smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CC[NH+]1CCOCC1 ZINC000019589134 571016417 /nfs/dbraw/zinc/01/64/17/571016417.db2.gz VYMXLOFCZIOVNJ-MQSCRBSSSA-N 2 1 385.552 2.578 40 0 GFABMP C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CC[NH+]1CCOCC1 ZINC000019589134 571016421 /nfs/dbraw/zinc/01/64/21/571016421.db2.gz VYMXLOFCZIOVNJ-MQSCRBSSSA-N 2 1 385.552 2.578 40 0 GFABMP COc1ccc(OC)c(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1 ZINC000019590707 571018712 /nfs/dbraw/zinc/01/87/12/571018712.db2.gz GVFOQDFOWASSPZ-UHFFFAOYSA-N 2 1 382.508 2.861 40 0 GFABMP O=C1NCC[C@@]12C[N@@H+](Cc1cccnc1)CC21CC[NH+](Cc2cccs2)CC1 ZINC000096036338 571095956 /nfs/dbraw/zinc/09/59/56/571095956.db2.gz SJJSUWJEDSXIOZ-JOCHJYFZSA-N 2 1 396.560 2.747 40 0 GFABMP CN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000306124826 206197519 /nfs/dbraw/zinc/19/75/19/206197519.db2.gz CAMFJKHBYNKMEX-OAQYLSRUSA-N 2 1 397.519 2.603 40 0 GFABMP COc1cc2c(cc1OC)CN(c1cc(NCC[NH+](C)C)nc(C3CC3)[nH+]1)CC2 ZINC000329043077 570214525 /nfs/dbraw/zinc/21/45/25/570214525.db2.gz SQWGEPPDELHESI-UHFFFAOYSA-N 2 1 397.523 2.907 40 0 GFABMP COc1ccc(C[N@H+]2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c(OC)c1 ZINC000019590475 571018243 /nfs/dbraw/zinc/01/82/43/571018243.db2.gz AVZUHSNKJCQCFY-KRWDZBQOSA-N 2 1 382.508 2.861 40 0 GFABMP COc1ccc(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c(OC)c1 ZINC000019590475 571018245 /nfs/dbraw/zinc/01/82/45/571018245.db2.gz AVZUHSNKJCQCFY-KRWDZBQOSA-N 2 1 382.508 2.861 40 0 GFABMP COc1ccc(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c(OC)c1 ZINC000019590475 571018247 /nfs/dbraw/zinc/01/82/47/571018247.db2.gz AVZUHSNKJCQCFY-KRWDZBQOSA-N 2 1 382.508 2.861 40 0 GFABMP Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1O ZINC000257273134 206171616 /nfs/dbraw/zinc/17/16/16/206171616.db2.gz NFJYIIUMPAQZBV-NJDAHSKKSA-N 2 1 382.508 2.624 40 0 GFABMP CN(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000306124825 206197647 /nfs/dbraw/zinc/19/76/47/206197647.db2.gz CAMFJKHBYNKMEX-NRFANRHFSA-N 2 1 397.519 2.603 40 0 GFABMP CCc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)N4CCC([NH+](C)C)CC4)=NO3)C2)cc1 ZINC000096225679 570220477 /nfs/dbraw/zinc/22/04/77/570220477.db2.gz RYUIMIWCOVBLAJ-HSZRJFAPSA-N 2 1 398.551 2.522 40 0 GFABMP CC(=O)Nc1cccc(OCc2cccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)c2)c1 ZINC000008672818 204283280 /nfs/dbraw/zinc/28/32/80/204283280.db2.gz WHSVABAIBQNZRR-UHFFFAOYSA-N 2 1 380.452 2.829 40 0 GFABMP C[C@H](O)c1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C3CC3)[nH+]1)C2 ZINC000329071800 570216912 /nfs/dbraw/zinc/21/69/12/570216912.db2.gz ZSUDXQOEFSYQAW-HNNXBMFYSA-N 2 1 381.524 2.944 40 0 GFABMP CC[NH+]1CCC(C(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@H]3COC)CC2)CC1 ZINC000248248709 206138684 /nfs/dbraw/zinc/13/86/84/206138684.db2.gz RKHXKYPZNSIPTR-FQEVSTJZSA-N 2 1 379.589 2.561 40 0 GFABMP C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCC[NH+]1CCOCC1 ZINC000019590178 571016986 /nfs/dbraw/zinc/01/69/86/571016986.db2.gz QDDOWJWSEWKEEQ-CQOQZXRMSA-N 2 1 399.579 2.968 40 0 GFABMP C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCC[NH+]1CCOCC1 ZINC000019590178 571016990 /nfs/dbraw/zinc/01/69/90/571016990.db2.gz QDDOWJWSEWKEEQ-CQOQZXRMSA-N 2 1 399.579 2.968 40 0 GFABMP CC(C)c1ccc(C[N@H+]2CC[C@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)cc1 ZINC000096225592 570220502 /nfs/dbraw/zinc/22/05/02/570220502.db2.gz IZJNOFFGHOJYAE-QHCPKHFHSA-N 2 1 398.551 2.743 40 0 GFABMP C[NH+](C)Cc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1 ZINC000012122591 221156001 /nfs/dbraw/zinc/15/60/01/221156001.db2.gz UADJCHPVINUKJR-UHFFFAOYSA-N 2 1 375.476 2.864 40 0 GFABMP Cc1cccc(NC(=O)CCc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)c1 ZINC000016951319 570935787 /nfs/dbraw/zinc/93/57/87/570935787.db2.gz VORVOXAAGXTFNZ-UHFFFAOYSA-N 2 1 378.480 2.752 40 0 GFABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccoc4)CC2)C[N@@H+](C)C3)cc1 ZINC000306138196 206205639 /nfs/dbraw/zinc/20/56/39/206205639.db2.gz RSEFJGZTPAZCQY-UHFFFAOYSA-N 2 1 393.491 2.983 40 0 GFABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccoc4)CC2)C[N@H+](C)C3)cc1 ZINC000306138196 206205641 /nfs/dbraw/zinc/20/56/41/206205641.db2.gz RSEFJGZTPAZCQY-UHFFFAOYSA-N 2 1 393.491 2.983 40 0 GFABMP COc1ccc(-c2coc3cc(OC(=O)[C@H]([NH3+])CCCC[NH3+])ccc3c2=O)cc1 ZINC000032109468 570961338 /nfs/dbraw/zinc/96/13/38/570961338.db2.gz WSXZMNZWXLNIPA-LJQANCHMSA-N 2 1 396.443 2.830 40 0 GFABMP C[NH+](C)CCN1CCC[C@@]2(C[N@@H+](CC3CCCC3)C[C@H]2c2cccnc2)C1=O ZINC000306126556 209097102 /nfs/dbraw/zinc/09/71/02/209097102.db2.gz DYXZHMBAGQZHLE-GMAHTHKFSA-N 2 1 384.568 2.841 40 0 GFABMP COc1cc2c(cc1C[N@@H+]1CCc3nnc([C@@H]4CCC[NH2+]C4)n3CC1)CCCC2 ZINC000072370900 208004896 /nfs/dbraw/zinc/00/48/96/208004896.db2.gz NWVIHVDQOUHBOW-LJQANCHMSA-N 2 1 395.551 2.691 40 0 GFABMP COC(=O)c1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C3CC3)[nH+]1)C2 ZINC000328961946 222806259 /nfs/dbraw/zinc/80/62/59/222806259.db2.gz BFVUEOASJIUHRE-UHFFFAOYSA-N 2 1 395.507 2.677 40 0 GFABMP C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1cccnc1)CC3 ZINC000096036304 208253695 /nfs/dbraw/zinc/25/36/95/208253695.db2.gz OBQZMWNJSRGZGG-NZQKXSOJSA-N 2 1 382.552 2.628 40 0 GFABMP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]CC5)C3)ccc2O1 ZINC000019709238 207151118 /nfs/dbraw/zinc/15/11/18/207151118.db2.gz FTULYDTWVCYYRC-QGZVFWFLSA-N 2 1 381.524 2.517 40 0 GFABMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)cc1 ZINC000096225593 208287871 /nfs/dbraw/zinc/28/78/71/208287871.db2.gz IZJNOFFGHOJYAE-HSZRJFAPSA-N 2 1 398.551 2.743 40 0 GFABMP COCC[N@@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cc(C)on1)CC2 ZINC000585102701 570931106 /nfs/dbraw/zinc/93/11/06/570931106.db2.gz BBGSWBSPXVMBOY-LJQANCHMSA-N 2 1 377.529 2.570 40 0 GFABMP COCC[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cc(C)on1)CC2 ZINC000585102701 570931107 /nfs/dbraw/zinc/93/11/07/570931107.db2.gz BBGSWBSPXVMBOY-LJQANCHMSA-N 2 1 377.529 2.570 40 0 GFABMP O=C1NCC[C@]12C[N@@H+](Cc1cccnc1)CC21CC[NH+](Cc2cccs2)CC1 ZINC000096036339 208254058 /nfs/dbraw/zinc/25/40/58/208254058.db2.gz SJJSUWJEDSXIOZ-QFIPXVFZSA-N 2 1 396.560 2.747 40 0 GFABMP Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CC3(CC[NH+](Cc4ccco4)CC3)O2)cc1 ZINC000306134608 209101222 /nfs/dbraw/zinc/10/12/22/209101222.db2.gz NTMLDRYZCPOYEA-OAQYLSRUSA-N 2 1 397.519 2.570 40 0 GFABMP C[NH+]1CCN(Cc2nc(C3(O)CC[NH+](CC4CCCCC4)CC3)cs2)CC1 ZINC000225471552 560043224 /nfs/dbraw/zinc/04/32/24/560043224.db2.gz RIVSLPZSVJWPBK-UHFFFAOYSA-N 2 1 392.613 2.754 40 0 biogenic,in-vitro GFABMP CN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000306144534 212055513 /nfs/dbraw/zinc/05/55/13/212055513.db2.gz ZICHJTOGLCTLCG-OAQYLSRUSA-N 2 1 397.519 2.603 40 0 GFABMP CCN1CC[C@]2(C[N@@H+](CCOC)CC23CC[NH+](Cc2cccs2)CC3)C1=O ZINC000096036416 211294400 /nfs/dbraw/zinc/29/44/00/211294400.db2.gz VQIRFBDKDJQUIR-NRFANRHFSA-N 2 1 391.581 2.531 40 0 GFABMP CNc1cc(C[N@H+](C)Cc2ccc(N3CCCC3=O)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760678 570888670 /nfs/dbraw/zinc/88/86/70/570888670.db2.gz NPQYPRMCDZKCJD-LJQANCHMSA-N 2 1 394.523 2.702 40 0 GFABMP CNc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3=O)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760678 570888673 /nfs/dbraw/zinc/88/86/73/570888673.db2.gz NPQYPRMCDZKCJD-LJQANCHMSA-N 2 1 394.523 2.702 40 0 GFABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccco4)CC2)C[N@@H+](C)C3)cc1 ZINC000306125884 212045664 /nfs/dbraw/zinc/04/56/64/212045664.db2.gz DEQQHJZDDAYIGK-UHFFFAOYSA-N 2 1 393.491 