smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@@H+](CCCCc2ccc3c(c2)sc(=O)n3C)C[C@H](C)N1 ZINC000022924654 202094727 /nfs/dbraw/zinc/09/47/27/202094727.db2.gz WWHQUUWBFSSVDA-OKILXGFUSA-N 1 1 333.501 2.605 1 0 EFAFMO C[C@@H]1C[N@H+](CCCCc2ccc3c(c2)sc(=O)n3C)C[C@H](C)N1 ZINC000022924654 202094731 /nfs/dbraw/zinc/09/47/31/202094731.db2.gz WWHQUUWBFSSVDA-OKILXGFUSA-N 1 1 333.501 2.605 1 0 EFAFMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)n1c(=O)[nH]c3cc(Cl)ccc31)C2 ZINC000026183871 202139921 /nfs/dbraw/zinc/13/99/21/202139921.db2.gz FKIRGFXYRHEVRW-FOSCPWQOSA-N 1 1 335.791 2.593 1 0 EFAFMO CN1C[C@@H](CC[N@@H+](C)Cc2ccccc2)Oc2ncccc2C1=S ZINC000026289978 202141557 /nfs/dbraw/zinc/14/15/57/202141557.db2.gz GESBGOFEUVFRCN-MRXNPFEDSA-N 1 1 341.480 2.972 1 0 EFAFMO CCC(=O)Nc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)OC)[N@H+]3C)cc1 ZINC000026665020 202146220 /nfs/dbraw/zinc/14/62/20/202146220.db2.gz NJRKQUXFDHDYET-MUQADHOPSA-N 1 1 330.428 2.774 1 0 EFAFMO COc1ccc2c3c1O[C@H]1[C@H](O)C(C)(C)[C@H](C)[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000027764581 202160904 /nfs/dbraw/zinc/16/09/04/202160904.db2.gz JXAPKKGKSNRZHO-HIGOZJKUSA-N 1 1 343.467 2.607 1 0 EFAFMO c1ccc2c(c1)CCCc1cc(NCCC[NH+]3CCOCC3)nnc1-2 ZINC000027982540 202162485 /nfs/dbraw/zinc/16/24/85/202162485.db2.gz JJDZHXHHEJQDIL-UHFFFAOYSA-N 1 1 338.455 2.767 1 0 EFAFMO C[N@H+]1CC[C@]23c4c5c(OC(C)(C)C)ccc4C[C@H]1[C@H]2C=C[C@H](O)[C@@H]3O5 ZINC000028256187 202167649 /nfs/dbraw/zinc/16/76/49/202167649.db2.gz KGAFKGNBYPHAJK-ASGKQNCVSA-N 1 1 341.451 2.670 1 0 EFAFMO CCCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000028765213 202176247 /nfs/dbraw/zinc/17/62/47/202176247.db2.gz JSRRLKCQVUJIDE-PSROTBAVSA-N 1 1 341.451 2.671 1 0 EFAFMO CN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](CC2=[NH+]CCN2)C1 ZINC000029389491 202185142 /nfs/dbraw/zinc/18/51/42/202185142.db2.gz XSZICMBQEFAVLI-AWEZNQCLSA-N 1 1 341.286 2.501 1 0 EFAFMO CC[C@@H]1CC(=O)[C@@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@@H]1[C@@]42CC[N@H+]3C ZINC000029415294 202186383 /nfs/dbraw/zinc/18/63/83/202186383.db2.gz XIJFDJRRWBECQH-PYARGGGASA-N 1 1 327.424 2.569 1 0 EFAFMO CCCn1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000029569401 202189560 /nfs/dbraw/zinc/18/95/60/202189560.db2.gz LMJMZRKPBJFGGJ-GOOCMWNKSA-N 1 1 326.444 2.801 1 0 EFAFMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)C1 ZINC000071316597 203091096 /nfs/dbraw/zinc/09/10/96/203091096.db2.gz WJAPFKRDKPDSGT-ROPHOZQPSA-N 1 1 342.483 2.617 1 0 EFAFMO C[N@H+]1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O ZINC000071318422 203092473 /nfs/dbraw/zinc/09/24/73/203092473.db2.gz UJMUXUJLIHKBEA-MRXNPFEDSA-N 1 1 349.434 2.787 1 0 EFAFMO Cc1cc(-c2ccc(OCCC[N@@H+]3CCC[C@H]3C)cc2)n[nH]c1=O ZINC000072118455 203164147 /nfs/dbraw/zinc/16/41/47/203164147.db2.gz DTMJRGRXYMQQFI-OAHLLOKOSA-N 1 1 327.428 2.999 1 0 EFAFMO C[C@@H]1CCC[N@H+]1CCCOc1ccc(C2=NNC(=O)C[C@@H]2C)cc1 ZINC000073219907 203260780 /nfs/dbraw/zinc/26/07/80/203260780.db2.gz CUMDJLVCVBQTKA-LSDHHAIUSA-N 1 1 329.444 2.800 1 0 EFAFMO CC(C)[N@@H+]1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1 ZINC000073240216 203261895 /nfs/dbraw/zinc/26/18/95/203261895.db2.gz KHVBCLVNMVBPSB-TXEJJXNPSA-N 1 1 332.835 2.629 1 0 EFAFMO CC(C)[N@H+]1C[C@H]2CN(C(=O)c3nc4ccc(Cl)cc4[nH]3)C[C@H]2C1 ZINC000073240216 203261897 /nfs/dbraw/zinc/26/18/97/203261897.db2.gz KHVBCLVNMVBPSB-TXEJJXNPSA-N 1 1 332.835 2.629 1 0 EFAFMO CC(C)[N@@H+]1C[C@H]2CN(C(=O)c3nc4ccc(Cl)cc4[nH]3)C[C@H]2C1 ZINC000073240216 203261899 /nfs/dbraw/zinc/26/18/99/203261899.db2.gz KHVBCLVNMVBPSB-TXEJJXNPSA-N 1 1 332.835 2.629 1 0 EFAFMO Cc1occc1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(C)n1 ZINC000299843035 