/zinc/07/92/29/560079229.db2.gz VXSJUCIDUJPXJW-HNNXBMFYSA-N 2 2 397.475 3.587 40 0 biogenic,in-vitro GHABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cc(OC)c(OC)c(OC)c4)C3)[nH+]c2c1 ZINC000035446800 560079230 /nfs/dbraw/zinc/07/92/30/560079230.db2.gz VXSJUCIDUJPXJW-HNNXBMFYSA-N 2 2 397.475 3.587 40 0 biogenic,in-vitro GHABLP O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058975720 570736169 /nfs/dbraw/zinc/73/61/69/570736169.db2.gz HVPMEWFESVCWHF-UHFFFAOYSA-N 2 2 388.515 3.847 40 0 GHABLP CNc1cc(C[N@H+](C)Cc2cccc3ncccc23)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709942 860328415 /nfs/dbraw/zinc/32/84/15/860328415.db2.gz KFNKINDUYUYQBE-HXUWFJFHSA-N 2 2 376.508 3.513 40 0 GHABLP CNc1cc(C[N@@H+](C)Cc2cccc3ncccc23)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709942 860328423 /nfs/dbraw/zinc/32/84/23/860328423.db2.gz KFNKINDUYUYQBE-HXUWFJFHSA-N 2 2 376.508 3.513 40 0 GHABLP CC(C)Oc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc1 ZINC000019450674 210248864 /nfs/dbraw/zinc/24/88/64/210248864.db2.gz PKAFAMYVKYKKCM-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc1 ZINC000019450674 210248871 /nfs/dbraw/zinc/24/88/71/210248871.db2.gz PKAFAMYVKYKKCM-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019450674 210248877 /nfs/dbraw/zinc/24/88/77/210248877.db2.gz PKAFAMYVKYKKCM-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CC(C)Oc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019450674 210248881 /nfs/dbraw/zinc/24/88/81/210248881.db2.gz PKAFAMYVKYKKCM-JOCHJYFZSA-N 2 2 380.536 3.979 40 0 GHABLP CCOC(=O)[C@@]12C[N@H+](CC(C)C)C[C@@H]1C[NH+](Cc1ccc(F)cc1)CCC2 ZINC000096055931 211298449 /nfs/dbraw/zinc/29/84/49/211298449.db2.gz KHRXKJQTUNRRIZ-UGKGYDQZSA-N 2 2 376.516 3.559 40 0 GHABLP CCOC(=O)[C@@]12C[N@@H+](CC(C)C)C[C@@H]1C[NH+](Cc1ccc(F)cc1)CCC2 ZINC000096055931 211298452 /nfs/dbraw/zinc/29/84/52/211298452.db2.gz KHRXKJQTUNRRIZ-UGKGYDQZSA-N 2 2 376.516 3.559 40 0 GHABLP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096055931 211298456 /nfs/dbraw/zinc/29/84/56/211298456.db2.gz KHRXKJQTUNRRIZ-UGKGYDQZSA-N 2 2 376.516 3.559 40 0 GHABLP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096055931 211298459 /nfs/dbraw/zinc/29/84/59/211298459.db2.gz KHRXKJQTUNRRIZ-UGKGYDQZSA-N 2 2 376.516 3.559 40 0 GHABLP CCc1[nH+]ccn1-c1nccnc1C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000072350516 211097318 /nfs/dbraw/zinc/09/73/18/211097318.db2.gz YNKGFOBCUCUZDK-UHFFFAOYSA-N 2 2 377.492 3.613 40 0 GHABLP Fc1ccccc1-c1ccccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000019711270 210285649 /nfs/dbraw/zinc/28/56/49/210285649.db2.gz AAIOHJCTBOQPMI-UHFFFAOYSA-N 2 2 391.494 3.567 40 0 GHABLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1OC ZINC000019533861 210258648 /nfs/dbraw/zinc/25/86/48/210258648.db2.gz ZLRUIFLWONTSRR-HXUWFJFHSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)cc1OC ZINC000019533861 210258651 /nfs/dbraw/zinc/25/86/51/210258651.db2.gz ZLRUIFLWONTSRR-HXUWFJFHSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1OC ZINC000019533861 210258655 /nfs/dbraw/zinc/25/86/55/210258655.db2.gz ZLRUIFLWONTSRR-HXUWFJFHSA-N 2 2 396.535 3.599 40 0 GHABLP CCOc1ccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1OC ZINC000019533861 210258658 /nfs/dbraw/zinc/25/86/58/210258658.db2.gz ZLRUIFLWONTSRR-HXUWFJFHSA-N 2 2 396.535 3.599 40 0 GHABLP COCCn1cc[nH+]c1[C@H]1C[N@H+](Cc2cccc(OC)c2)Cc2ccccc21 ZINC000306125745 212044824 /nfs/dbraw/zinc/04/48/24/212044824.db2.gz DARSXGCQVMKTLR-QFIPXVFZSA-N 2 2 377.488 3.686 40 0 GHABLP COCCn1cc[nH+]c1[C@H]1C[N@@H+](Cc2cccc(OC)c2)Cc2ccccc21 ZINC000306125745 212044827 /nfs/dbraw/zinc/04/48/27/212044827.db2.gz DARSXGCQVMKTLR-QFIPXVFZSA-N 2 2 377.488 3.686 40 0 GHABLP Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019710974 210287003 /nfs/dbraw/zinc/28/70/03/210287003.db2.gz JLGDMVAUPJTTCX-GOSISDBHSA-N 2 2 391.494 3.567 40 0 GHABLP Fc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019710974 210287006 /nfs/dbraw/zinc/28/70/06/210287006.db2.gz JLGDMVAUPJTTCX-GOSISDBHSA-N 2 2 391.494 3.567 40 0 GHABLP Cc1cc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019698043 210282208 /nfs/dbraw/zinc/28/22/08/210282208.db2.gz PRJYUDMVAQQUMQ-HSZRJFAPSA-N 3 2 387.531 3.685 40 0 GHABLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019291181 210237420 /nfs/dbraw/zinc/23/74/20/210237420.db2.gz HISDHZJSKBUWOC-SFTDATJTSA-N 2 2 392.478 3.602 40 0 GHABLP CN1CC[N@H+](Cc2ccsc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306140214 212053699 /nfs/dbraw/zinc/05/36/99/212053699.db2.gz UNBQRJSZCIPSFF-NRFANRHFSA-N 2 2 389.528 3.947 40 0 GHABLP CN1CC[N@@H+](Cc2ccsc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306140214 212053701 /nfs/dbraw/zinc/05/37/01/212053701.db2.gz UNBQRJSZCIPSFF-NRFANRHFSA-N 2 2 389.528 3.947 40 0 GHABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096056044 211298579 /nfs/dbraw/zinc/29/85/79/211298579.db2.gz YLNLDOMBXRJIQZ-AVRDEDQJSA-N 2 2 399.560 3.733 40 0 GHABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096056044 211298585 /nfs/dbraw/zinc/29/85/85/211298585.db2.gz YLNLDOMBXRJIQZ-AVRDEDQJSA-N 2 2 399.560 3.733 40 0 GHABLP CCn1c2ccc(-c3c[nH+]cn3C[C@H](C)[NH+]3CCCCC3)cc2n(CC)c1=O ZINC000019719632 210289136 /nfs/dbraw/zinc/28/91/36/210289136.db2.gz NDAGXYWUFYUPQN-KRWDZBQOSA-N 2 2 381.524 3.581 40 0 GHABLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038831762 570584596 /nfs/dbraw/zinc/58/45/96/570584596.db2.gz CWIVQUCZXIXLSY-UHFFFAOYSA-N 2 2 388.515 3.847 40 0 GHABLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019291183 210237383 /nfs/dbraw/zinc/23/73/83/210237383.db2.gz HISDHZJSKBUWOC-RTWAWAEBSA-N 2 2 392.478 3.602 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329069922 209159478 /nfs/dbraw/zinc/15/94/78/209159478.db2.gz ZBHMENPGJMPUGG-UHFFFAOYSA-N 2 2 380.323 3.612 40 0 GHABLP Cc1nc(C[N@@H+]2CC[C@@]3(C2)C[NH+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239786 211323645 /nfs/dbraw/zinc/32/36/45/211323645.db2.gz LLECEMKWEQJHRL-SFHVURJKSA-N 2 2 378.492 3.580 40 0 GHABLP Cc1nc(C[N@H+]2CC[C@@]3(C2)C[NH+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239786 211323646 /nfs/dbraw/zinc/32/36/46/211323646.db2.gz LLECEMKWEQJHRL-SFHVURJKSA-N 2 2 378.492 3.580 40 0 GHABLP Cc1nc(C[NH+]2CC[C@@]3(C2)C[N@H+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239786 211323649 /nfs/dbraw/zinc/32/36/49/211323649.db2.gz LLECEMKWEQJHRL-SFHVURJKSA-N 2 2 378.492 3.580 40 0 GHABLP Cc1nc(C[NH+]2CC[C@@]3(C2)C[N@@H+](Cc2cccnc2)CCC3(F)F)cs1 ZINC000096239786 211323651 /nfs/dbraw/zinc/32/36/51/211323651.db2.gz LLECEMKWEQJHRL-SFHVURJKSA-N 2 2 378.492 3.580 40 0 GHABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000072350517 211097120 /nfs/dbraw/zinc/09/71/20/211097120.db2.gz PKZGKKGTNAWVIF-GOSISDBHSA-N 2 2 377.492 3.613 40 0 GHABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000072350517 211097123 /nfs/dbraw/zinc/09/71/23/211097123.db2.gz PKZGKKGTNAWVIF-GOSISDBHSA-N 2 2 377.492 3.613 40 0 GHABLP CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCC(Cn2cc[nH+]c2C)CC1 ZINC000019718450 210289790 /nfs/dbraw/zinc/28/97/90/210289790.db2.gz RZDWVXOGOHZJHF-MRXNPFEDSA-N 2 2 379.508 3.603 40 0 GHABLP Cc1[nH+]ccn1Cc1cccc(NC(=O)[C@H](c2ccccc2)n2cc[nH+]c2C)c1 ZINC000019718853 210289832 /nfs/dbraw/zinc/28/98/32/210289832.db2.gz WXDHBVGQUCTDKZ-QFIPXVFZSA-N 2 2 385.471 3.973 40 0 GHABLP Cc1cc(Nc2cccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2)nc(C)[nH+]1 ZINC000019655023 210276976 /nfs/dbraw/zinc/27/69/76/210276976.db2.gz FUILAKHHBPRSON-UHFFFAOYSA-N 2 2 394.504 3.534 40 0 GHABLP Cc1cc(Nc2cccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2)nc(C)[nH+]1 ZINC000019655023 210276980 /nfs/dbraw/zinc/27/69/80/210276980.db2.gz FUILAKHHBPRSON-UHFFFAOYSA-N 2 2 394.504 3.534 40 0 GHABLP Cc1cc(Nc2[nH+]cccc2C)cc([C@@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)[nH+]1 ZINC000585293088 570262302 /nfs/dbraw/zinc/26/23/02/570262302.db2.gz WPUQXVRHHFXALF-QPGLYAHGSA-N 3 2 393.535 3.661 40 0 GHABLP COc1ccc(C[N@H+](Cc2cnc(OC)nc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019461007 210251069 /nfs/dbraw/zinc/25/10/69/210251069.db2.gz OICPRGJFCKXUIW-UHFFFAOYSA-N 2 2 398.551 3.805 40 0 GHABLP COc1ccc(C[N@@H+](Cc2cnc(OC)nc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019461007 210251072 /nfs/dbraw/zinc/25/10/72/210251072.db2.gz OICPRGJFCKXUIW-UHFFFAOYSA-N 2 2 398.551 3.805 40 0 GHABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@H+](Cc3scnc3C)C1)C2 ZINC000306124388 212044764 /nfs/dbraw/zinc/04/47/64/212044764.db2.gz BOFBTERMWXMKJC-OAQYLSRUSA-N 2 2 380.517 3.772 40 0 GHABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@@H+](Cc3scnc3C)C1)C2 ZINC000306124388 212044766 /nfs/dbraw/zinc/04/47/66/212044766.db2.gz BOFBTERMWXMKJC-OAQYLSRUSA-N 2 2 380.517 3.772 40 0 GHABLP Cc1cc(N2CCO[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)nc(C)[nH+]1 ZINC000257299685 212020344 /nfs/dbraw/zinc/02/03/44/212020344.db2.gz RRBRIGLGSWQNNT-IBGZPJMESA-N 2 2 376.464 3.513 40 0 GHABLP O=C(C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000072399258 211112273 /nfs/dbraw/zinc/11/22/73/211112273.db2.gz NERJRFQIPFBTFN-HXUWFJFHSA-N 2 2 395.551 3.614 40 0 GHABLP O=C(C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000072399258 211112277 /nfs/dbraw/zinc/11/22/77/211112277.db2.gz NERJRFQIPFBTFN-HXUWFJFHSA-N 2 2 395.551 3.614 40 0 GHABLP CCc1ncc(C[NH+]2CCC(Cc3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cn1 ZINC000019758957 210293676 /nfs/dbraw/zinc/29/36/76/210293676.db2.gz QXINXFYJZXYZQO-UHFFFAOYSA-N 2 2 394.567 3.582 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000244076242 570458478 /nfs/dbraw/zinc/45/84/78/570458478.db2.gz