2.983 40 0 GFABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccco4)CC2)C[N@H+](C)C3)cc1 ZINC000306125884 212045667 /nfs/dbraw/zinc/04/56/67/212045667.db2.gz DEQQHJZDDAYIGK-UHFFFAOYSA-N 2 1 393.491 2.983 40 0 GFABMP C[NH+]1CCN(CC(C)(C)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)CC1 ZINC000022926495 570336073 /nfs/dbraw/zinc/33/60/73/570336073.db2.gz MDQRYZVMQQUSMX-TYABSZSSSA-N 2 1 389.559 2.914 40 0 GFABMP CN(C)C(=O)NC[C@@H]1[N@@H+](Cc2cccc(F)c2)CCCC12CC[NH+](C)CC2 ZINC000306145143 212056802 /nfs/dbraw/zinc/05/68/02/212056802.db2.gz ZZIUAFUJSSIKKK-IBGZPJMESA-N 2 1 376.520 2.773 40 0 GFABMP CCN1CC[C@]2(C[N@@H+](CCOC)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000097952883 211373924 /nfs/dbraw/zinc/37/39/24/211373924.db2.gz ZVYMVEFKYGZXTA-NRFANRHFSA-N 2 1 391.581 2.531 40 0 GFABMP COc1cccc2cc(C[N@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]CC5)C3)oc21 ZINC000019709361 210284276 /nfs/dbraw/zinc/28/42/76/210284276.db2.gz LOSDNVLBUCQWIC-MRXNPFEDSA-N 2 1 381.480 2.558 40 0 GFABMP COc1ccccc1C(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019698278 210282552 /nfs/dbraw/zinc/28/25/52/210282552.db2.gz KCXRHBBBKIXRSE-LJQANCHMSA-N 2 1 380.492 2.786 40 0 GFABMP C[NH+](C)CCN1CCC[C@@]2(C[N@@H+](CC3CCCC3)C[C@@H]2c2cccnc2)C1=O ZINC000306126555 212045555 /nfs/dbraw/zinc/04/55/55/212045555.db2.gz DYXZHMBAGQZHLE-GGAORHGYSA-N 2 1 384.568 2.841 40 0 GFABMP CCN(C(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000019663338 210279311 /nfs/dbraw/zinc/27/93/11/210279311.db2.gz ZITZYXURRSCZSA-UHFFFAOYSA-N 2 1 397.567 2.965 40 0 GFABMP CN(C)C(=O)NC[C@H]1[N@@H+](Cc2cccc(F)c2)CCCC12CC[NH+](C)CC2 ZINC000306145144 212056231 /nfs/dbraw/zinc/05/62/31/212056231.db2.gz ZZIUAFUJSSIKKK-LJQANCHMSA-N 2 1 376.520 2.773 40 0 GFABMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1O ZINC000257227324 212007606 /nfs/dbraw/zinc/00/76/06/212007606.db2.gz FOTKGWZKGKNXKL-NJDAHSKKSA-N 2 1 382.508 2.672 40 0 GFABMP C[NH+](C)Cc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1 ZINC000012121812 221155020 /nfs/dbraw/zinc/15/50/20/221155020.db2.gz GLUVJIKEUFNRSF-UHFFFAOYSA-N 2 1 375.476 2.864 40 0 GFABMP CC(C)[NH2+]C[C@H]1O[C@H](Cc2cc(C[N@H+](C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000096268993 560054301 /nfs/dbraw/zinc/05/43/01/560054301.db2.gz FRXBYCFMJWNSRC-ILWGZMRPSA-N 2 1 387.524 2.756 40 0 biogenic,in-vitro GFABMP CC(C)[NH2+]C[C@H]1O[C@H](Cc2cc(C[N@@H+](C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000096268993 560054302 /nfs/dbraw/zinc/05/43/02/560054302.db2.gz FRXBYCFMJWNSRC-ILWGZMRPSA-N 2 1 387.524 2.756 40 0 biogenic,in-vitro GFABMP C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000019587630 570927831 /nfs/dbraw/zinc/92/78/31/570927831.db2.gz POVDKCYQDGQFBZ-YRISNDGFSA-N 2 1 389.515 2.833 40 0 GFABMP c1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc5n4CC[NH2+]CC5)C3)cc2)nc1 ZINC000019709366 210283952 /nfs/dbraw/zinc/28/39/52/210283952.db2.gz JKCZQEUQQJZGMJ-FQEVSTJZSA-N 2 1 388.519 2.865 40 0 GFABMP CC(=O)Nc1ccc(C[NH2+]C2(Cc3cc(C[NH+]4CCCCC4)on3)COC2)cc1 ZINC000072321964 222225816 /nfs/dbraw/zinc/22/58/16/222225816.db2.gz LLWJSMXJRWETTP-UHFFFAOYSA-N 2 1 398.507 2.720 40 0 biogenic,in-vitro GFABMP CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)n1 ZINC000257321983 570781472 /nfs/dbraw/zinc/78/14/72/570781472.db2.gz WEDUJNOCEOSWOW-LJQANCHMSA-N 2 1 390.491 2.678 40 0 GFABMP COc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc1C[NH+](C)C ZINC000019583405 571014044 /nfs/dbraw/zinc/01/40/44/571014044.db2.gz CCMXXNQSHNQRIP-SFHVURJKSA-N 2 1 396.535 2.639 40 0 GFABMP COc1cccc(C[N@H+]2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c1OC ZINC000019590477 571018092 /nfs/dbraw/zinc/01/80/92/571018092.db2.gz NJRRSKNSKIPXSK-KRWDZBQOSA-N 2 1 382.508 2.861 40 0 GFABMP COc1cccc(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1OC