257655606 /nfs/dbraw/zinc/65/56/06/257655606.db2.gz LFBWBGWQVQIJOW-ROUUACIJSA-N 1 1 325.412 2.780 1 0 EFAFMO Cc1nc(CN(C)[C@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)no1 ZINC000076047353 472252299 /nfs/dbraw/zinc/25/22/99/472252299.db2.gz ZKHLLZKAVRRBCR-KRWDZBQOSA-N 1 1 337.427 2.633 1 0 EFAFMO COc1cc(C[C@H]2c3cc4c(cc3CC[N@@H+]2C)OCO4)ccc1O ZINC000095910401 560058891 /nfs/dbraw/zinc/05/88/91/560058891.db2.gz QWLVWKQNMLEYTB-HNNXBMFYSA-N 1 1 327.380 2.901 1 0 biogenic,in-vitro EFAFMO CCCCNC(=O)c1ccc2[nH+]c(CC)c(N(CC)CCOC)n2c1 ZINC000061906352 214684270 /nfs/dbraw/zinc/68/42/70/214684270.db2.gz RWKCYDOKWIYTDV-UHFFFAOYSA-N 1 1 346.475 2.899 3 0 EFAFMO NC(=O)c1cncc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000101363765 219123992 /nfs/dbraw/zinc/12/39/92/219123992.db2.gz OPZUBUIZEQYXOG-PIIMJCKOSA-N 1 1 337.423 2.755 1 0 EFAFMO CCN(CC)C(=O)N[C@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]2[N@@H+](C)C1 ZINC000003875069 210082029 /nfs/dbraw/zinc/08/20/29/210082029.db2.gz JOAHPSVPXZTVEP-ZVZYQTTQSA-N 1 1 340.471 2.932 1 0 in-vitro EFAFMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067677303 215183021 /nfs/dbraw/zinc/18/30/21/215183021.db2.gz XGBOGUWDQNSUCZ-GFCCVEGCSA-N 1 1 337.379 2.845 1 0 EFAFMO CCC1(CC)C[C@H](C[NH+]2CCN(c3ccccc3O)CC2)OC1=O ZINC000103221311 219271286 /nfs/dbraw/zinc/27/12/86/219271286.db2.gz XDHTVNFHXCWWAZ-OAHLLOKOSA-N 1 1 332.444 2.636 1 0 EFAFMO CC[C@H]1C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N@H+]3C)[C@@H](O5)C1=O ZINC000040670605 213367113 /nfs/dbraw/zinc/36/71/13/213367113.db2.gz JEBHHWOXEIAQTG-IMYYGHLQSA-N 1 1 327.424 2.569 1 0 EFAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H]2CCC[N@H+]2[C@H](C)C1 ZINC000040631667 213362914 /nfs/dbraw/zinc/36/29/14/213362914.db2.gz HOVAWFSXXJAMFU-GRYCIOLGSA-N 1 1 337.851 2.676 1 0 EFAFMO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc2cc[nH]c2c1 ZINC000036092353 213061271 /nfs/dbraw/zinc/06/12/71/213061271.db2.gz BFGJHBYUHBDGER-WMLDXEAASA-N 1 1 347.418 2.632 1 0 EFAFMO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc2cc[nH]c2c1 ZINC000036092353 213061274 /nfs/dbraw/zinc/06/12/74/213061274.db2.gz BFGJHBYUHBDGER-WMLDXEAASA-N 1 1 347.418 2.632 1 0 EFAFMO COc1cc(C)c2nc3n[nH]c(C)c3c(C[N@@H+]3CCO[C@H](C)C3)c2c1 ZINC000073163264 216359750 /nfs/dbraw/zinc/35/97/50/216359750.db2.gz GRYOJSUKVCMOQH-GFCCVEGCSA-N 1 1 340.427 2.957 1 0 EFAFMO COc1cc(C)c2nc3n[nH]c(C)c3c(C[N@H+]3CCO[C@H](C)C3)c2c1 ZINC000073163264 216359754 /nfs/dbraw/zinc/35/97/54/216359754.db2.gz GRYOJSUKVCMOQH-GFCCVEGCSA-N 1 1 340.427 2.957 1 0 EFAFMO CCc1n[nH]c2c1C[N@H+](Cc1cc(=O)n3c4c(cccc14)CCC3)CC2 ZINC000023251788 212365200 /nfs/dbraw/zinc/36/52/00/212365200.db2.gz BPDLQULLYJJZNC-UHFFFAOYSA-N 1 1 348.450 2.792 1 0 EFAFMO CCc1n[nH]c2c1C[N@@H+](Cc1cc(=O)n3c4c(cccc14)CCC3)CC2 ZINC000023251788 212365201 /nfs/dbraw/zinc/36/52/01/212365201.db2.gz BPDLQULLYJJZNC-UHFFFAOYSA-N 1 1 348.450 2.792 1 0 EFAFMO CCc1[nH]nc2c1C[N@H+](Cc1cc(=O)n3c4c(cccc14)CCC3)CC2 ZINC000023251788 212365203 /nfs/dbraw/zinc/36/52/03/212365203.db2.gz BPDLQULLYJJZNC-UHFFFAOYSA-N 1 1 348.450 2.792 1 0 EFAFMO CCc1[nH]nc2c1C[N@@H+](Cc1cc(=O)n3c4c(cccc14)CCC3)CC2 ZINC000023251788 212365205 /nfs/dbraw/zinc/36/52/05/212365205.db2.gz BPDLQULLYJJZNC-UHFFFAOYSA-N 1 1 348.450 2.792 1 0 EFAFMO CNC(=O)CSC[C@@H]1C[N@@H+](C)CC[C@H]1c1ccc(Cl)cc1 ZINC000013677470 211608213 /nfs/dbraw/zinc/60/82/13/211608213.db2.gz LLLFWZQWZWPGBA-ZFWWWQNUSA-N 1 1 326.893 2.855 1 0 EFAFMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1ccc2nonc2c1 ZINC000091562767 218023035 /nfs/dbraw/zinc/02/30/35/218023035.db2.gz QHTQSZSGMSEFIU-HNNXBMFYSA-N 1 1 339.399 2.813 1 0 EFAFMO CCNC(=O)c1ccc(N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)nc1 