UCISSEUIPJXQLL-UHFFFAOYSA-N 2 2 391.475 3.980 40 0 GHABLP Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019710975 210286303 /nfs/dbraw/zinc/28/63/03/210286303.db2.gz JLGDMVAUPJTTCX-SFHVURJKSA-N 2 2 391.494 3.567 40 0 GHABLP Fc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000019710975 210286306 /nfs/dbraw/zinc/28/63/06/210286306.db2.gz JLGDMVAUPJTTCX-SFHVURJKSA-N 2 2 391.494 3.567 40 0 GHABLP CCn1c(C)[nH+]c2cc(NC(=O)C[C@@H](c3ccccc3)[NH+]3CCOCC3)ccc21 ZINC000019656396 210278264 /nfs/dbraw/zinc/27/82/64/210278264.db2.gz PAEYYUUVZSDBPI-QFIPXVFZSA-N 2 2 392.503 3.767 40 0 GHABLP Cc1ccc(C)n1-n1c(CN2CCCC[C@@H]2C)nnc1C[N@@H+]1CCCC[C@@H]1C ZINC000225151474 570552410 /nfs/dbraw/zinc/55/24/10/570552410.db2.gz GOIHVKYYGGDWPC-ROUUACIJSA-N 2 2 384.572 3.757 40 0 GHABLP Cc1ccc(C)n1-n1c(CN2CCCC[C@@H]2C)nnc1C[N@H+]1CCCC[C@@H]1C ZINC000225151474 570552413 /nfs/dbraw/zinc/55/24/13/570552413.db2.gz GOIHVKYYGGDWPC-ROUUACIJSA-N 2 2 384.572 3.757 40 0 GHABLP Cc1ccc(C)n1-n1c(C[NH+]2CCCC[C@@H]2C)nnc1C[N@H+]1CCCC[C@@H]1C ZINC000225151474 570552415 /nfs/dbraw/zinc/55/24/15/570552415.db2.gz GOIHVKYYGGDWPC-ROUUACIJSA-N 2 2 384.572 3.757 40 0 GHABLP Cc1ccc(C)n1-n1c(C[NH+]2CCCC[C@@H]2C)nnc1C[N@@H+]1CCCC[C@@H]1C ZINC000225151474 570552417 /nfs/dbraw/zinc/55/24/17/570552417.db2.gz GOIHVKYYGGDWPC-ROUUACIJSA-N 2 2 384.572 3.757 40 0 GHABLP COc1ccc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1CO ZINC000036740538 570569342 /nfs/dbraw/zinc/56/93/42/570569342.db2.gz BBPLEUJCRGDQIP-UHFFFAOYSA-N 2 2 397.563 3.894 40 0 GHABLP COc1ccc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1CO ZINC000036740538 570569343 /nfs/dbraw/zinc/56/93/43/570569343.db2.gz BBPLEUJCRGDQIP-UHFFFAOYSA-N 2 2 397.563 3.894 40 0 GHABLP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1cccs1 ZINC000008254739 570766439 /nfs/dbraw/zinc/76/64/39/570766439.db2.gz SNMHLWFHRLAQHY-UHFFFAOYSA-N 2 2 390.549 3.538 40 0 GHABLP O=C(CCn1cc[nH+]c1-c1ccccc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019374402 210246081 /nfs/dbraw/zinc/24/60/81/210246081.db2.gz MBWILLBINFCWSR-NRFANRHFSA-N 2 2 380.536 3.807 40 0 GHABLP O=C(c1ccccc1Cn1cc[nH+]c1)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019349796 210243808 /nfs/dbraw/zinc/24/38/08/210243808.db2.gz LOZZOSPQRZBOQJ-NRFANRHFSA-N 2 2 380.536 3.802 40 0 GHABLP c1csc(C[N@@H+]2Cc3ccccc3C3(CCN(CC[NH+]4CCCC4)CC3)C2)n1 ZINC000096242488 211322513 /nfs/dbraw/zinc/32/25/13/211322513.db2.gz VRZQBIQOWYLUCA-UHFFFAOYSA-N 2 2 396.604 3.588 40 0 GHABLP c1csc(C[N@H+]2Cc3ccccc3C3(CCN(CC[NH+]4CCCC4)CC3)C2)n1 ZINC000096242488 211322518 /nfs/dbraw/zinc/32/25/18/211322518.db2.gz VRZQBIQOWYLUCA-UHFFFAOYSA-N 2 2 396.604 3.588 40 0 GHABLP Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329018920 570213000 /nfs/dbraw/zinc/21/30/00/570213000.db2.gz NTOIZVHTWJKJEU-UHFFFAOYSA-N 2 2 379.483 3.542 40 0 GHABLP Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000044932545 570643872 /nfs/dbraw/zinc/64/38/72/570643872.db2.gz GPABOCQATHAHEL-UHFFFAOYSA-N 2 2 385.471 3.664 40 0 GHABLP CC(C)COC(=O)NC1CC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000585103596 570929184 /nfs/dbraw/zinc/92/91/84/570929184.db2.gz PTRRTZIDUGRLOT-UHFFFAOYSA-N 2 2 396.535 3.999 40 0 GHABLP C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C)n1cc[nH+]c1 ZINC000019455392 210250639 /nfs/dbraw/zinc/25/06/39/210250639.db2.gz HAQIBTIQJBPTHJ-RJSMDTJLSA-N 2 2 380.536 3.703 40 0 GHABLP C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C)n1cc[nH+]c1 ZINC000019455392 210250643 /nfs/dbraw/zinc/25/06/43/210250643.db2.gz HAQIBTIQJBPTHJ-RJSMDTJLSA-N 2 2 380.536 3.703 40 0 GHABLP Cc1ccc(N2CC[NH+](CCC[NH+]3CCN(c4ccc(C)cc4)CC3)CC2)cc1 ZINC000002022102 209343593 /nfs/dbraw/zinc/34/35/93/209343593.db2.gz NMKDWMCSZAMACR-UHFFFAOYSA-N 2 2 392.591 3.638 40 0 GHABLP Fc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)C3)cc1 ZINC000306145075 212056960 /nfs/dbraw/zinc/05/69/60/212056960.db2.gz ZWZXMLHSRMZIBS-QHCPKHFHSA-N 2 2 391.446 3.866 40 0 GHABLP Fc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)C3)cc1 ZINC000306145075 212056964 /nfs/dbraw/zinc/05/69/64/212056964.db2.gz ZWZXMLHSRMZIBS-QHCPKHFHSA-N 2 2 391.446 3.866 40 0 GHABLP Fc1ccc(-c2cccc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)c2)cc1 ZINC000072372105 211101943 /nfs/dbraw/zinc/10/19/43/211101943.db2.gz CSIZXZFXRINRPS-UHFFFAOYSA-N 2 2 391.494 3.567 40 0 GHABLP O=C(C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000072399257 211112449 /nfs/dbraw/zinc/11/24/49/211112449.db2.gz NERJRFQIPFBTFN-FQEVSTJZSA-N 2 2 395.551 3.614 40 0 GHABLP O=C(C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000072399257 211112453 /nfs/dbraw/zinc/11/24/53/211112453.db2.gz NERJRFQIPFBTFN-FQEVSTJZSA-N 2 2 395.551 3.614 40 0 GHABLP Cc1cc(Nc2ncccc2C)cc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000072374842 