smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[NH2+]CC1CCCCC1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000035313634 563559688 /nfs/dbraw/zinc/55/96/88/563559688.db2.gz FSIDCAARPFCZOQ-UHFFFAOYSA-N 2 0 343.515 3.781 40 0 EHABRP COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096051754 563978686 /nfs/dbraw/zinc/97/86/86/563978686.db2.gz CFOAIVOFQGPHMF-QGZVFWFLSA-N 2 0 336.545 3.768 40 0 EHABRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484365 564051290 /nfs/dbraw/zinc/05/12/90/564051290.db2.gz KGEIHHUWMJPNNI-ZTFGCOKTSA-N 2 0 342.462 3.597 40 0 EHABRP Cc1[nH+]cc2cc(C)nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n21 ZINC000257231648 244217770 /nfs/dbraw/zinc/21/77/70/244217770.db2.gz GHQATKYLVNLTRP-KRWDZBQOSA-N 2 0 338.430 3.865 40 0 EHABRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096051570 563978576 /nfs/dbraw/zinc/97/85/76/563978576.db2.gz VNUNSQKEXKQEIK-LJQANCHMSA-N 2 0 325.456 3.551 40 0 EHABRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCOCC2)C3)s1 ZINC000096215370 563980185 /nfs/dbraw/zinc/98/01/85/563980185.db2.gz NUASKEFUPHZHNI-HXUWFJFHSA-N 2 0 348.556 3.771 40 0 EHABRP CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000004763939 564005272 /nfs/dbraw/zinc/00/52/72/564005272.db2.gz TWTOFPRZEXCURK-BQFCYCMXSA-N 2 0 334.504 3.645 40 0 EHABRP C[N@H+](CCc1ccccc1)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1 ZINC000072394692 203213261 /nfs/dbraw/zinc/21/32/61/203213261.db2.gz LEVTYIAVGGQDTR-UHFFFAOYSA-N 2 0 348.494 3.704 40 0 EHABRP C[C@H]1C[C@]2(C)Oc3ccccc3C[C@@H]2[C@@H](C)[C@@H]1C[NH2+]CCC[NH+](C)C ZINC000013119903 207349024 /nfs/dbraw/zinc/34/90/24/207349024.db2.gz LNUAAHAFERZTED-ZAAOTPHGSA-N 2 0 344.543 3.830 40 0 EHABRP [NH3+]C[C@H]1CC[C@H]([C@@H]([NH2+]Cc2cccc(F)c2)c2ccccn2)CC1 ZINC000257214785 563967170 /nfs/dbraw/zinc/96/71/70/563967170.db2.gz CNKULNYGOMGBTJ-WRWLIDTKSA-N 2 0 327.447 3.817 40 0 EHABRP C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)[C@H]1C ZINC000247851826 564124512 /nfs/dbraw/zinc/12/45/12/564124512.db2.gz BAPBSMKYRBBHSL-CABCVRRESA-N 2 0 326.488 3.650 40 0 EHABRP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585103913 563971444 /nfs/dbraw/zinc/97/14/44/563971444.db2.gz UAOQSTPJYFMBEO-GOSISDBHSA-N 2 0 348.556 3.709 40 0 EHABRP Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)s1 ZINC000096046510 563978132 /nfs/dbraw/zinc/97/81/32/563978132.db2.gz KHBAWFINNHLQNF-UHFFFAOYSA-N 2 0 341.524 3.940 40 0 EHABRP CC1(C)CC([N@@H+](Cc2ccccc2F)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740473 202330371 /nfs/dbraw/zinc/33/03/71/202330371.db2.gz FXPLSISVEIUXPU-INIZCTEOSA-N 