ZINC000095357891 218291580 /nfs/dbraw/zinc/29/15/80/218291580.db2.gz VQAJDAKFLGGRBD-INIZCTEOSA-N 1 1 341.459 2.993 1 0 EFAFMO CCN(CC)C(=O)N[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000004245703 560197871 /nfs/dbraw/zinc/19/78/71/560197871.db2.gz JOAHPSVPXZTVEP-QGPMSJSTSA-N 1 1 340.471 2.932 1 0 in-vitro EFAFMO OCC[NH+]1CCN(C2=Nc3cc(F)ccc3Nc3ccsc32)CC1 ZINC000053092894 214164118 /nfs/dbraw/zinc/16/41/18/214164118.db2.gz HEZCSHARXDGPOV-UHFFFAOYSA-N 1 1 346.431 2.632 1 0 EFAFMO O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCC[N@H+]1CC1CCOCC1 ZINC000049784867 214031495 /nfs/dbraw/zinc/03/14/95/214031495.db2.gz MBNQZQLPCFGXAR-RDOIFFKNSA-N 1 1 346.515 2.818 1 0 EFAFMO NC(=O)c1ccnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000101363758 219124290 /nfs/dbraw/zinc/12/42/90/219124290.db2.gz UIMHEAADQPMPBD-PIIMJCKOSA-N 1 1 337.423 2.755 1 0 EFAFMO O=C(c1ccco1)N1CCC[C@@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000003955922 210095592 /nfs/dbraw/zinc/09/55/92/210095592.db2.gz GSBUXFFRWLWPAU-IBGZPJMESA-N 1 1 325.412 2.803 1 0 EFAFMO COC(=O)[C@@H]1[C@H]2[C@H](O)C[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)[N@H+]2C ZINC000003940615 210094767 /nfs/dbraw/zinc/09/47/67/210094767.db2.gz BGWLJJSQLYVDMU-HGUIZCDCSA-N 1 1 344.238 2.704 1 0 EFAFMO CCc1[nH]c([C@@H]2CC(=O)Nc3c2c(-c2ccccn2)nn3C)c(C)[nH+]1 ZINC000067741748 215201250 /nfs/dbraw/zinc/20/12/50/215201250.db2.gz IUYGEGNLQBUWAA-LLVKDONJSA-N 1 1 336.399 2.550 1 0 EFAFMO CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cc[nH+]cc3)nn2)CC1 ZINC000040848055 213393101 /nfs/dbraw/zinc/39/31/01/213393101.db2.gz YZMQBHNRNAXMLR-UHFFFAOYSA-N 1 1 327.388 2.687 1 0 EFAFMO C[C@@H]1C[C@H](C)C[N@@H+]1CCNS(=O)(=O)c1cccc2ccccc21 ZINC000038192506 213205294 /nfs/dbraw/zinc/20/52/94/213205294.db2.gz NIFANQDQYVQMIW-LSDHHAIUSA-N 1 1 332.469 2.848 1 0 EFAFMO CCC(=O)Nc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC)[N@H+]3C)cc1 ZINC000036177166 213074390 /nfs/dbraw/zinc/07/43/90/213074390.db2.gz NJRKQUXFDHDYET-CBZIJGRNSA-N 1 1 330.428 2.774 1 0 EFAFMO O=C([C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)N1CCn2cncc2C1 ZINC000072129623 216020007 /nfs/dbraw/zinc/02/00/07/216020007.db2.gz GXEGCDYBHDQNEM-GOSISDBHSA-N 1 1 342.418 2.592 1 0 EFAFMO C[NH+]1CCN(c2nc(N)nc3c4cc(Cl)ccc4sc32)CC1 ZINC000072318103 216148283 /nfs/dbraw/zinc/14/82/83/216148283.db2.gz GFGJIFVTSAHZDI-UHFFFAOYSA-N 1 1 333.848 2.832 1 0 EFAFMO CCOC(=O)Nc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)OC)[N@H+]3C)cc1 ZINC000026661843 212530080 /nfs/dbraw/zinc/53/00/80/212530080.db2.gz YIKMNZPABUNBSL-LTIDMASMSA-N 1 1 346.427 2.994 1 0 EFAFMO CC1(C)Oc2ccc(C(=[NH2+])S)cc2C(Oc2ccc(=O)[nH]n2)C1=O ZINC000026658319 212529910 /nfs/dbraw/zinc/52/99/10/212529910.db2.gz UHJVOYZXHXOCLQ-UHFFFAOYSA-N 1 1 345.380 2.914 1 0 EFAFMO CN(C(=O)c1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012507398 211395605 /nfs/dbraw/zinc/39/56/05/211395605.db2.gz NCPOCSSDFMPHIS-QGZVFWFLSA-N 1 1 327.403 2.957 3 0 EFAFMO CN(C(=O)c1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012507398 211395607 /nfs/dbraw/zinc/39/56/07/211395607.db2.gz NCPOCSSDFMPHIS-QGZVFWFLSA-N 1 1 327.403 2.957 3 0 EFAFMO O=C1N(CC2CCCCC2)CCC[C@@]12CC[N@@H+](Cc1ncc[nH]1)C2 ZINC000012305263 211339176 /nfs/dbraw/zinc/33/91/76/211339176.db2.gz NDUXRJXEEXEMTB-IBGZPJMESA-N 1 1 330.476 2.805 1 0 EFAFMO Cc1cc(C)n(CC(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)n1 ZINC000012301699 211337897 /nfs/dbraw/zinc/33/78/97/211337897.db2.gz FGQIRVSQPXOTMB-KRWDZBQOSA-N 1 1 332.492 2.803 1 0 EFAFMO CN1CCC[C@]2(CC[N@@H+](Cc3cncn3C3CCCCC3)C2)C1=O ZINC000092037078 218108330 /nfs/dbraw/zinc/10/83/30/218108330.db2.gz NABNMHDOFOMLLD-LJQANCHMSA-N 1 1 330.476 2.833 1 0 EFAFMO CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](CCCc3cnn(C)c3)C2)o1 ZINC000078892151 472785893 /nfs/dbraw/zinc/78/58/93/472785893.db2.gz WODIWRRPADCNMQ-KRWDZBQOSA-N 1 1 345.491 2.670 1 0 EFAFMO c1ccc2oc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nc2c1 ZINC000013736432 1099127531 /nfs/dbraw/zinc/12/75/31/1099127531.db2.gz KSTPQTROCLTJMM-UHFFFAOYSA-N 1 1 337.379 2.879 1 0 EFAFMO C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(Cl)c(N)cc3O)CC[N@@H+]12 ZINC000003951727 210094737 /nfs/dbraw/zinc/09/47/37/210094737.db2.gz SQQXDSFKORQHET-GRYCIOLGSA-N 1 1 337.851 2.763 1 0 in-vivo EFAFMO c1cc(N2CCC([NH+]3CCCC3)CC2)ccc1CCN1CCOCC1 ZINC000103298406 219286036 /nfs/dbraw/zinc/28/60/36/219286036.db2.gz UDBKPWFRPQXNGS-UHFFFAOYSA-N 1 1 343.515 2.626 1 0 EFAFMO CC1(C)C=C(CSc2nc3cccc(C(N)=O)c3[nH]2)C(C)(C)[NH2+]1 ZINC000040895266 213398579 /nfs/dbraw/zinc/39/85/79/213398579.db2.gz FJNUOZMJYDKTSX-UHFFFAOYSA-N 1 1 330.457 2.841 1 0 EFAFMO C[C@@H]1C[C@H](C)[N@@H+](CCNS(=O)(=O)c2cccc3ccccc32)C1 ZINC000038192503 213205001 /nfs/dbraw/zinc/20/50/01/213205001.db2.gz NIFANQDQYVQMIW-CABCVRRESA-N 1 1 332.469 2.848 1 0 EFAFMO C[C@@H]1CCC[N@H+]1CCCOc1c(F)cc(-c2ccc(=O)[nH]n2)cc1F ZINC000072116534 216012148 /nfs/dbraw/zinc/01/21/48/216012148.db2.gz CVWBBUYUSWNUBE-GFCCVEGCSA-N 1 1 349.381 2.968 1 0 EFAFMO CC(C)(C)c1cc(=O)[nH]c(-c2ccccc2C[N@H+]2CCC[C@@H](O)C2)n1 ZINC000023192040 212360085 /nfs/dbraw/zinc/36/00/85/212360085.db2.gz RMIDCDQTGZSTNW-OAHLLOKOSA-N 1 1 341.455 2.691 1 0 EFAFMO COC(=O)[C@H]1C[C@]23CCC[N@H+]4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 ZINC000230182240 242245076 /nfs/dbraw/zinc/24/50/76/242245076.db2.gz IYLRRIUNGGQRTN-MKCNHSFFSA-N 1 1 338.451 2.930 1 0 EFAFMO Cc1c(=O)[nH]c(-c2ccc(C[N@@H+](C)CCO)cc2)nc1C(F)(F)F ZINC000020472413 212134734 /nfs/dbraw/zinc/13/47/34/212134734.db2.gz ZAZDCOYGEDPDES-UHFFFAOYSA-N 1 1 341.333 2.601 1 0 EFAFMO O=C1N(Cc2cccnc2)CCC[C@@]12CC[N@H+](C1CCSCC1)C2 ZINC000012435764 211380693 /nfs/dbraw/zinc/38/06/93/211380693.db2.gz MFYZXSFIRUXUOC-IBGZPJMESA-N 1 1 345.512 2.792 1 0 EFAFMO C[NH+]1CCN(c2ccc3nc(-c4n[nH]c5ccccc54)[nH]c3c2)CC1 ZINC000036176911 132390702 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CCOC(=O)Nc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC)[N@H+]3C)cc1 ZINC000036177151 202317930 /nfs/dbraw/zinc/31/79/30/202317930.db2.gz YIKMNZPABUNBSL-NCOADZHNSA-N 1 1 346.427 2.994 1 0 EFAFMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)C1 ZINC000071317229 203091971 /nfs/dbraw/zinc/09/19/71/203091971.db2.gz WJAPFKRDKPDSGT-WBKMXMRLSA-N 1 1 342.483 2.617 1 0 EFAFMO Cn1cc(CC[N@@H+](C)Cc2cn(C)nc2-c2ccccc2F)cn1 ZINC000020166172 212108263 /nfs/dbraw/zinc/10/82/63/212108263.db2.gz WSGIMKIJGYDCDW-UHFFFAOYSA-N 1 1 327.407 2.634 3 0 EFAFMO COC(=O)[C@@]12CC[C@]3(C=CC[N@H+]4CC[C@@]5(c6ccccc6N=C15)[C@@H]43)C2 ZINC000085990916 560063051 /nfs/dbraw/zinc/06/30/51/560063051.db2.gz NHBNAZNATVTUSA-KCLUMXDGSA-N 1 1 334.419 2.998 1 0 biogenic,in-vitro EFAFMO COCc1ccc(O)cc1CC[N@@H+](C)[C@@H](C)[C@H](O)c1cccc(O)c1 ZINC000085486952 560076080 /nfs/dbraw/zinc/07/60/80/560076080.db2.gz KELUENRBHAWYTD-XOBRGWDASA-N 1 1 345.439 2.841 1 0 biogenic,in-vitro EFAFMO CC(C)[NH+]1CCN(C(=O)Oc2ccc(Br)cc2)CC1 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ZINC000029465979 202186447 /nfs/dbraw/zinc/18/64/47/202186447.db2.gz XIJFDJRRWBECQH-CWGXPGDPSA-N 1 1 327.424 2.569 1 0 EFAFMO COc1ccc2c3c1O[C@H]1C(=O)C[C@H](C(C)C)[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000029464042 202187019 /nfs/dbraw/zinc/18/70/19/202187019.db2.gz BGMGGOFTKJKRPG-ZUVDNEDXSA-N 1 1 341.451 2.815 1 0 EFAFMO COc1ccc2c3c1O[C@H]1C(=O)C[C@H](C(C)C)[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000029464039 202187141 /nfs/dbraw/zinc/18/71/41/202187141.db2.gz BGMGGOFTKJKRPG-YDPJVIJCSA-N 1 1 341.451 2.815 1 0 EFAFMO CN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000072125973 203165627 /nfs/dbraw/zinc/16/56/27/203165627.db2.gz MKCPKLRBORNGKZ-LJQANCHMSA-N 1 1 338.455 2.961 1 0 EFAFMO COc1ccccc1N1CC[NH+](C[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000103221578 204067411 /nfs/dbraw/zinc/06/74/11/204067411.db2.gz PQIXPACOBOVXFY-QGZVFWFLSA-N 1 1 346.471 2.893 1 0 EFAFMO Fc1ccc(-c2cncc(C[NH+]3CCN(c4ncccn4)CC3)c2)cc1 ZINC000052585547 132184680 /nfs/dbraw/zinc/18/46/80/132184680.db2.gz CQTUBBGJACSDPZ-UHFFFAOYSA-N 1 1 349.413 3.000 1 0 EFAFMO COc1cc2c(cc1O)[C@@H](OC)C[N@@H+]1CC=C3C=C[C@H](OC)C[C@]321 ZINC000095486135 560061540 /nfs/dbraw/zinc/06/15/40/560061540.db2.gz ALXKECNSHBJDOK-AGRHKRQWSA-N 1 1 329.396 2.514 1 0 biogenic,in-vitro EFAFMO CC[C@H]1[N@H+](Cc2nccs2)CCC[C@]12CCC(=O)N2CCOC ZINC000299841923 1311875953 /nfs/dbraw/zinc/87/59/53/1311875953.db2.gz BOTDFMLPTFNSJV-PBHICJAKSA-N 1 1 337.489 2.525 1 0 EFAFMO CC[C@H]1[N@@H+](Cc2nccs2)CCC[C@]12CCC(=O)N2CCOC ZINC000299841923 1311875954 /nfs/dbraw/zinc/87/59/54/1311875954.db2.gz BOTDFMLPTFNSJV-PBHICJAKSA-N 1 1 337.489 2.525 1 0 EFAFMO Fc1ccc(-c2cncc(C[NH+]3CCN(c4cnccn4)CC3)c2)cc1 ZINC000026162243 1099428964 /nfs/dbraw/zinc/42/89/64/1099428964.db2.gz WVEQYQHSBOYABA-UHFFFAOYSA-N 1 1 349.413 3.000 1 0 EFAFMO COc1cc2c(cc1OCC[C@@H]1CCC[N@H+]1C)NC(=[NH2+])C21CCC1 ZINC000103244989 219274534 /nfs/dbraw/zinc/27/45/34/219274534.db2.gz HCOVVBMASKCSBY-ZDUSSCGKSA-N 1 1 329.444 2.982 1 0 EFAFMO COc1cc2c(cc1OCC[C@H]1CCC[N@H+]1C)NC(=[NH2+])C21CCC1 ZINC000103244986 219274777 /nfs/dbraw/zinc/27/47/77/219274777.db2.gz HCOVVBMASKCSBY-CYBMUJFWSA-N 1 1 329.444 2.982 1 0 EFAFMO O=C1C[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@H]1O2 ZINC000040914832 213399220 /nfs/dbraw/zinc/39/92/20/213399220.db2.gz DFCRDTHYBCKRGA-XRXFAXGQSA-N 1 1 339.435 2.561 1 0 EFAFMO COc1cccc([C@H](CN2CC[NH+](C)CC2)C2(O)CCCCC2)c1 ZINC000040895222 213398695 /nfs/dbraw/zinc/39/86/95/213398695.db2.gz WWUZCWXKLHVLMN-IBGZPJMESA-N 1 1 332.488 2.721 1 0 in-vitro EFAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@H]2CCC[N@H+]2[C@@H](C)C1 ZINC000040631673 213362349 /nfs/dbraw/zinc/36/23/49/213362349.db2.gz HOVAWFSXXJAMFU-QJPTWQEYSA-N 1 1 337.851 2.676 1 0 EFAFMO C[NH+]1CCN(C(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)CC1 ZINC000036380976 213092258 /nfs/dbraw/zinc/09/22/58/213092258.db2.gz VQGFFNRFXKCASI-UHFFFAOYSA-N 1 1 347.418 2.995 3 0 EFAFMO CC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)c3ncccc23)CC1 ZINC000072323235 216149729 /nfs/dbraw/zinc/14/97/29/216149729.db2.gz WLYGBURADCVFAD-UHFFFAOYSA-N 1 1 348.450 2.862 1 0 EFAFMO C[C@@H]1CCC[N@H+]1CCCOc1ccc(C2=NN(C)C(=O)CC2)cc1 ZINC000073223310 216367174 /nfs/dbraw/zinc/36/71/74/216367174.db2.gz MCRIGRHXRPURON-OAHLLOKOSA-N 1 1 329.444 2.896 1 0 EFAFMO CCCOc1ccc2c(c1)CC[NH+]=C2c1ccc(S(N)(=O)=O)cc1 ZINC000084669438 217629363 /nfs/dbraw/zinc/62/93/63/217629363.db2.gz JZLBHEVJRGBJFI-UHFFFAOYSA-N 1 1 344.436 2.516 1 0 EFAFMO CCNC(=O)c1ccc(N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)nc1 ZINC000095357892 218292133 /nfs/dbraw/zinc/29/21/33/218292133.db2.gz VQAJDAKFLGGRBD-MRXNPFEDSA-N 1 1 341.459 2.993 1 0 EFAFMO c1cc(C[N@H+]2CCCN(c3ccccc3)CC2)n(-c2ccccn2)n1 ZINC000621476439 480540080 /nfs/dbraw/zinc/54/00/80/480540080.db2.gz XTLBTZUNRDIKHR-UHFFFAOYSA-N 1 1 333.439 2.980 1 0 EFAFMO Cc1noc(C)c1CN1CCO[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000096081729 1286024997 /nfs/dbraw/zinc/02/49/97/1286024997.db2.gz QGEKDMICGKQUIE-MOPGFXCFSA-N 1 1 345.418 2.516 1 0 EFAFMO Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000096081729 1286024999 /nfs/dbraw/zinc/02/49/99/1286024999.db2.gz