211106465 /nfs/dbraw/zinc/10/64/65/211106465.db2.gz OXJHQJMDHKCMGA-IBGZPJMESA-N 2 2 393.535 3.639 40 0 GHABLP Cc1cc(Nc2ncccc2C)cc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000072374842 211106468 /nfs/dbraw/zinc/10/64/68/211106468.db2.gz OXJHQJMDHKCMGA-IBGZPJMESA-N 2 2 393.535 3.639 40 0 GHABLP Cc1ccc2c(C(=O)C[NH+]3CCC(O)(Cn4cc[nH+]c4C(C)C)CC3)c[nH]c2c1 ZINC000019219709 526119301 /nfs/dbraw/zinc/11/93/01/526119301.db2.gz SOMNCFBDLUOUFG-UHFFFAOYSA-N 2 2 394.519 3.506 40 0 GHABLP CCc1ccc2[nH]c(=O)c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000004132795 570617849 /nfs/dbraw/zinc/61/78/49/570617849.db2.gz DOABQNQIXPOLFH-UHFFFAOYSA-N 2 2 375.516 3.845 40 0 GHABLP COc1ccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccc(OC)cc5)n4C[C@H]3C2)cc1 ZINC000306134059 212051736 /nfs/dbraw/zinc/05/17/36/212051736.db2.gz NCSUQYUOSZPOIV-VQTJNVASSA-N 2 2 389.499 3.872 40 0 GHABLP COc1ccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccc(OC)cc5)n4C[C@H]3C2)cc1 ZINC000306134059 212051738 /nfs/dbraw/zinc/05/17/38/212051738.db2.gz NCSUQYUOSZPOIV-VQTJNVASSA-N 2 2 389.499 3.872 40 0 GHABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000072350518 211096916 /nfs/dbraw/zinc/09/69/16/211096916.db2.gz PKZGKKGTNAWVIF-SFHVURJKSA-N 2 2 377.492 3.613 40 0 GHABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000072350518 211096917 /nfs/dbraw/zinc/09/69/17/211096917.db2.gz PKZGKKGTNAWVIF-SFHVURJKSA-N 2 2 377.492 3.613 40 0 GHABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(Cl)cc5)c43)C2)CC1 ZINC000004237525 560197902 /nfs/dbraw/zinc/19/79/02/560197902.db2.gz VAMGWAIDPBZCHQ-FUHWJXTLSA-N 2 2 397.950 3.682 40 0 biogenic,in-vitro GHABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(Cl)cc5)c43)C2)CC1 ZINC000004237525 560197904 /nfs/dbraw/zinc/19/79/04/560197904.db2.gz VAMGWAIDPBZCHQ-FUHWJXTLSA-N 2 2 397.950 3.682 40 0 biogenic,in-vitro GHABLP Cc1cc(Nc2[nH+]cccc2C)cc([C@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)[nH+]1 ZINC000585293089 570262295 /nfs/dbraw/zinc/26/22/95/570262295.db2.gz WPUQXVRHHFXALF-VQFGERMISA-N 3 2 393.535 3.661 40 0 GHABLP Cc1cc(Nc2cccc(C(=O)NC(C)(C)C[NH+]3CCCCC3)c2)nc(C)[nH+]1 ZINC000057776197 570373554 /nfs/dbraw/zinc/37/35/54/570373554.db2.gz KDUKHBJDLOGESC-UHFFFAOYSA-N 2 2 381.524 3.831 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329019929 570213043 /nfs/dbraw/zinc/21/30/43/570213043.db2.gz NZUHGTUGFGHATA-UHFFFAOYSA-N 2 2 380.323 3.612 40 0 GHABLP COc1cc2c(cc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1F)OCO2 ZINC000043277844 570626915 /nfs/dbraw/zinc/62/69/15/570626915.db2.gz YWGCGKABUHMNAX-UHFFFAOYSA-N 2 2 397.450 3.852 40 0 GHABLP COc1cc2c(cc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1F)OCO2 ZINC000043277844 570626919 /nfs/dbraw/zinc/62/69/19/570626919.db2.gz YWGCGKABUHMNAX-UHFFFAOYSA-N 2 2 397.450 3.852 40 0 GHABLP Cc1csc2c([C@@H]3CCCN(C(=O)CCCn4cc[nH+]c4C)C3)[nH+]c(C)n12 ZINC000019240407 570969333 /nfs/dbraw/zinc/96/93/33/570969333.db2.gz QDKYGXBNIZOMRM-QGZVFWFLSA-N 2 2 385.537 3.704 40 0 GHABLP COc1ccc2c(c1)[NH+]=C(NNC1=[NH+]c3cc(OC)ccc3SC1)CS2 ZINC000001610122 212249849 /nfs/dbraw/zinc/24/98/49/212249849.db2.gz BPQWEYMWJGYEFD-UHFFFAOYSA-N 2 2 386.502 3.770 40 0 GHABLP Cc1c(C[NH+]2CCC(c3ccc(Nc4cccc(C)[nH+]4)cn3)CC2)cnn1C ZINC000072374234 222243484 /nfs/dbraw/zinc/24/34/84/222243484.db2.gz VNZUAKAHDBVCRM-UHFFFAOYSA-N 2 2 376.508 3.950 40 0 GHABLP C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C)n1cc[nH+]c1 ZINC000019455390 570987352 /nfs/dbraw/zinc/98/73/52/570987352.db2.gz HAQIBTIQJBPTHJ-DXKRWKNPSA-N 2 2 380.536 3.703 40 0 GHABLP C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C)n1cc[nH+]c1 ZINC000019455390 570987355 /nfs/dbraw/zinc/98/73/55/570987355.db2.gz HAQIBTIQJBPTHJ-DXKRWKNPSA-N 2 2 380.536 3.703 40 0 GHABLP C[N@H+](Cc1cc(CC2([NH2+]Cc3ccc(F)cc3)COC2)no1)Cc1ccccc1 ZINC000067898115 222167438 /nfs/dbraw/zinc/16/74/38/222167438.db2.gz XVOMONZAMBKRQW-UHFFFAOYSA-N 2 2 395.478 3.547 40 0 biogenic,in-vitro GHABLP C[N@@H+](Cc1cc(CC2([NH2+]Cc3ccc(F)cc3)COC2)no1)Cc1ccccc1 ZINC000067898115 222167442 /nfs/dbraw/zinc/16/74/42/222167442.db2.gz XVOMONZAMBKRQW-UHFFFAOYSA-N 2 2 395.478 3.547 40 0 biogenic,in-vitro GHABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056045 222376159 /nfs/dbraw/zinc/37/61/59/222376159.db2.gz BLDBCYAZHUVPHF-CVDCTZTESA-N 2 2 397.494 3.502 40 0 GHABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056045 222376163 /nfs/dbraw/zinc/37/61/63/222376163.db2.gz BLDBCYAZHUVPHF-CVDCTZTESA-N 2 2 397.494 3.502 40 0 GHABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022075505 570321639 /nfs/dbraw/zinc/32/16/39/570321639.db2.gz RALCAOKFVHXMIY-CQSZACIVSA-N 2 2 383.319 3.632 40 0 GHABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c[nH]cc3c(Cl)nnc2-3)o1 ZINC000043277777 570626766 /nfs/dbraw/zinc/62/67/66/570626766.db2.gz