2 0 348.506 3.973 40 0 EHABRP Clc1cccc(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)c1 ZINC000096207288 563980149 /nfs/dbraw/zinc/98/01/49/563980149.db2.gz AOBWUJOESPRIIY-RTBURBONSA-N 2 0 334.891 3.559 40 0 EHABRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cccnc1)CC2 ZINC000096051568 563978551 /nfs/dbraw/zinc/97/85/51/563978551.db2.gz KUBIXCAAZARWFZ-LJQANCHMSA-N 2 0 325.456 3.551 40 0 EHABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)Cc3cccnc3)CC2)o1 ZINC000096238320 563980475 /nfs/dbraw/zinc/98/04/75/563980475.db2.gz LRNINHNTINOUMQ-LJQANCHMSA-N 2 0 339.483 3.717 40 0 EHABRP NC(=[NH2+])c1ccc(Oc2ccc(Oc3ccc(C(N)=[NH2+])cc3)cc2)cc1 ZINC000001568062 564130192 /nfs/dbraw/zinc/13/01/92/564130192.db2.gz JARPXSXRDFAPLC-UHFFFAOYSA-N 2 0 346.390 3.839 40 0 EHABRP C[NH+](C)Cc1ccc(OCCCOc2ccc(C[NH+](C)C)cc2)cc1 ZINC000096837486 563962774 /nfs/dbraw/zinc/96/27/74/563962774.db2.gz MOUXMSAFWRMPPF-UHFFFAOYSA-N 2 0 342.483 3.658 40 0 EHABRP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)o1 ZINC000096047199 563978205 /nfs/dbraw/zinc/97/82/05/563978205.db2.gz XVOVEWGTYLGFPH-UHFFFAOYSA-N 2 0 339.483 3.861 40 0 EHABRP Cc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000019216418 202001634 /nfs/dbraw/zinc/00/16/34/202001634.db2.gz REURJAQMFZDVHW-INIZCTEOSA-N 2 0 334.504 3.736 40 0 EHABRP c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCOC1)CC21CC[NH+](CC2CC2)CC1 ZINC000096241462 203881449 /nfs/dbraw/zinc/88/14/49/203881449.db2.gz ATFOLBLRVPDHRJ-GHTZIAJQSA-N 2 0 340.511 3.501 40 0 EHABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)cc1C ZINC000096220786 563980413 /nfs/dbraw/zinc/98/04/13/563980413.db2.gz HFQJAQQMMHNEEO-HXUWFJFHSA-N 2 0 328.500 3.523 40 0 EHABRP Cc1ccc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)Cc3cccnc3)CC2)o1 ZINC000096238321 563980451 /nfs/dbraw/zinc/98/04/51/563980451.db2.gz LRNINHNTINOUMQ-IBGZPJMESA-N 2 0 339.483 3.717 40 0 EHABRP c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCOC1)CC21CC[NH+](CC2CC2)CC1 ZINC000096241463 563980505 /nfs/dbraw/zinc/98/05/05/563980505.db2.gz ATFOLBLRVPDHRJ-RXVVDRJESA-N 2 0 340.511 3.501 40 0 EHABRP c1cc[n+](C2c3ccccc3C([n+]3ccccc3)c3ccccc32)cc1 ZINC000001598327 563395368 /nfs/dbraw/zinc/39/53/68/563395368.db2.gz OUGFYYVYMKCVQJ-UHFFFAOYSA-N 2 0 336.438 3.850 40 0 EHABRP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](C1CCCC1)CC2 ZINC000585102755 563971511 /nfs/dbraw/zinc/97/15/11/563971511.db2.gz DCCJHLZAGDTJAT-QGZVFWFLSA-N 2 0 348.556 3.851 40 0 EHABRP COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096051756 563978727 /nfs/dbraw/zinc/97/87/27/563978727.db2.gz