QGEKDMICGKQUIE-MOPGFXCFSA-N 1 1 345.418 2.516 1 0 EFAFMO Cc1c[nH]c2nc[nH+]c(N3CC[C@@H](NC(=O)Nc4ccccc4)C3)c12 ZINC000053243148 214172821 /nfs/dbraw/zinc/17/28/21/214172821.db2.gz HJTMFSJSSPZLPN-CQSZACIVSA-N 1 1 336.399 2.667 1 0 EFAFMO NC(=O)c1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000101363762 219123867 /nfs/dbraw/zinc/12/38/67/219123867.db2.gz KDYAEPCFPWDFLK-VQFNDLOPSA-N 1 1 337.423 2.755 1 0 EFAFMO Nc1cccnc1C[N@@H+](CCCC[NH3+])[C@@H]1CCCc2cccnc21 ZINC000066077022 215006869 /nfs/dbraw/zinc/00/68/69/215006869.db2.gz MSZYGLCHDDNCLO-GOSISDBHSA-N 1 1 325.460 2.677 1 0 EFAFMO Nc1cccnc1CN(CCCC[NH3+])[C@@H]1CCCc2cccnc21 ZINC000066077022 215006871 /nfs/dbraw/zinc/00/68/71/215006871.db2.gz MSZYGLCHDDNCLO-GOSISDBHSA-N 1 1 325.460 2.677 1 0 EFAFMO CCC1(CC)C[C@@H](C[NH+]2CCN(c3ccccc3O)CC2)OC1=O ZINC000103221313 219271734 /nfs/dbraw/zinc/27/17/34/219271734.db2.gz XDHTVNFHXCWWAZ-HNNXBMFYSA-N 1 1 332.444 2.636 1 0 EFAFMO COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000040503561 213324811 /nfs/dbraw/zinc/32/48/11/213324811.db2.gz SNMSBBCYVHAMAU-RYUDHWBXSA-N 1 1 337.851 2.535 1 0 EFAFMO CC1(C)[NH2+]C(C)(C)c2cc(-c3nc4cccc(C(N)=O)c4[nH]3)ncc21 ZINC000040394388 213296243 /nfs/dbraw/zinc/29/62/43/213296243.db2.gz JHQFDFSYYLUONC-UHFFFAOYSA-N 1 1 335.411 2.797 1 0 EFAFMO Cc1nc(NCc2nc(-c3ccccc3)n[nH]2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000039500466 213238308 /nfs/dbraw/zinc/23/83/08/213238308.db2.gz APYBJECAYLHNLK-OAHLLOKOSA-N 1 1 349.442 2.649 1 0 EFAFMO Cc1nc(NCc2n[nH]c(-c3ccccc3)n2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000039500466 213238310 /nfs/dbraw/zinc/23/83/10/213238310.db2.gz APYBJECAYLHNLK-OAHLLOKOSA-N 1 1 349.442 2.649 1 0 EFAFMO C[C@H]1C[C@H](C)[N@@H+](CCNS(=O)(=O)c2cccc3ccccc32)C1 ZINC000038192504 213204933 /nfs/dbraw/zinc/20/49/33/213204933.db2.gz NIFANQDQYVQMIW-GJZGRUSLSA-N 1 1 332.469 2.848 1 0 EFAFMO C[NH+]1CCN(c2nc(N)nc3c4ccc(Cl)cc4sc32)CC1 ZINC000073168491 216359533 /nfs/dbraw/zinc/35/95/33/216359533.db2.gz RUDSREHSJOCSHJ-UHFFFAOYSA-N 1 1 333.848 2.832 1 0 EFAFMO O=S(=O)(CCCC(F)(F)F)c1ccc2c(c1)C[NH2+][C@H](CF)C2 ZINC000014951675 211776701 /nfs/dbraw/zinc/77/67/01/211776701.db2.gz BBZDPTBIIGSNGY-LBPRGKRZSA-N 1 1 339.354 2.787 1 0 EFAFMO C[N@H+](CC[C@@H]1CCCCO1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012298278 211337307 /nfs/dbraw/zinc/33/73/07/211337307.db2.gz HHUCLLFKEXQMML-AWEZNQCLSA-N 1 1 345.399 2.856 1 0 EFAFMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012298278 211337309 /nfs/dbraw/zinc/33/73/09/211337309.db2.gz HHUCLLFKEXQMML-AWEZNQCLSA-N 1 1 345.399 2.856 1 0 EFAFMO COc1ccccc1CCN1CCC[C@@H](C[N@H+](C)CC(C)(C)CO)C1 ZINC000011775262 211246333 /nfs/dbraw/zinc/24/63/33/211246333.db2.gz DPUHFAPEPXNUCL-SFHVURJKSA-N 1 1 348.531 2.900 3 0 EFAFMO COc1ccccc1CCN1CCC[C@@H](C[N@@H+](C)CC(C)(C)CO)C1 ZINC000011775262 211246340 /nfs/dbraw/zinc/24/63/40/211246340.db2.gz DPUHFAPEPXNUCL-SFHVURJKSA-N 1 1 348.531 2.900 3 0 EFAFMO CCc1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccn12 ZINC000011686838 211233318 /nfs/dbraw/zinc/23/33/18/211233318.db2.gz BVWCFMBYECSRAB-GOOCMWNKSA-N 1 1 326.444 2.642 1 0 EFAFMO O=C([C@H](c1ccc(F)cc1)[NH+]1CCCCC1)N1CCn2cncc2C1 ZINC000072129622 280123325 /nfs/dbraw/zinc/12/33/25/280123325.db2.gz GXEGCDYBHDQNEM-SFHVURJKSA-N 1 1 342.418 2.592 1 0 EFAFMO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000006520738 471548364 /nfs/dbraw/zinc/54/83/64/471548364.db2.gz WWHFQRGCCRXFNB-JCGIZDLHSA-N 1 1 342.439 2.982 1 0 EFAFMO C[N@H+]1CCc2cc3c(cc2[C@@H]1Cc1cc2c(cc1O)OCO2)OCO3 ZINC000095912762 560057002 /nfs/dbraw/zinc/05/70/02/560057002.db2.gz WTJFWOXAAIZHMR-AWEZNQCLSA-N 1 1 341.363 2.621 1 0 biogenic,in-vitro EFAFMO COC(=O)[C@@H]1C[C@@]23CCC[N@H+]4C[C@@H]([C@H]2C)[C@]2(c5ccccc5N[C@@H]12)[C@H]43 