ZINC000019590477 571018095 /nfs/dbraw/zinc/01/80/95/571018095.db2.gz NJRRSKNSKIPXSK-KRWDZBQOSA-N 2 1 382.508 2.861 40 0 GFABMP COc1cccc(C[NH+]2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1OC ZINC000019590477 571018097 /nfs/dbraw/zinc/01/80/97/571018097.db2.gz NJRRSKNSKIPXSK-KRWDZBQOSA-N 2 1 382.508 2.861 40 0 GFABMP CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000097952884 570261451 /nfs/dbraw/zinc/26/14/51/570261451.db2.gz ZVYMVEFKYGZXTA-OAQYLSRUSA-N 2 1 391.581 2.531 40 0 GFABMP COc1ccc(C[N@H+]2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c(OC)c1 ZINC000019590474 571018176 /nfs/dbraw/zinc/01/81/76/571018176.db2.gz AVZUHSNKJCQCFY-QGZVFWFLSA-N 2 1 382.508 2.861 40 0 GFABMP COc1ccc(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c(OC)c1 ZINC000019590474 571018179 /nfs/dbraw/zinc/01/81/79/571018179.db2.gz AVZUHSNKJCQCFY-QGZVFWFLSA-N 2 1 382.508 2.861 40 0 GFABMP COc1ccc(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c(OC)c1 ZINC000019590474 571018181 /nfs/dbraw/zinc/01/81/81/571018181.db2.gz AVZUHSNKJCQCFY-QGZVFWFLSA-N 2 1 382.508 2.861 40 0 GFABMP COc1cc2c(cc1C[N@@H+]1CCc3nnc([C@@H]4CCCC[NH2+]4)n3CC1)CCC2 ZINC000072372826 222242314 /nfs/dbraw/zinc/24/23/14/222242314.db2.gz CPDXJQCAHUAOFK-IBGZPJMESA-N 2 1 381.524 2.648 40 0 GFABMP CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CC[NH+](CC2CC2)CC3)C1=O ZINC000096036480 222373162 /nfs/dbraw/zinc/37/31/62/222373162.db2.gz NMBRYCGTPXZXMP-QHCPKHFHSA-N 2 1 382.552 2.628 40 0 GFABMP CC[NH+]1CCC(C(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@@H]3COC)CC2)CC1 ZINC000248248711 570722285 /nfs/dbraw/zinc/72/22/85/570722285.db2.gz RKHXKYPZNSIPTR-HXUWFJFHSA-N 2 1 379.589 2.561 40 0 GFABMP c1cc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)n(-c2cc[nH+]cc2)c1 ZINC000019338594 570976561 /nfs/dbraw/zinc/97/65/61/570976561.db2.gz ZCMYJKBDJCRSBV-UHFFFAOYSA-N 2 1 391.519 2.992 40 0 GFABMP c1cc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)n(-c2cc[nH+]cc2)c1 ZINC000019338594 570976562 /nfs/dbraw/zinc/97/65/62/570976562.db2.gz ZCMYJKBDJCRSBV-UHFFFAOYSA-N 2 1 391.519 2.992 40 0 GFABMP CNc1cc(C[N@H+](C)Cc2ccc(N3CCCC3=O)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760675 570888751 /nfs/dbraw/zinc/88/87/51/570888751.db2.gz NPQYPRMCDZKCJD-IBGZPJMESA-N 2 1 394.523 2.702 40 0 GFABMP CNc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3=O)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760675 570888752 /nfs/dbraw/zinc/88/87/52/570888752.db2.gz NPQYPRMCDZKCJD-IBGZPJMESA-N 2 1 394.523 2.702 40 0 GFABMP COC[C@H](C)NC(=O)C[NH+]1CCC(c2cc(Nc3ccccn3)cc(C)[nH+]2)CC1 ZINC000257259805 570771477 /nfs/dbraw/zinc/77/14/77/570771477.db2.gz LACUKZXPOVJESI-KRWDZBQOSA-N 2 1 397.523 2.859 40 0 GFABMP C[NH2+]CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@H+]2Cc1ccccc1 ZINC000585172748 570997839 /nfs/dbraw/zinc/99/78/39/570997839.db2.gz DMLINYHGRJDFJG-DNVJHFABSA-N 2 1 393.531 2.731 40 0 GFABMP Fc1ccc(C[N@H+]2C[C@@H]3Cc4cnc(NCC[NH+]5CCCC5)nc4[C@H]3C2)cc1 ZINC000306130605 206202070 /nfs/dbraw/zinc/20/20/70/206202070.db2.gz JKUMCOQTDNWRFT-ICSRJNTNSA-N 2 1 381.499 2.895 40 0 GFABMP CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CC[NH+](CC2CC2)CC3)C1=O ZINC000096036481 571096488 /nfs/dbraw/zinc/09/64/88/571096488.db2.gz NMBRYCGTPXZXMP-HSZRJFAPSA-N 2 1 382.552 2.628 40 0 GFABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306131677 206201627 /nfs/dbraw/zinc/20/16/27/206201627.db2.gz KLZYHLPAGNCKCZ-UHFFFAOYSA-N 2 1 392.482 2.916 40 0 GFABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306131677 206201632 /nfs/dbraw/zinc/20/16/32/206201632.db2.gz KLZYHLPAGNCKCZ-UHFFFAOYSA-N 2 1 392.482 2.916 40 0 GFABMP CC1CCN(C(=O)C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCCN23)CC1 ZINC000019496708 570990063 /nfs/dbraw/zinc/99/00/63/570990063.db2.gz