NKHGEXUKDBOAPX-LJQANCHMSA-N 2 0 334.479 3.537 40 0 EHABRP C[C@@H]1[C@H](C[NH2+]CCC[NH+](C)C)[C@@H](C)C[C@@]2(C)Oc3ccccc3C[C@@H]12 ZINC000005028772 564005781 /nfs/dbraw/zinc/00/57/81/564005781.db2.gz LNUAAHAFERZTED-AKWHDMJJSA-N 2 0 344.543 3.830 40 0 EHABRP NC(=[NH2+])SCc1ccc(Oc2ccc(CSC(N)=[NH2+])cc2)cc1 ZINC000004642974 201608772 /nfs/dbraw/zinc/60/87/72/201608772.db2.gz FFBUNJWRJDJCFF-UHFFFAOYSA-N 2 0 346.481 3.732 40 0 EHABRP COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096051755 563978690 /nfs/dbraw/zinc/97/86/90/563978690.db2.gz CFOAIVOFQGPHMF-KRWDZBQOSA-N 2 0 336.545 3.768 40 0 EHABRP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008377044 563628256 /nfs/dbraw/zinc/62/82/56/563628256.db2.gz RAGRZCRENIIGSH-UHFFFAOYSA-N 2 0 348.874 3.627 40 0 EHABRP Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccccn4)C2)C3)cc1 ZINC000306140559 564062323 /nfs/dbraw/zinc/06/23/23/564062323.db2.gz UXFOWMYEUAUGSF-NRFANRHFSA-N 2 0 348.425 3.533 40 0 EHABRP Cc1noc(C)c1C[NH+]1CCC2(CC([N@H+](C)Cc3ccco3)C2)CC1 ZINC000096159254 563979820 /nfs/dbraw/zinc/97/98/20/563979820.db2.gz HUVQGBKZOJDVJW-UHFFFAOYSA-N 2 0 343.471 3.761 40 0 EHABRP c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCOC1)CC21CC[NH+](CC2CC2)CC1 ZINC000096241465 563980504 /nfs/dbraw/zinc/98/05/04/563980504.db2.gz ATFOLBLRVPDHRJ-NQIIRXRSSA-N 2 0 340.511 3.501 40 0 EHABRP CC[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cccnc1)c1ccccc1O2 ZINC000096079747 563979137 /nfs/dbraw/zinc/97/91/37/563979137.db2.gz OHDWIIGCNMPSGA-LJQANCHMSA-N 2 0 337.467 3.550 40 0 EHABRP CCCCC[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C=C(C)[C@@H]1C(=O)OCC ZINC000005163995 564031521 /nfs/dbraw/zinc/03/15/21/564031521.db2.gz JRFXBJKUUCWENF-FHWLQOOXSA-N 2 0 338.536 3.622 40 0 EHABRP C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)[C@@H]1C ZINC000072394697 216193340 /nfs/dbraw/zinc/19/33/40/216193340.db2.gz BAPBSMKYRBBHSL-HUUCEWRRSA-N 2 0 326.488 3.650 40 0 EHABRP Cc1c2ccc(C)cc2oc1C[NH+]1CCC(N(C)CC[NH+](C)C)CC1 ZINC000019218018 212005976 /nfs/dbraw/zinc/00/59/76/212005976.db2.gz GOAUQUTUMQAXKT-UHFFFAOYSA-N 2 0 343.515 3.507 40 0 EHABRP Cc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000019216420 212005598 /nfs/dbraw/zinc/00/55/98/212005598.db2.gz REURJAQMFZDVHW-MRXNPFEDSA-N 2 0 334.504 3.736 40 0 EHABRP C[C@@H]1C[C@@]2(C)Oc3ccccc3C[C@H]2[C@H](C)[C@@H]1C[NH2+]CCC[NH+](C)C ZINC000005028770 210367594 /nfs/dbraw/zinc/36/75/94/210367594.db2.gz LNUAAHAFERZTED-AABFTTDASA-N 2 0 344.543 3.830 40 0 EHABRP NC(=[NH2+])c1ccc2oc(/C=C\c3cc4cc(C(N)=[NH2+])ccc4o3)cc2c1 ZINC000017047369 563830364 /nfs/dbraw/zinc/83/03/64/563830364.db2.gz MBFLUZMECMTQLU-ARJAWSKDSA-N 2 0 344.374 3.918 40 0 EHABRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484369 564051322 /nfs/dbraw/zinc/05/13/22/564051322.db2.gz KGEIHHUWMJPNNI-FHLIZLRMSA-N 2 0 342.462 3.597 40 0 EHABRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1O2 ZINC000019588420 212049185 /nfs/dbraw/zinc/04/91/85/212049185.db2.gz WKWOFAOLXRFOAT-UHFFFAOYSA-N 2 0 340.442 3.685 40 0 EHABRP C[NH+]1CCC2(CC1)C[N@H+](CCc1ccccc1)Cc1ccccc1O2 ZINC000012365240 211356612 /nfs/dbraw/zinc/35/66/12/211356612.db2.gz OLLGALWWNQVTPQ-UHFFFAOYSA-N 2 0 336.479 3.588 40 0 EHABRP COc1ccccc1-c1cnc2n1C[C@]1(CC[N@H+](Cc3ccco3)C1)C2 ZINC000306140495 564062339 /nfs/dbraw/zinc/06/23/39/564062339.db2.gz UVAPGIPVBWBGQO-OAQYLSRUSA-N 2 0 349.434 3.600 40 0 EHABRP c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cs1 ZINC000096046508 563978112 /nfs/dbraw/zinc/97/81/12/563978112.db2.gz FNESYTVMCWTOLI-UHFFFAOYSA-N 2 0 327.497 3.631 40 0 EHABRP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585103914 563971466 /nfs/dbraw/zinc/97/14/66/563971466.db2.gz UAOQSTPJYFMBEO-SFHVURJKSA-N 2 0 348.556 3.709 40 0 EHABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CC1CCCC1)CC2 ZINC000585102732 563971500 /nfs/dbraw/zinc/97/15/00/563971500.db2.gz CCBYHRVJBWWBNZ-LJQANCHMSA-N 2 0 346.515 3.630 40 0 EHABRP C[C@@H]1CC(C)(C)[NH2+]CCSCc2ccccc2CSCC[NH2+]1 ZINC000068604940 215320999 /nfs/dbraw/zinc/32/09/99/215320999.db2.gz XUFFRKBEAAENRG-OAHLLOKOSA-N 2 0 338.586 3.903 40 0 EHABRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096051567 563978621 /nfs/dbraw/zinc/97/86/21/563978621.db2.gz ZJDWGWUAYJUVJG-IBGZPJMESA-N 2 0 325.456 3.551 40 0 EHABRP C[C@@H]1C[C@@]2(C)Oc3ccccc3C[C@@H]2[C@@H](C)[C@@H]1C[NH2+]CCC[NH+](C)C ZINC000013119897 564019557 /nfs/dbraw/zinc/01/95/57/564019557.db2.gz LNUAAHAFERZTED-HTJFHPCASA-N 2 0 344.543 3.830 40 0 EHABRP CC1(C)CC([N@@H+](Cc2ccccc2)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000013992747 564020801 /nfs/dbraw/zinc/02/08/01/564020801.db2.gz BYYRYQVJWVRUFK-SFHVURJKSA-N 2 0 330.516 3.834 40 0 EHABRP CC1(C)CC([N@@H+](Cc2ccccc2F)C[C@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740474 213114577 /nfs/dbraw/zinc/11/45/77/213114577.db2.gz FXPLSISVEIUXPU-MRXNPFEDSA-N 2 0 348.506 3.973 40 0 EHABRP C[NH2+]CCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008377059 563628334 /nfs/dbraw/zinc/62/83/34/563628334.db2.gz WIMFFNWVANOERP-UHFFFAOYSA-N 2 0 348.874 3.627 40 0 EHABRP CC(C)[NH+]1CCC2(CC1)C[N@H+](CC1CCOCC1)Cc1ccccc12 ZINC000096242415 563980546 /nfs/dbraw/zinc/98/05/46/563980546.db2.gz IBAKXBNHJKUPIF-UHFFFAOYSA-N 2 