XRWBTUGDIOAROJ-UHFFFAOYSA-N 2 2 384.871 3.802 40 0 GHABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c[nH]cc3c(Cl)nnc2-3)o1 ZINC000043277777 570626768 /nfs/dbraw/zinc/62/67/68/570626768.db2.gz XRWBTUGDIOAROJ-UHFFFAOYSA-N 2 2 384.871 3.802 40 0 GHABLP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 ZINC000257219797 570762770 /nfs/dbraw/zinc/76/27/70/570762770.db2.gz DIFGROPIFYUYFJ-PZJWPPBQSA-N 2 2 381.520 3.951 40 0 GHABLP COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1ncc3c(n1)CC[NH+](C)C3)CCC2 ZINC000019590323 571017308 /nfs/dbraw/zinc/01/73/08/571017308.db2.gz CEMKSSMTNLBHHJ-QFIPXVFZSA-N 2 2 392.547 3.689 40 0 GHABLP COc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1ncc3c(n1)CC[NH+](C)C3)CCC2 ZINC000019590323 571017312 /nfs/dbraw/zinc/01/73/12/571017312.db2.gz CEMKSSMTNLBHHJ-QFIPXVFZSA-N 2 2 392.547 3.689 40 0 GHABLP COc1cc2c(cc1C[NH+]1CCCC[C@H]1c1ncc3c(n1)CC[N@@H+](C)C3)CCC2 ZINC000019590323 571017315 /nfs/dbraw/zinc/01/73/15/571017315.db2.gz CEMKSSMTNLBHHJ-QFIPXVFZSA-N 2 2 392.547 3.689 40 0 GHABLP COc1cc2c(cc1C[NH+]1CCCC[C@H]1c1ncc3c(n1)CC[N@H+](C)C3)CCC2 ZINC000019590323 571017319 /nfs/dbraw/zinc/01/73/19/571017319.db2.gz CEMKSSMTNLBHHJ-QFIPXVFZSA-N 2 2 392.547 3.689 40 0 GHABLP CNc1cc(C[N@H+](C)Cc2cccc3ncccc23)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709941 860328265 /nfs/dbraw/zinc/32/82/65/860328265.db2.gz KFNKINDUYUYQBE-FQEVSTJZSA-N 2 2 376.508 3.513 40 0 GHABLP CNc1cc(C[N@@H+](C)Cc2cccc3ncccc23)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709941 860328275 /nfs/dbraw/zinc/32/82/75/860328275.db2.gz KFNKINDUYUYQBE-FQEVSTJZSA-N 2 2 376.508 3.513 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329026128 212093594 /nfs/dbraw/zinc/09/35/94/212093594.db2.gz PJWGCXSHXSXVIN-UHFFFAOYSA-N 2 2 379.430 3.902 40 0 GHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3ccc(C)cc3OC)n(C)n2)CC1 ZINC000100687689 570274945 /nfs/dbraw/zinc/27/49/45/570274945.db2.gz YSBQZHVVVSRYRX-KDURUIRLSA-N 2 2 384.568 3.862 40 0 GHABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3ccc(C)cc3OC)n(C)n2)CC1 ZINC000100687689 570274946 /nfs/dbraw/zinc/27/49/46/570274946.db2.gz YSBQZHVVVSRYRX-KDURUIRLSA-N 2 2 384.568 3.862 40 0 GHABLP Cn1cc[nH+]c1[C@H](NC(=O)c1ccoc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000019291220 570971793 /nfs/dbraw/zinc/97/17/93/570971793.db2.gz GPXOXFUFCWVVGW-HXUWFJFHSA-N 2 2 396.466 3.658 40 0 GHABLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019291184 570971962 /nfs/dbraw/zinc/97/19/62/570971962.db2.gz HISDHZJSKBUWOC-LEWJYISDSA-N 2 2 392.478 3.602 40 0 GHABLP Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705512 571031559 /nfs/dbraw/zinc/03/15/59/571031559.db2.gz XGNGHYCMTRZFCD-HXUWFJFHSA-N 2 2 377.467 3.525 40 0 GHABLP Fc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019705512 571031560 /nfs/dbraw/zinc/03/15/60/571031560.db2.gz XGNGHYCMTRZFCD-HXUWFJFHSA-N 2 2 377.467 3.525 40 0 GHABLP Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)c2)[nH+]1 ZINC000585291316 570259731 /nfs/dbraw/zinc/25/97/31/570259731.db2.gz AYMUNKRAJVCBBY-SSVWKNEZSA-N 3 2 393.535 3.661 40 0 GHABLP CN1CC[N@H+](Cc2ccsc2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306140215 570944827 /nfs/dbraw/zinc/94/48/27/570944827.db2.gz UNBQRJSZCIPSFF-OAQYLSRUSA-N 2 2 389.528 3.947 40 0 GHABLP CN1CC[N@@H+](Cc2ccsc2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306140215 570944828 /nfs/dbraw/zinc/94/48/28/570944828.db2.gz UNBQRJSZCIPSFF-OAQYLSRUSA-N 2 2 389.528 3.947 40 0 GHABLP CCCOc1ccccc1C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019525168 570996666 /nfs/dbraw/zinc/99/66/66/570996666.db2.gz UONNCGXVIHAYIO-OAQYLSRUSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019525168 570996670 /nfs/dbraw/zinc/99/66/70/570996670.db2.gz UONNCGXVIHAYIO-OAQYLSRUSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019525168 570996674 /nfs/dbraw/zinc/99/66/74/570996674.db2.gz UONNCGXVIHAYIO-OAQYLSRUSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019525168 570996677 /nfs/dbraw/zinc/99/66/77/570996677.db2.gz UONNCGXVIHAYIO-OAQYLSRUSA-N 2 2 380.536 3.981 40 0 GHABLP C[C@@H]1CCCN(c2ncc(-c3c[nH+]cn3Cc3ccccc3C[NH+](C)C)cn2)C1 ZINC000072391889 136169172 /nfs/dbraw/zinc/16/91/72/136169172.db2.gz FJYHZKOBKYUKSF-GOSISDBHSA-N 2 2 390.535 3.686 40 0 GHABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022075507 570321784 /nfs/dbraw/zinc/32/17/84/570321784.db2.gz RALCAOKFVHXMIY-AWEZNQCLSA-N 2 2 383.319 3.632 40 0 GHABLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019291185 570971978 /nfs/dbraw/zinc/97/19/78/570971978.db2.gz HISDHZJSKBUWOC-NHCUHLMSSA-N 2 2 392.478 3.602 40 0 GHABLP C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000328979234 212091746 /nfs/dbraw/zinc/09/17/46/212091746.db2.gz GFLCGURUDTVFBB-UHFFFAOYSA-N 2 2 380.323 3.612 40 0 GHABLP