MBJDTBOURXYOLP-UHFFFAOYSA-N 2 1 395.551 2.615 40 0 GFABMP COc1ccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1OC ZINC000019590710 571018580 /nfs/dbraw/zinc/01/85/80/571018580.db2.gz GQYFGXIJQDBLDN-UHFFFAOYSA-N 2 1 382.508 2.861 40 0 GFABMP CN(C)C(=O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc12 ZINC000096242428 570222708 /nfs/dbraw/zinc/22/27/08/570222708.db2.gz HCGVSKYATYYDAD-UHFFFAOYSA-N 2 1 378.520 2.519 40 0 GFABMP COc1c2c(cc3c1[C@H](Cc1cc(N)c4ccccc4[n+]1C)[N@@H+](C)CC3)OCO2 ZINC000020112709 570941188 /nfs/dbraw/zinc/94/11/88/570941188.db2.gz XEPPVVCGCAFDLT-IBGZPJMESA-O 2 1 392.479 2.756 40 0 GFABMP COc1cccc2cc(C[N@H+]3CCC[C@H](c4nnc5n4CC[NH2+]CC5)C3)oc21 ZINC000019709362 571034286 /nfs/dbraw/zinc/03/42/86/571034286.db2.gz LOSDNVLBUCQWIC-INIZCTEOSA-N 2 1 381.480 2.558 40 0 GFABMP COC(=O)c1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C(C)C)[nH+]1)C2 ZINC000329014362 570212496 /nfs/dbraw/zinc/21/24/96/570212496.db2.gz MVDMPUMVBQAVMW-UHFFFAOYSA-N 2 1 397.523 2.923 40 0 GFABMP COCC[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cc(C)on1)CC2 ZINC000585102697 570931036 /nfs/dbraw/zinc/93/10/36/570931036.db2.gz BBGSWBSPXVMBOY-IBGZPJMESA-N 2 1 377.529 2.570 40 0 GFABMP COCC[N@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cc(C)on1)CC2 ZINC000585102697 570931038 /nfs/dbraw/zinc/93/10/38/570931038.db2.gz BBGSWBSPXVMBOY-IBGZPJMESA-N 2 1 377.529 2.570 40 0 GFABMP C[NH+]1CCN(c2cc(C(=O)Nc3ccccc3C[NH+]3CCCC3)ccn2)CC1 ZINC000019662566 571026523 /nfs/dbraw/zinc/02/65/23/571026523.db2.gz SSSBTVZMUAPJIL-UHFFFAOYSA-N 2 1 379.508 2.682 40 0 GFABMP COc1c(C)cccc1C[N@H+]1CC[C@@H](c2nn(CC[NH+](C)C)c3nccnc23)C1 ZINC000072391697 205341437 /nfs/dbraw/zinc/34/14/37/205341437.db2.gz NEYXBAIFEAIWHS-QGZVFWFLSA-N 2 1 394.523 2.694 40 0 GFABMP C[NH+](C)CCN1CCC[C@]2(C[N@@H+](CC3CCCC3)C[C@H]2c2cccnc2)C1=O ZINC000306126557 206196686 /nfs/dbraw/zinc/19/66/86/206196686.db2.gz DYXZHMBAGQZHLE-JTHBVZDNSA-N 2 1 384.568 2.841 40 0 GFABMP COc1cc2c(cc1C[N@@H+]1CCc3nnc([C@H]4CCC[NH2+]C4)n3CC1)CCCC2 ZINC000072370901 205335519 /nfs/dbraw/zinc/33/55/19/205335519.db2.gz NWVIHVDQOUHBOW-IBGZPJMESA-N 2 1 395.551 2.691 40 0 GFABMP COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)C[NH+]4CCCCCC4)C[C@@H]32)cc1 ZINC000257235909 206165331 /nfs/dbraw/zinc/16/53/31/206165331.db2.gz HABDXYSVQAKTFA-YPAWHYETSA-N 2 1 385.552 2.817 40 0 GFABMP Fc1ccc(C[N@@H+]2C[C@@H]3c4nc(NCC[NH+]5CCCC5)ncc4C[C@@H]3C2)cc1 ZINC000306130606 206201313 /nfs/dbraw/zinc/20/13/13/206201313.db2.gz JKUMCOQTDNWRFT-QUCCMNQESA-N 2 1 381.499 2.895 40 0 GFABMP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306134869 206203498 /nfs/dbraw/zinc/20/34/98/206203498.db2.gz OAGZKBAWZRCTPK-UHFFFAOYSA-N 2 1 393.491 2.983 40 0 GFABMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306134869 206203503 /nfs/dbraw/zinc/20/35/03/206203503.db2.gz OAGZKBAWZRCTPK-UHFFFAOYSA-N 2 1 393.491 2.983 40 0 GFABMP COc1ccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c(OC)c1 ZINC000019590712 571018739 /nfs/dbraw/zinc/01/87/39/571018739.db2.gz HZSYGPANYUKWCD-UHFFFAOYSA-N 2 1 382.508 2.861 40 0 GFABMP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2 ZINC000096055962 208257296 /nfs/dbraw/zinc/25/72/96/208257296.db2.gz QUTRXEHLCDIKSI-PXNSSMCTSA-N 2 1 380.554 2.780 40 0 GFABMP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2 ZINC000096055962 208257307 /nfs/dbraw/zinc/25/73/07/208257307.db2.gz QUTRXEHLCDIKSI-PXNSSMCTSA-N 2 1 380.554 2.780 40 0 GFABMP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096055962 208257312 /nfs/dbraw/zinc/25/73/12/208257312.db2.gz QUTRXEHLCDIKSI-PXNSSMCTSA-N 2 1 380.554 2.780 40 0 GFABMP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096055962 208257316 /nfs/dbraw/zinc/25/73/16/208257316.db2.gz QUTRXEHLCDIKSI-PXNSSMCTSA-N 2 1 380.554 2.780 40 0 GFABMP CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3c4cc[nH]c4ncc3Cl)O2)C1 ZINC000248168178 209029602 /nfs/dbraw/zinc/02/96/02/209029602.db2.gz PWBFMKYYXXPIRE-FOIQADDNSA-N 2 1 392.931 2.964 40 0 GFABMP COC(=O)c1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)cc1 ZINC000019592538 207144530 /nfs/dbraw/zinc/14/45/30/207144530.db2.gz SYFJWWIGAKXOES-UHFFFAOYSA-N 2 1 390.487 2.953 40 0 GFABMP Cc1nc2cc(NC(=O)C[N@@H+]3CCC[C@H](Cn4cc[nH+]c4C)C3)ccc2n1C ZINC000019658009 207144903 /nfs/dbraw/zinc/14/49/03/207144903.db2.gz UECZSHHQJNQWLE-KRWDZBQOSA-N 2 1 380.496 2.737 40 0 GFABMP Cc1nc2cc(NC(=O)C[N@H+]3CCC[C@H](Cn4cc[nH+]c4C)C3)ccc2n1C ZINC000019658009 207144908 /nfs/dbraw/zinc/14/49/08/207144908.db2.gz UECZSHHQJNQWLE-KRWDZBQOSA-N 2 1 380.496 2.737 40 0 GFABMP CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CC[NH+](Cc2cccs2)CC3)C1=O ZINC000096036417 208253183 /nfs/dbraw/zinc/25/31/83/208253183.db2.gz VQIRFBDKDJQUIR-OAQYLSRUSA-N 2 1 391.581 2.531 40 0 GFABMP Nc1nc2c(c(N)n1)C[C@@]1(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C1)O2 ZINC000257237290 570766979 /nfs/dbraw/zinc/76/69/79/570766979.db2.gz HFWDAXNWJIEMPK-HSZRJFAPSA-N 2 1 387.487 2.853 40 0 GFABMP CCc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)N4CCC([NH+](C)C)CC4)=NO3)C2)cc1 ZINC000096225678 208288195 /nfs/dbraw/zinc/28/81/95/208288195.db2.gz RYUIMIWCOVBLAJ-QHCPKHFHSA-N 2 1 398.551 2.522 40 0 GFABMP CCOCCOc1ccc(C[N@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000585270291 570239401 /nfs/dbraw/zinc/23/94/01/570239401.db2.gz SWNOMQMBBSDXHO-FQEVSTJZSA-N 2 1 398.494 2.770 40 0 GFABMP CC(=O)N1CCO[C@]2(CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000063527700 209125394 /nfs/dbraw/zinc/12/53/94/209125394.db2.gz AWVHDRAHUWBPBH-QHCPKHFHSA-N 2 1 385.552 2.612 40 0 GFABMP CNc1cc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)nc(C2CC[NH2+]CC2)n1 ZINC000019710119 207152900 /nfs/dbraw/zinc/15/29/00/207152900.db2.gz LGQBOTHUXMGLIG-UHFFFAOYSA-N 2 1 385.512 2.635 40 0 GFABMP CNc1cc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)nc(C2CC[NH2+]CC2)n1 ZINC000019710119 207152904 /nfs/dbraw/zinc/15/29/04/207152904.db2.gz LGQBOTHUXMGLIG-UHFFFAOYSA-N 2 1 385.512 2.635 40 0 GFABMP C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C3CC3)[nH+]1)C2 ZINC000329071803 206244454 /nfs/dbraw/zinc/24/44/54/206244454.db2.gz ZSUDXQOEFSYQAW-OAHLLOKOSA-N 2 1 381.524 2.944 40 0 GFABMP Cc1[nH+]ccn1CC1(O)CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019287950 207113900 /nfs/dbraw/zinc/11/39/00/207113900.db2.gz XQCFVWHLALSNEB-UHFFFAOYSA-N 3 1 382.552 2.931 40 0 GFABMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CC[C@@]2(COCC[N@H+](C(C)C)C2)O1 ZINC000248156274 209029190 /nfs/dbraw/zinc/02/91/90/209029190.db2.gz IQNBXMKHZHCZIZ-NFBKMPQASA-N 2 1 399.535 2.991 40 0 GFABMP COc1c(C)cccc1C[N@H+]1CC[C@H](c2nn(CC[NH+](C)C)c3nccnc23)C1 ZINC000072391696 222248548 /nfs/dbraw/zinc/24/85/48/222248548.db2.gz NEYXBAIFEAIWHS-KRWDZBQOSA-N 2 1 394.523 2.694 40 0 GFABMP Fc1ccc(C[N@H+]2C[C@H]3Cc4cnc(NCC[NH+]5CCCC5)nc4[C@@H]3C2)cc1 ZINC000306130607 209099628 /nfs/dbraw/zinc/09/96/28/209099628.db2.gz JKUMCOQTDNWRFT-UYAOXDASSA-N 2 1 381.499 2.895 40 0 GFABMP COc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)cc1CO ZINC000012086109 570606268 /nfs/dbraw/zinc/60/62/68/570606268.db2.gz JGBCCUMDVZEZDZ-UHFFFAOYSA-N 2 1 392.503 2.668 40 0 GFABMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](C[C@H]2CCOC2)Cc2ccccc23)cn1 ZINC000096242586 211323133 /nfs/dbraw/zinc/32/31/33/211323133.db2.gz GAYDPIXQLSFCSK-LJQANCHMSA-N 2 1 380.536 2.806 40 0 GFABMP c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]CC5)C3)cc2)nc1 ZINC000019709365 210284707 /nfs/dbraw/zinc/28/47/07/210284707.db2.gz JKCZQEUQQJZGMJ-HXUWFJFHSA-N 2 1 388.519 2.865 40 0 GFABMP COc1c2c(cc3c1[C@@H](Cc1cc(N)c4ccccc4[n+]1C)[N@@H+](C)CC3)OCO2 