0 342.527 3.671 40 0 EHABRP Cc1[nH+]cc2cc(C)nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n21 ZINC000257231649 244215714 /nfs/dbraw/zinc/21/57/14/244215714.db2.gz GHQATKYLVNLTRP-QGZVFWFLSA-N 2 0 338.430 3.865 40 0 EHABRP COC[C@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585103821 563971453 /nfs/dbraw/zinc/97/14/53/563971453.db2.gz RTMQRVCCRAQNIB-LJQANCHMSA-N 2 0 348.556 3.709 40 0 EHABRP c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCOC1)CC21CC[NH+](CC2CC2)CC1 ZINC000096241464 563980516 /nfs/dbraw/zinc/98/05/16/563980516.db2.gz ATFOLBLRVPDHRJ-WIYYLYMNSA-N 2 0 340.511 3.501 40 0 EHABRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cccnc1)CC2 ZINC000096051569 563978587 /nfs/dbraw/zinc/97/85/87/563978587.db2.gz KUBIXCAAZARWFZ-IBGZPJMESA-N 2 0 325.456 3.551 40 0 EHABRP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257278526 564054594 /nfs/dbraw/zinc/05/45/94/564054594.db2.gz OCPCHXBYUWMGIP-GOSISDBHSA-N 2 0 333.439 3.555 40 0 EHABRP Cc1c(C)c(-c2ccc(C(N)=[NH2+])cc2)oc1-c1ccc(C(N)=[NH2+])cc1 ZINC000001568074 564093369 /nfs/dbraw/zinc/09/33/69/564093369.db2.gz KUBQARQJQHKFTA-UHFFFAOYSA-N 2 0 332.407 3.799 40 0 EHABRP O=C(C[NH2+]C1CCCCC1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000035313636 213021166 /nfs/dbraw/zinc/02/11/66/213021166.db2.gz ISYJENHYHLFMJH-UHFFFAOYSA-N 2 0 329.488 3.533 40 0 EHABRP CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000000494069 563997457 /nfs/dbraw/zinc/99/74/57/563997457.db2.gz TWTOFPRZEXCURK-JZXOWHBKSA-N 2 0 334.504 3.645 40 0 EHABRP COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585103818 563971457 /nfs/dbraw/zinc/97/14/57/563971457.db2.gz RTMQRVCCRAQNIB-IBGZPJMESA-N 2 0 348.556 3.709 40 0 EHABRP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cccnc2)CC3)c1 ZINC000096046532 563978028 /nfs/dbraw/zinc/97/80/28/563978028.db2.gz KJPBPSSZKCPJJP-UHFFFAOYSA-N 2 0 327.497 3.631 40 0 EHABRP c1ccc2c(c1)[C@H]([NH2+]C1CCOCC1)CC21CC[NH+](CC2CC2)CC1 ZINC000096241466 563980541 /nfs/dbraw/zinc/98/05/41/563980541.db2.gz NVTQPSXYMWZGGF-OAQYLSRUSA-N 2 0 340.511 3.644 40 0 EHABRP CC1(C)CC([N@@H+](Cc2ccccc2)C[C@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000013992750 564020785 /nfs/dbraw/zinc/02/07/85/564020785.db2.gz BYYRYQVJWVRUFK-GOSISDBHSA-N 2 0 330.516 3.834 40 0 EHABRP Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccccn4)C2)C3)cc1 ZINC000306140560 564062348 /nfs/dbraw/zinc/06/23/48/564062348.db2.gz UXFOWMYEUAUGSF-OAQYLSRUSA-N 2 0 348.425 3.533 40 0 EHABRP Fc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H]2CCOC2)CC3)c1 ZINC000096158405 563979775 /nfs/dbraw/zinc/97/97/75/563979775.db2.gz