Cc1cccc(Nc2cc(C)[nH+]c(C3CC[NH+](Cc4cnn(C)c4)CC3)c2)[nH+]1 ZINC000257278641 570774910 /nfs/dbraw/zinc/77/49/10/570774910.db2.gz ODAJPAMQGKDCRP-UHFFFAOYSA-N 3 2 376.508 3.950 40 0 GHABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccnc(N3CCCC3)n2)s1 ZINC000019217156 570961897 /nfs/dbraw/zinc/96/18/97/570961897.db2.gz MRFCEWZOKBMODR-UHFFFAOYSA-N 2 2 396.564 3.736 40 0 GHABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccnc(N3CCCC3)n2)s1 ZINC000019217156 570961898 /nfs/dbraw/zinc/96/18/98/570961898.db2.gz MRFCEWZOKBMODR-UHFFFAOYSA-N 2 2 396.564 3.736 40 0 GHABLP CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1cccs1)CCC2 ZINC000096056027 222375386 /nfs/dbraw/zinc/37/53/86/222375386.db2.gz TVROTAJGQQKFOO-RXVVDRJESA-N 2 2 388.533 3.618 40 0 GHABLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1cccs1)CCC2 ZINC000096056027 222375390 /nfs/dbraw/zinc/37/53/90/222375390.db2.gz TVROTAJGQQKFOO-RXVVDRJESA-N 2 2 388.533 3.618 40 0 GHABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096056027 222375393 /nfs/dbraw/zinc/37/53/93/222375393.db2.gz TVROTAJGQQKFOO-RXVVDRJESA-N 2 2 388.533 3.618 40 0 GHABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096056027 222375397 /nfs/dbraw/zinc/37/53/97/222375397.db2.gz TVROTAJGQQKFOO-RXVVDRJESA-N 2 2 388.533 3.618 40 0 GHABLP C[N@H+](Cc1cc(CC2([NH2+]Cc3ccccc3F)COC2)no1)Cc1ccccc1 ZINC000067898112 222166959 /nfs/dbraw/zinc/16/69/59/222166959.db2.gz XCUHTXVSDROBMW-UHFFFAOYSA-N 2 2 395.478 3.547 40 0 biogenic,in-vitro GHABLP C[N@@H+](Cc1cc(CC2([NH2+]Cc3ccccc3F)COC2)no1)Cc1ccccc1 ZINC000067898112 222166964 /nfs/dbraw/zinc/16/69/64/222166964.db2.gz XCUHTXVSDROBMW-UHFFFAOYSA-N 2 2 395.478 3.547 40 0 biogenic,in-vitro GHABLP COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4c[nH+]c[nH]4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257337580 570784215 /nfs/dbraw/zinc/78/42/15/570784215.db2.gz YTJXUTSRLUMJAL-PZJWPPBQSA-N 2 2 397.519 3.949 40 0 GHABLP CC[NH+](CC)CC(C)(C)C[NH2+][C@@H](C)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217941 570269137 /nfs/dbraw/zinc/26/91/37/570269137.db2.gz FBVVUPWHNBHARJ-HNNXBMFYSA-N 2 2 375.561 3.751 40 0 GHABLP COc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C)o2)cc2c1OCO2 ZINC000036740281 570568935 /nfs/dbraw/zinc/56/89/35/570568935.db2.gz YUQQMWPXPHTHPG-UHFFFAOYSA-N 2 2 383.448 3.614 40 0 GHABLP COc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C)o2)cc2c1OCO2 ZINC000036740281 570568939 /nfs/dbraw/zinc/56/89/39/570568939.db2.gz YUQQMWPXPHTHPG-UHFFFAOYSA-N 2 2 383.448 3.614 40 0 GHABLP COc1ccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306134057 570941605 /nfs/dbraw/zinc/94/16/05/570941605.db2.gz NCSUQYUOSZPOIV-PMACEKPBSA-N 2 2 389.499 3.872 40 0 GHABLP COc1ccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306134057 570941606 /nfs/dbraw/zinc/94/16/06/570941606.db2.gz NCSUQYUOSZPOIV-PMACEKPBSA-N 2 2 389.499 3.872 40 0 GHABLP c1[nH+]cn(Cc2ccccc2)c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000019372777 570981132 /nfs/dbraw/zinc/98/11/32/570981132.db2.gz PNARBDWRYZXVJP-ZEQRLZLVSA-N 2 2 386.543 3.823 40 0 GHABLP c1[nH+]cn(Cc2ccccc2)c1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000019372777 570981133 /nfs/dbraw/zinc/98/11/33/570981133.db2.gz PNARBDWRYZXVJP-ZEQRLZLVSA-N 2 2 386.543 3.823 40 0 GHABLP CCCOc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCCC[NH+]3C)ncc2C1 ZINC000019525171 570996912 /nfs/dbraw/zinc/99/69/12/570996912.db2.gz AOLYXUGVFWVZPY-OAQYLSRUSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[N@H+]1CCc2nc([C@H]3CCCC[NH+]3C)ncc2C1 ZINC000019525171 570996914 /nfs/dbraw/zinc/99/69/14/570996914.db2.gz AOLYXUGVFWVZPY-OAQYLSRUSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[NH+]1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019525171 570996915 /nfs/dbraw/zinc/99/69/15/570996915.db2.gz AOLYXUGVFWVZPY-OAQYLSRUSA-N 2 2 380.536 3.981 40 0 GHABLP CCCOc1ccccc1C[NH+]1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019525171 570996917 /nfs/dbraw/zinc/99/69/17/570996917.db2.gz AOLYXUGVFWVZPY-OAQYLSRUSA-N 2 2 380.536 3.981 40 0 GHABLP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1ncc3c(n1)CC[NH+](C)C3)CCC2 ZINC000019590322 571017229 /nfs/dbraw/zinc/01/72/29/571017229.db2.gz CEMKSSMTNLBHHJ-JOCHJYFZSA-N 2 2 392.547 3.689 40 0 GHABLP COc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1ncc3c(n1)CC[NH+](C)C3)CCC2 ZINC000019590322 571017231 /nfs/dbraw/zinc/01/72/31/571017231.db2.gz CEMKSSMTNLBHHJ-JOCHJYFZSA-N 2 2 392.547 3.689 40 0 GHABLP COc1cc2c(cc1C[NH+]1CCCC[C@@H]1c1ncc3c(n1)CC[N@@H+](C)C3)CCC2 ZINC000019590322 571017237 /nfs/dbraw/zinc/01/72/37/571017237.db2.gz CEMKSSMTNLBHHJ-JOCHJYFZSA-N 2 2 392.547 3.689 40 0 GHABLP COc1cc2c(cc1C[NH+]1CCCC[C@@H]1c1ncc3c(n1)CC[N@H+](C)C3)CCC2 ZINC000019590322 571017242 /nfs/dbraw/zinc/01/72/42/571017242.db2.gz CEMKSSMTNLBHHJ-JOCHJYFZSA-N 