ZINC000020112712 570941202 /nfs/dbraw/zinc/94/12/02/570941202.db2.gz XEPPVVCGCAFDLT-LJQANCHMSA-O 2 1 392.479 2.756 40 0 GFABMP Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1O ZINC000257323989 212026291 /nfs/dbraw/zinc/02/62/91/212026291.db2.gz WMSBXZVRXXOEAH-NJDAHSKKSA-N 2 1 382.508 2.672 40 0 GFABMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2Cc3ccccc3C2)[C@H]1O ZINC000257337673 212027337 /nfs/dbraw/zinc/02/73/37/212027337.db2.gz YTWTXSJOJFHXHL-KCZVDYSFSA-N 2 1 382.508 2.558 40 0 GFABMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4nnc5n4CC[NH2+]CC5)C3)ccc2O1 ZINC000019709239 210283105 /nfs/dbraw/zinc/28/31/05/210283105.db2.gz FTULYDTWVCYYRC-KRWDZBQOSA-N 2 1 381.524 2.517 40 0 GFABMP COc1cccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1OC ZINC000019590720 210273869 /nfs/dbraw/zinc/27/38/69/210273869.db2.gz WAHNQTYJALCZHE-UHFFFAOYSA-N 2 1 382.508 2.861 40 0 GFABMP COc1cccc(C[N@H+]2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c1OC ZINC000019590476 210273190 /nfs/dbraw/zinc/27/31/90/210273190.db2.gz NJRRSKNSKIPXSK-QGZVFWFLSA-N 2 1 382.508 2.861 40 0 GFABMP COc1cccc(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1OC ZINC000019590476 210273194 /nfs/dbraw/zinc/27/31/94/210273194.db2.gz NJRRSKNSKIPXSK-QGZVFWFLSA-N 2 1 382.508 2.861 40 0 GFABMP COc1cccc(C[NH+]2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1OC ZINC000019590476 210273198 /nfs/dbraw/zinc/27/31/98/210273198.db2.gz NJRRSKNSKIPXSK-QGZVFWFLSA-N 2 1 382.508 2.861 40 0 GFABMP COc1cc2c(c(-c3c(O)c(OC)cc4c3C[N@@H+](C)CC4)c1O)C[NH+](C)CC2 ZINC000001719347 209337497 /nfs/dbraw/zinc/33/74/97/209337497.db2.gz IGKVQCQCYJDVAM-UHFFFAOYSA-N 2 1 384.476 2.758 40 0 GFABMP COc1cc2c(cc1C[N@@H+]1CCc3nnc([C@H]4CCCC[NH2+]4)n3CC1)CCC2 ZINC000072372827 211103577 /nfs/dbraw/zinc/10/35/77/211103577.db2.gz CPDXJQCAHUAOFK-LJQANCHMSA-N 2 1 381.524 2.648 40 0 GFABMP CN(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000306144533 212054687 /nfs/dbraw/zinc/05/46/87/212054687.db2.gz ZICHJTOGLCTLCG-NRFANRHFSA-N 2 1 397.519 2.603 40 0 GFABMP Fc1ccc(C[N@H+]2C[C@@H]3Cc4cnc(NCC[NH+]5CCCC5)nc4[C@@H]3C2)cc1 ZINC000306130604 212047010 /nfs/dbraw/zinc/04/70/10/212047010.db2.gz JKUMCOQTDNWRFT-AZUAARDMSA-N 2 1 381.499 2.895 40 0 GFABMP Cc1noc(C)c1C[N@H+]1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096242424 211322896 /nfs/dbraw/zinc/32/28/96/211322896.db2.gz RSCRKKKPVRAXSC-UHFFFAOYSA-N 2 1 396.535 2.729 40 0 GFABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657946 210276703 /nfs/dbraw/zinc/27/67/03/210276703.db2.gz VTMWOZNBGLERHD-GOSISDBHSA-N 2 1 378.480 2.728 40 0 GFABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657946 210276709 /nfs/dbraw/zinc/27/67/09/210276709.db2.gz VTMWOZNBGLERHD-GOSISDBHSA-N 2 1 378.480 2.728 40 0 GFABMP C[NH+]1CCN(CC(C)(C)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)CC1 ZINC000022926491 570336136 /nfs/dbraw/zinc/33/61/36/570336136.db2.gz XAVACSPPZPMQFP-LIMIJEPZSA-N 2 1 389.559 2.914 40 0 GFABMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](C[C@@H]2CCOC2)Cc2ccccc23)cn1 ZINC000096242585 211322445 /nfs/dbraw/zinc/32/24/45/211322445.db2.gz GAYDPIXQLSFCSK-IBGZPJMESA-N 2 1 380.536 2.806 40 0 GFABMP CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096055938 211298412 /nfs/dbraw/zinc/29/84/12/211298412.db2.gz YZFSTEANZWLOHX-RXVVDRJESA-N 2 1 393.597 2.695 40 0 GFABMP Nc1nc2c(c(N)n1)C[C@]1(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C1)O2 ZINC000257237291 570767049 /nfs/dbraw/zinc/76/70/49/570767049.db2.gz HFWDAXNWJIEMPK-QHCPKHFHSA-N 2 1 387.487 2.853 40 0 GFABMP COc1ccccc1C(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCC[NH2+]3)c2)CC1 ZINC000019698277 571030571 /nfs/dbraw/zinc/03/05/71/571030571.db2.gz KCXRHBBBKIXRSE-IBGZPJMESA-N 2 1 380.492 2.786 40 0 GFABMP CC(C)[N@@H+]1CCc2c(c(=O)nc3n2CCC32CC[NH+](Cc3ccco3)CC2)C1 