ZINC000085493626 560074870 /nfs/dbraw/zinc/07/48/70/560074870.db2.gz JJBVIQURELZCPM-UDTJPJIDSA-N 1 1 338.451 2.642 1 0 biogenic,in-vitro EFAFMO COc1cc2c(cc1OC)C1=C3[C@H](CC[N@@H+](C)[C@H]3C2)CC2=C1OCO2 ZINC000085493551 560074909 /nfs/dbraw/zinc/07/49/09/560074909.db2.gz ZNMZBMUAXNHDAA-RISCZKNCSA-N 1 1 341.407 2.953 1 0 biogenic,in-vitro EFAFMO COC(=O)c1cc2c(cc1OC)CC[N@@H+]1CCC3=CC[C@H](OC)C[C@]321 ZINC000015203814 560229154 /nfs/dbraw/zinc/22/91/54/560229154.db2.gz PPFOELFAZNRRHY-YWZLYKJASA-N 1 1 343.423 2.674 1 0 biogenic,in-vitro EFAFMO C[C@@H]([NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)sc21)C1CCCCC1 ZINC000058583660 581094737 /nfs/dbraw/zinc/09/47/37/581094737.db2.gz STUBIVXIKVVAJL-YGRLFVJLSA-N 1 1 336.457 2.887 1 0 EFAFMO CN1CC[NH+](CCCNC(=O)Nc2cccc3ccccc32)CC1 ZINC000020153955 1099371713 /nfs/dbraw/zinc/37/17/13/1099371713.db2.gz VXRBQCRMLCIXMW-UHFFFAOYSA-N 1 1 326.444 2.599 3 0 EFAFMO CC(C)OC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)[N@H+]2C ZINC000056727930 214386107 /nfs/dbraw/zinc/38/61/07/214386107.db2.gz NGJWCZYRIKMKEP-YVSFHVDLSA-N 1 1 331.412 2.646 1 0 EFAFMO NC(=O)c1cccc2nc(-c3ccc([C@H]4CCC[NH2+]C4)cc3F)[nH]c21 ZINC000063540115 214760681 /nfs/dbraw/zinc/76/06/81/214760681.db2.gz OETCTXGISYWYMV-LBPRGKRZSA-N 1 1 338.386 2.935 1 0 EFAFMO CCC1(CC)C[C@@H](C[NH+]2CCN(c3ccccc3OC)CC2)OC1=O ZINC000103212828 219270175 /nfs/dbraw/zinc/27/01/75/219270175.db2.gz HYOSLASJNPJOHX-INIZCTEOSA-N 1 1 346.471 2.939 1 0 EFAFMO Cc1n[nH]c(CCC(=O)NC[C@@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000067757016 215205238 /nfs/dbraw/zinc/20/52/38/215205238.db2.gz CNTKYXQLOIYOKG-INIZCTEOSA-N 1 1 332.492 2.730 1 0 EFAFMO Cc1[nH]nc(CCC(=O)NC[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1C ZINC000067757016 215205240 /nfs/dbraw/zinc/20/52/40/215205240.db2.gz CNTKYXQLOIYOKG-INIZCTEOSA-N 1 1 332.492 2.730 1 0 EFAFMO Cc1[nH]nc(CCC(=O)NC[C@@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000067757016 215205241 /nfs/dbraw/zinc/20/52/41/215205241.db2.gz CNTKYXQLOIYOKG-INIZCTEOSA-N 1 1 332.492 2.730 1 0 EFAFMO CCC1(CC)C[C@H](C[NH+]2CCN(c3ccccc3OC)CC2)OC1=O ZINC000103212825 219270570 /nfs/dbraw/zinc/27/05/70/219270570.db2.gz HYOSLASJNPJOHX-MRXNPFEDSA-N 1 1 346.471 2.939 1 0 EFAFMO COc1ccccc1N1CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC000103221581 219271620 /nfs/dbraw/zinc/27/16/20/219271620.db2.gz PQIXPACOBOVXFY-KRWDZBQOSA-N 1 1 346.471 2.893 1 0 EFAFMO NC(=O)c1ccc(Oc2ccc3c(c2)CC[N@@H+](C2CCC2)CC3)nc1 ZINC000103243319 219274107 /nfs/dbraw/zinc/27/41/07/219274107.db2.gz GGCWRDSZXATELN-UHFFFAOYSA-N 1 1 337.423 2.926 1 0 EFAFMO Cc1nc[nH]c1C[N@H+]1CC[C@H](CNC(=O)c2cccc3cnccc32)C1 ZINC000067804464 215216121 /nfs/dbraw/zinc/21/61/21/215216121.db2.gz UVUSPDVGUJXYIF-OAHLLOKOSA-N 1 1 349.438 2.518 1 0 EFAFMO Cc1ccsc1C[N@H+]1CCC[C@H](CNC(=O)c2ccc(N)nc2)C1 ZINC000067966517 215261817 /nfs/dbraw/zinc/26/18/17/215261817.db2.gz QKUZQWDCFQMHLS-CQSZACIVSA-N 1 1 344.484 2.676 1 0 EFAFMO COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2C[N@@H+]3CC=C(C)C)cc1 ZINC000040893099 213397608 /nfs/dbraw/zinc/39/76/08/213397608.db2.gz VLDNLNSJMNNQDZ-MJGOQNOKSA-N 1 1 328.456 2.879 1 0 EFAFMO COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2C[N@H+]3CC=C(C)C)cc1 ZINC000040893099 213397611 /nfs/dbraw/zinc/39/76/11/213397611.db2.gz VLDNLNSJMNNQDZ-MJGOQNOKSA-N 1 1 328.456 2.879 1 0 EFAFMO Cn1cc([C@@H](C[NH+]2CCNCC2)C2(O)CCCCC2)c2ccccc21 ZINC000038306826 213207141 /nfs/dbraw/zinc/20/71/41/213207141.db2.gz UIOCALWWKYWNPJ-LJQANCHMSA-N 1 1 341.499 2.862 1 0 EFAFMO C[N@H+]1CC[C@H](CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 ZINC000036289038 213082337 /nfs/dbraw/zinc/08/23/37/213082337.db2.gz