2 2 392.547 3.689 40 0 GHABLP Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCCOc3ccccc3)C2)cc[nH+]1 ZINC000072356489 222239192 /nfs/dbraw/zinc/23/91/92/222239192.db2.gz RNIWFBGMBBCTIN-SFHVURJKSA-N 2 2 377.492 3.702 40 0 GHABLP Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCCOc3ccccc3)C2)cc[nH+]1 ZINC000072356489 222239196 /nfs/dbraw/zinc/23/91/96/222239196.db2.gz RNIWFBGMBBCTIN-SFHVURJKSA-N 2 2 377.492 3.702 40 0 GHABLP CC1=C[C@@H](C[NH2+]CC[NH+](C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883539 560089656 /nfs/dbraw/zinc/08/96/56/560089656.db2.gz CLIWYBLKZUNVHC-FHWLQOOXSA-N 2 2 376.589 3.915 40 0 biogenic,in-vitro GHABLP C[N@@H+]1CC[NH2+]C[C@@H](Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)C1 ZINC000585263242 570231693 /nfs/dbraw/zinc/23/16/93/570231693.db2.gz ROJPMGWDQTVWAH-QGZVFWFLSA-N 2 2 379.533 3.642 40 0 GHABLP C[N@H+]1CC[NH2+]C[C@@H](Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)C1 ZINC000585263242 570231696 /nfs/dbraw/zinc/23/16/96/570231696.db2.gz ROJPMGWDQTVWAH-QGZVFWFLSA-N 2 2 379.533 3.642 40 0 GHABLP COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1C[NH2+]CC[NH3+] ZINC000616581018 570681461 /nfs/dbraw/zinc/68/14/61/570681461.db2.gz IVGJGWNPAKJGGB-UHFFFAOYSA-N 2 2 377.488 3.693 40 0 GHABLP O=C(c1ccccc1Cn1cc[nH+]c1)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019349794 570979213 /nfs/dbraw/zinc/97/92/13/570979213.db2.gz LOZZOSPQRZBOQJ-OAQYLSRUSA-N 2 2 380.536 3.802 40 0 GHABLP COc1ccccc1C[N@@H+](Cc1cnc(OC)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019461023 570988899 /nfs/dbraw/zinc/98/88/99/570988899.db2.gz GMIODBUVWKFBQC-UHFFFAOYSA-N 2 2 398.551 3.805 40 0 GHABLP COc1ccccc1C[N@H+](Cc1cnc(OC)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019461023 570988904 /nfs/dbraw/zinc/98/89/04/570988904.db2.gz GMIODBUVWKFBQC-UHFFFAOYSA-N 2 2 398.551 3.805 40 0 GHABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5ccc(Cl)cc5)ccc43)C2)CC1 ZINC000004237294 560197757 /nfs/dbraw/zinc/19/77/57/560197757.db2.gz HAEDNNBXWOZRJM-FUHWJXTLSA-N 2 2 397.950 3.682 40 0 biogenic,in-vitro GHABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5ccc(Cl)cc5)ccc43)C2)CC1 ZINC000004237294 560197758 /nfs/dbraw/zinc/19/77/58/560197758.db2.gz HAEDNNBXWOZRJM-FUHWJXTLSA-N 2 2 397.950 3.682 40 0 biogenic,in-vitro GHABLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cc1 ZINC000096245631 570224283 /nfs/dbraw/zinc/22/42/83/570224283.db2.gz HAGHCXQFZKADLR-PSWAGMNNSA-N 3 2 375.560 3.715 40 0 GHABLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cc1 ZINC000096245631 570224285 /nfs/dbraw/zinc/22/42/85/570224285.db2.gz HAGHCXQFZKADLR-PSWAGMNNSA-N 3 2 375.560 3.715 40 0 GHABLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cc1 ZINC000096245631 570224287 /nfs/dbraw/zinc/22/42/87/570224287.db2.gz HAGHCXQFZKADLR-PSWAGMNNSA-N 3 2 375.560 3.715 40 0 GHABLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cc1 ZINC000096245631 570224288 /nfs/dbraw/zinc/22/42/88/570224288.db2.gz HAGHCXQFZKADLR-PSWAGMNNSA-N 3 2 375.560 3.715 40 0 GHABLP C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461747 570989034 /nfs/dbraw/zinc/98/90/34/570989034.db2.gz LQCXFSSSFHKZID-NRFANRHFSA-N 2 2 392.547 3.905 40 0 GHABLP C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461747 570989036 /nfs/dbraw/zinc/98/90/36/570989036.db2.gz LQCXFSSSFHKZID-NRFANRHFSA-N 2 2 392.547 3.905 40 0 GHABLP C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461747 570989042 /nfs/dbraw/zinc/98/90/42/570989042.db2.gz LQCXFSSSFHKZID-NRFANRHFSA-N 2 2 392.547 3.905 40 0 GHABLP C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](Cc1ccc3c(c1)CC(C)(C)O3)C2 ZINC000019461747 570989045 /nfs/dbraw/zinc/98/90/45/570989045.db2.gz LQCXFSSSFHKZID-NRFANRHFSA-N 2 2 392.547 3.905 40 0 GHABLP Fc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)c2)cc1 ZINC000019710977 571034795 /nfs/dbraw/zinc/03/47/95/571034795.db2.gz VGHJERBIUBTKBB-FQEVSTJZSA-N 2 2 391.494 3.567 40 0 GHABLP Fc1ccc(-c2cccc(C[N@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)c2)cc1 ZINC000019710977 571034796 /nfs/dbraw/zinc/03/47/96/571034796.db2.gz VGHJERBIUBTKBB-FQEVSTJZSA-N 2 2 391.494 3.567 40 0 GHABLP Cc1ccc(N2CC[NH+](CCC[NH+]3CCN(c4cccc(C)c4)CC3)CC2)cc1 ZINC000002022101 212261831 /nfs/dbraw/zinc/26/18/31/212261831.db2.gz KAIFYSPLOOIVRV-UHFFFAOYSA-N 2 2 392.591 3.638 40 0 GHABLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353263 222237643 /nfs/dbraw/zinc/23/76/43/222237643.db2.gz VBPUHLNUKFNTRN-GOSISDBHSA-N 2 2 381.524 3.576 40 0 GHABLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2ccc(Nc3cccc(C)[nH+]3)cn2)C1 ZINC000072353263 222237645 /nfs/dbraw/zinc/23/76/45/222237645.db2.gz VBPUHLNUKFNTRN-GOSISDBHSA-N 2 2 381.524 3.576 40 0 GHABLP CCNc1cc2c(cc1[NH2+]CC)NC1=CC(=[NH+]CC)C(NCC)=C[C@H]1N2CC ZINC000100643750 535522543 /nfs/dbraw/zinc/52/25/43/535522543.db2.gz QEEUNSVZWHMOFB-OAQYLSRUSA-N 2 2 382.556 3.832 40 0 GHABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000225462872 560043400 /nfs/dbraw/zinc/04/34/00/560043400.db2.gz PWDHBICHBVEKHK-UHFFFAOYSA-N 2 2 377.529 3.608 40 0 biogenic,in-vitro GHABLP C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC000224243151 570505262 /nfs/dbraw/zinc/50/52/62/570505262.db2.gz GTPXLTQTOPRBNK-UHFFFAOYSA-N 2 2 390.487 3.657 40 0 GHABLP COc1ncc(C[N@H+](Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740467 570568644 /nfs/dbraw/zinc/56/86/44/570568644.db2.gz CCMOBFKUFVKDRW-UHFFFAOYSA-N 2 2 386.515 3.936 40 0 GHABLP COc1ncc(C[N@@H+](Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740467 570568645 /nfs/dbraw/zinc/56/86/45/570568645.db2.gz CCMOBFKUFVKDRW-UHFFFAOYSA-N 2 2 386.515 3.936 40 0 GHABLP COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657962 571024296 /nfs/dbraw/zinc/02/42/96/571024296.db2.gz KVFJVQVUCOBAKI-FQEVSTJZSA-N 2 2 376.460 3.657 40 0 GHABLP COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657962 571024298 /nfs/dbraw/zinc/02/42/98/571024298.db2.gz KVFJVQVUCOBAKI-FQEVSTJZSA-N 2 2 376.460 3.657 40 0 GHABLP Fc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)c2)cc1 ZINC000019710976 571034824 /nfs/dbraw/zinc/03/48/24/571034824.db2.gz VGHJERBIUBTKBB-HXUWFJFHSA-N 2 2 391.494 3.567 40 0 GHABLP Fc1ccc(-c2cccc(C[N@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)c2)cc1 ZINC000019710976 571034827 /nfs/dbraw/zinc/03/48/27/571034827.db2.gz VGHJERBIUBTKBB-HXUWFJFHSA-N 2 2 391.494 3.567 40 0 GHABLP C[C@@H]1CCCN(c2ncc(C[N@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cn2)C1 ZINC000019715680 571037384 /nfs/dbraw/zinc/03/73/84/571037384.db2.gz QDZYTGBTPMEHHW-HXUWFJFHSA-N 2 2 393.579 3.809 40 0 GHABLP C[C@@H]1CCCN(c2ncc(C[N@@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cn2)C1 ZINC000019715680 571037388 /nfs/dbraw/zinc/03/73/88/571037388.db2.gz QDZYTGBTPMEHHW-HXUWFJFHSA-N 2 2 393.579 3.809 40 0 GHABLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353264 222237780 /nfs/dbraw/zinc/23/77/80/222237780.db2.gz NNIDNCGOWCWSTK-SFHVURJKSA-N 2 2 381.524 3.576 40 0 GHABLP CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353264 222237782 /nfs/dbraw/zinc/23/77/82/222237782.db2.gz NNIDNCGOWCWSTK-SFHVURJKSA-N 2 2 381.524 3.576 40 0 GHABLP CN(C)c1ncc(C[N@H+](Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740462 570568778 /nfs/dbraw/zinc/56/87/78/570568778.db2.gz WUPZYAVYNGQZNT-UHFFFAOYSA-N 2 2 399.558 3.993 40 0 GHABLP CN(C)c1ncc(C[N@@H+](Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740462 570568779 /nfs/dbraw/zinc/56/87/79/570568779.db2.gz WUPZYAVYNGQZNT-UHFFFAOYSA-N 2 2 399.558 3.993 40 0 GHABLP COc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)cc2c1OCO2 ZINC000043277853 570627295 /nfs/dbraw/zinc/62/72/95/570627295.db2.gz DXLWVXIFSACCHQ-UHFFFAOYSA-N 2 2 397.450 3.852 40 0 GHABLP COc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)cc2c1OCO2 ZINC000043277853 570627297 /nfs/dbraw/zinc/62/72/97/570627297.db2.gz DXLWVXIFSACCHQ-UHFFFAOYSA-N 2 2 397.450 3.852 40 0 GHABLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC(NC(=O)OCC(C)C)C4)CC3)n2c1 ZINC000585103499 570932261 /nfs/dbraw/zinc/93/22/61/570932261.db2.gz PGMFFQBYSABQRH-UHFFFAOYSA-N 2 2 384.524 3.770 40 0 GHABLP Fc1cccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)cc2)c1 ZINC000019711041 571035235 /nfs/dbraw/zinc/03/52/35/571035235.db2.gz GAYRYCUUGIHFEM-FQEVSTJZSA-N 2 2 391.494 3.567 40 0 GHABLP Fc1cccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)cc2)c1 ZINC000019711041 571035237 /nfs/dbraw/zinc/03/52/37/571035237.db2.gz GAYRYCUUGIHFEM-FQEVSTJZSA-N 2 2 391.494 3.567 40 0 GHABLP CCn1c2ccc(-c3c[nH+]cn3CCC[NH+]3CCCCC3)cc2n(CC)c1=O ZINC000019719657 221446682 /nfs/dbraw/zinc/44/66/82/221446682.db2.gz XXJVABQDFDRVGR-UHFFFAOYSA-N 2 2 381.524 3.582 40 0 GHABLP O=C(C[NH+]1CCCC1)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000000823173 570485013 /nfs/dbraw/zinc/48/50/13/570485013.db2.gz BSKNNLFNODFXEN-UHFFFAOYSA-N 2 2 386.499 3.832 40 0 GHABLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2nc3ccccc3[nH]2)cc1 ZINC000043277702 570626248 /nfs/dbraw/zinc/62/62/48/570626248.db2.gz ZSHMOCSPBFSLCE-UHFFFAOYSA-N 2 2 375.476 3.861 40 0 GHABLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2nc3ccccc3[nH]2)cc1 ZINC000043277702 570626250 /nfs/dbraw/zinc/62/62/50/570626250.db2.gz ZSHMOCSPBFSLCE-UHFFFAOYSA-N 2 2 375.476 3.861 40 0 GHABLP CNc1cc(C[N@H+](C)Cc2ccccc2OCC(C)C)nc(C2CC[NH2+]CC2)n1 ZINC000019710173 571034218 /nfs/dbraw/zinc/03/42/18/571034218.db2.gz GBUGNJAJMHVFNZ-UHFFFAOYSA-N 2 2 397.567 3.652 40 0 GHABLP CNc1cc(C[N@@H+](C)Cc2ccccc2OCC(C)C)nc(C2CC[NH2+]CC2)n1 ZINC000019710173 571034223 /nfs/dbraw/zinc/03/42/23/571034223.db2.gz GBUGNJAJMHVFNZ-UHFFFAOYSA-N 2 2 397.567 3.652 40 0 GHABLP