ZINC000306139956 570944272 /nfs/dbraw/zinc/94/42/72/570944272.db2.gz UFFQECUEUDUKPB-UHFFFAOYSA-N 2 1 382.508 2.540 40 0 GFABMP CC(C)[N@H+]1CCc2c(c(=O)nc3n2CCC32CC[NH+](Cc3ccco3)CC2)C1 ZINC000306139956 570944274 /nfs/dbraw/zinc/94/42/74/570944274.db2.gz UFFQECUEUDUKPB-UHFFFAOYSA-N 2 1 382.508 2.540 40 0 GFABMP CCc1[nH+]ccn1CC(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019523485 570995977 /nfs/dbraw/zinc/99/59/77/570995977.db2.gz NRHJDJFQQZVERP-UHFFFAOYSA-N 2 1 382.508 2.768 40 0 GFABMP COc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc1C[NH+](C)C ZINC000019583402 571014160 /nfs/dbraw/zinc/01/41/60/571014160.db2.gz CCMXXNQSHNQRIP-GOSISDBHSA-N 2 1 396.535 2.639 40 0 GFABMP COc1ccc(C[NH+]2CCC3(CC[C@@]4(C(=O)N(C)C)C[N@@H+](C)C[C@@H]34)CC2)cc1 ZINC000096036287 222372541 /nfs/dbraw/zinc/37/25/41/222372541.db2.gz ALVDPHUFJVGMLV-NZQKXSOJSA-N 2 1 385.552 2.707 40 0 GFABMP C[NH+](C)CCN1CCC[C@]2(C[N@@H+](CC3CCCC3)C[C@@H]2c2cccnc2)C1=O ZINC000306126554 570937297 /nfs/dbraw/zinc/93/72/97/570937297.db2.gz DYXZHMBAGQZHLE-FYYLOGMGSA-N 2 1 384.568 2.841 40 0 GFABMP COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cc(Nc3ccccn3)cc(C)[nH+]2)CC1 ZINC000257259806 570771507 /nfs/dbraw/zinc/77/15/07/570771507.db2.gz LACUKZXPOVJESI-QGZVFWFLSA-N 2 1 397.523 2.859 40 0 GFABMP Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH+](Cc4ccco4)CC3)O2)cc1 ZINC000306134607 570941592 /nfs/dbraw/zinc/94/15/92/570941592.db2.gz NTMLDRYZCPOYEA-NRFANRHFSA-N 2 1 397.519 2.570 40 0 GFABMP Cc1nc2cc(NC(=O)C[N@@H+]3CCC[C@@H](Cn4cc[nH+]c4C)C3)ccc2n1C ZINC000019658007 571024450 /nfs/dbraw/zinc/02/44/50/571024450.db2.gz UECZSHHQJNQWLE-QGZVFWFLSA-N 2 1 380.496 2.737 40 0 GFABMP Cc1nc2cc(NC(=O)C[N@H+]3CCC[C@@H](Cn4cc[nH+]c4C)C3)ccc2n1C ZINC000019658007 571024452 /nfs/dbraw/zinc/02/44/52/571024452.db2.gz UECZSHHQJNQWLE-QGZVFWFLSA-N 2 1 380.496 2.737 40 0 GFABMP C[N@H+](Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NC2CC2)no1)Cc1ccccc1 ZINC000015673533 221339181 /nfs/dbraw/zinc/33/91/81/221339181.db2.gz KHKSGHZDUGPQFZ-OALUTQOASA-N 2 1 396.535 2.744 40 0 biogenic,in-vitro GFABMP C[N@@H+](Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NC2CC2)no1)Cc1ccccc1 ZINC000015673533 221339183 /nfs/dbraw/zinc/33/91/83/221339183.db2.gz KHKSGHZDUGPQFZ-OALUTQOASA-N 2 1 396.535 2.744 40 0 biogenic,in-vitro GFABMP C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1nccs1)CC3 ZINC000096036301 222372492 /nfs/dbraw/zinc/37/24/92/222372492.db2.gz BGIIIXVMHRUEJJ-LAUBAEHRSA-N 2 1 388.581 2.690 40 0 GFABMP C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1nccs1)CC3 ZINC000096036301 222372496 /nfs/dbraw/zinc/37/24/96/222372496.db2.gz BGIIIXVMHRUEJJ-LAUBAEHRSA-N 2 1 388.581 2.690 40 0 GFABMP CCOCCOc1ccc(C[N@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000585270293 570239388 /nfs/dbraw/zinc/23/93/88/570239388.db2.gz SWNOMQMBBSDXHO-HXUWFJFHSA-N 2 1 398.494 2.770 40 0 GFABMP CC(=O)N1CCO[C@@]2(CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000063527701 222067696 /nfs/dbraw/zinc/06/76/96/222067696.db2.gz AWVHDRAHUWBPBH-HSZRJFAPSA-N 2 1 385.552 2.612 40 0 GFABMP CN1CC[NH+](CC(C)(C)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)CC1 ZINC000023247765 570392313 /nfs/dbraw/zinc/39/23/13/570392313.db2.gz IBJAIWTUDTZJGL-GOTSBHOMSA-N 2 1 384.612 2.651 40 0 GFABMP COc1ccc2[nH]cc(C[NH2+]C[C@H]3CC[C@@]4(COCC[N@H+](C(C)C)C4)O3)c2c1 ZINC000248140707 570720985 /nfs/dbraw/zinc/72/09/85/570720985.db2.gz BXAIKWSMRRCSFV-DENIHFKCSA-N 2 1 387.524 2.925 40 0 GFABMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657948 571024569 /nfs/dbraw/zinc/02/45/69/571024569.db2.gz VTMWOZNBGLERHD-SFHVURJKSA-N 2 1 378.480 2.728 40 0 GFABMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657948 571024571 /nfs/dbraw/zinc/02/45/71/571024571.db2.gz VTMWOZNBGLERHD-SFHVURJKSA-N 2 1 378.480 2.728 40 0 GFABMP