ZNGQHWHOFXMGLH-CYBMUJFWSA-N 1 1 336.395 2.654 1 0 EFAFMO C[C@@H]1CCC[N@H+]1CCCOc1ccc2c(cc3n2CCNC3=O)c1 ZINC000035308488 213019444 /nfs/dbraw/zinc/01/94/44/213019444.db2.gz HXPHDFPROQRYEG-CQSZACIVSA-N 1 1 327.428 2.638 1 0 EFAFMO CC[N@H+](Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2ccc(CO)cc2)O1 ZINC000072436030 216231338 /nfs/dbraw/zinc/23/13/38/216231338.db2.gz OATJMAQIXXJYMQ-VQTJNVASSA-N 1 1 343.471 2.525 1 0 EFAFMO COc1cc(C)c2nc3n[nH]c(C)c3c(C[N@H+]3CC[C@@H](CO)C3)c2c1 ZINC000073163261 216359631 /nfs/dbraw/zinc/35/96/31/216359631.db2.gz OFWSLNPYCCYCJZ-CYBMUJFWSA-N 1 1 340.427 2.551 1 0 EFAFMO O=S1(=O)c2ccccc2-c2ccc(N3CC[NH+]4CCC3CC4)cc21 ZINC000073198704 216361972 /nfs/dbraw/zinc/36/19/72/216361972.db2.gz YACBGDSMMTUWNX-UHFFFAOYSA-N 1 1 340.448 2.784 1 0 EFAFMO COc1cc(C)c2nc3n[nH]c(C)c3c(C[N@@H+]3C[C@H]4C[C@@H]3CO4)c2c1 ZINC000073195808 216362607 /nfs/dbraw/zinc/36/26/07/216362607.db2.gz SFKQQVWLORCMDW-TZMCWYRMSA-N 1 1 338.411 2.710 1 0 EFAFMO COc1cc(C)c2nc3n[nH]c(C)c3c(C[N@H+]3C[C@H]4C[C@@H]3CO4)c2c1 ZINC000073195808 216362609 /nfs/dbraw/zinc/36/26/09/216362609.db2.gz SFKQQVWLORCMDW-TZMCWYRMSA-N 1 1 338.411 2.710 1 0 EFAFMO O=C1c2ccccc2OC[C@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022933184 212336509 /nfs/dbraw/zinc/33/65/09/212336509.db2.gz COMSERWZDSPXDS-GOSISDBHSA-N 1 1 336.435 2.696 1 0 EFAFMO COC1=C(OC)C2=C(CC1)C[C@H]1[C@H]3C[C@@H]4OCO[C@@H]4C[C@@H]3CC[N@H+]1C2 ZINC000169300115 533030304 /nfs/dbraw/zinc/03/03/04/533030304.db2.gz RGAUNSXGSUQSRV-FUUSMOTLSA-N 1 1 347.455 2.827 1 0 EFAFMO CN1CCC[C@@]2(CC[N@@H+](Cc3cncn3C3CCCCC3)C2)C1=O ZINC000092037080 277072428 /nfs/dbraw/zinc/07/24/28/277072428.db2.gz NABNMHDOFOMLLD-IBGZPJMESA-N 1 1 330.476 2.833 1 0 EFAFMO CC(=O)O[C@H]1[C@@H]2C[C@@H](C)C[C@]34[C@@H]2CCC[N@@H+]3CCC[C@@H]4[C@@H]1OC(C)=O ZINC000095909286 560059866 /nfs/dbraw/zinc/05/98/66/560059866.db2.gz LSLXWPPVHQKSJX-WRTXMISJSA-N 1 1 349.471 2.770 1 0 biogenic,in-vitro EFAFMO COC(=O)[C@H]1C[C@@]23C=CC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000004104912 560197034 /nfs/dbraw/zinc/19/70/34/560197034.db2.gz ZHVZVHMDHAWEBG-DDVIMMDMSA-N 1 1 336.435 2.706 1 0 biogenic,in-vitro EFAFMO COc1cc2c(cc1O)-c1c3c(cc4c1[C@@H](C2)[N@H+](C)CC4)OCO3 ZINC000014966496 560227960 /nfs/dbraw/zinc/22/79/60/560227960.db2.gz JCAGCHGPDTYNCD-CYBMUJFWSA-N 1 1 325.364 2.882 1 0 biogenic,in-vitro EFAFMO COc1cc2c(cc1O)-c1c3c(cc4c1[C@@H](C2)[N@@H+](C)CC4)OCO3 ZINC000014966496 560227962 /nfs/dbraw/zinc/22/79/62/560227962.db2.gz JCAGCHGPDTYNCD-CYBMUJFWSA-N 1 1 325.364 2.882 1 0 biogenic,in-vitro EFAFMO C[C@]1(c2nc3c(cccc3C(N)=O)[nH]2)CC[N@@H+](CCc2ccccc2)C1 ZINC000040974840 581092385 /nfs/dbraw/zinc/09/23/85/581092385.db2.gz JIMJKXHFKCOLAA-NRFANRHFSA-N 1 1 348.450 2.868 1 0 EFAFMO C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CC[N@H+](CCc2ccccc2)C1 ZINC000040974840 581092386 /nfs/dbraw/zinc/09/23/86/581092386.db2.gz JIMJKXHFKCOLAA-NRFANRHFSA-N 1 1 348.450 2.868 1 0 EFAFMO C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CC[N@@H+](CCc2ccccc2)C1 ZINC000040974840 581092387 /nfs/dbraw/zinc/09/23/87/581092387.db2.gz JIMJKXHFKCOLAA-NRFANRHFSA-N 1 1 348.450 2.868 1 0 EFAFMO C[NH+](C)CC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12 ZINC000013652904 581099391 /nfs/dbraw/zinc/09/93/91/581099391.db2.gz XKNXBYTWJAJGON-UHFFFAOYSA-N 1 1 333.391 2.599 1 0 EFAFMO c1ccc(CN2CCN(C[C@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC000653699268 1321975476 /nfs/dbraw/zinc/97/54/76/1321975476.db2.gz SMEIMTHKRVPONN-IBGZPJMESA-N 1 1 330.472 2.880 1 0 EFAFMO c1ccc(CN2CC[NH+](C[C@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC000653699268 1321975478 /nfs/dbraw/zinc/97/54/78/1321975478.db2.gz SMEIMTHKRVPONN-IBGZPJMESA-N 1 1 330.472 2.880 1 0 EFAFMO