XVOQYPGVNGFQQQ-IBGZPJMESA-N 2 0 346.490 3.540 40 0 EHABRP CCCCC[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)C=C(C)[C@@H]1C(=O)OCC ZINC000005163991 564031532 /nfs/dbraw/zinc/03/15/32/564031532.db2.gz JRFXBJKUUCWENF-OTWHNJEPSA-N 2 0 338.536 3.622 40 0 EHABRP Cc1ccc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc1 ZINC000019210397 212004834 /nfs/dbraw/zinc/00/48/34/212004834.db2.gz ZRBZFASVKAFNAZ-UHFFFAOYSA-N 2 0 336.479 3.854 40 0 EHABRP [NH3+]C[C@H]1CC[C@H]([C@H]([NH2+]Cc2cccc(F)c2)c2ccccn2)CC1 ZINC000257214784 563967153 /nfs/dbraw/zinc/96/71/53/563967153.db2.gz CNKULNYGOMGBTJ-KNBMTAEXSA-N 2 0 327.447 3.817 40 0 EHABRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048003 563978382 /nfs/dbraw/zinc/97/83/82/563978382.db2.gz MIBLPZQLZIPZTQ-KRWDZBQOSA-N 2 0 346.496 3.597 40 0 EHABRP C/C(=C\c1ccccc1)C[N@@H+]1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000072390787 216191350 /nfs/dbraw/zinc/19/13/50/216191350.db2.gz TUXIKMHUJKZDDR-RYEVTAHJSA-N 2 0 348.494 3.753 40 0 EHABRP C[C@H]1CC(C)(C)[NH2+]CCSCc2ccccc2CSCC[NH2+]1 ZINC000068604943 215321560 /nfs/dbraw/zinc/32/15/60/215321560.db2.gz XUFFRKBEAAENRG-HNNXBMFYSA-N 2 0 338.586 3.903 40 0 EHABRP Cc1ccccc1C1(O)CC[NH+](Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000012188735 211316104 /nfs/dbraw/zinc/31/61/04/211316104.db2.gz BOUJSVOBSUXQJN-UHFFFAOYSA-N 2 0 338.495 3.540 40 0 EHABRP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(F)c1)Cc1ccccc1O2 ZINC000019588424 212048076 /nfs/dbraw/zinc/04/80/76/212048076.db2.gz LFOZLYYEWWUNNB-UHFFFAOYSA-N 2 0 340.442 3.685 40 0 EHABRP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008377066 210942718 /nfs/dbraw/zinc/94/27/18/210942718.db2.gz ZPIGANXRERQCNK-UHFFFAOYSA-N 2 0 348.874 3.627 40 0 EHABRP Cc1cc(-c2ccccc2)cc(C[n+]2ccccc2)[n+]1-c1ccccn1 ZINC000013214388 563692309 /nfs/dbraw/zinc/69/23/09/563692309.db2.gz HKPLSWFTTXZNRT-UHFFFAOYSA-N 2 0 339.442 3.670 40 0 EHABRP CC[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cccnc1)c1ccccc1O2 ZINC000096079746 563979104 /nfs/dbraw/zinc/97/91/04/563979104.db2.gz OHDWIIGCNMPSGA-IBGZPJMESA-N 2 0 337.467 3.550 40 0 EHABRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048002 563978318 /nfs/dbraw/zinc/97/83/18/563978318.db2.gz MIBLPZQLZIPZTQ-QGZVFWFLSA-N 2 0 346.496 3.597 40 0 EHABRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCOCC2)C3)s1 ZINC000096215368 563980227 /nfs/dbraw/zinc/98/02/27/563980227.db2.gz NUASKEFUPHZHNI-FQEVSTJZSA-N 2 0 348.556 3.771 40 0 EHABRP CC1(C)CC([N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740460 213114835 /nfs/dbraw/zinc/11/48/35/213114835.db2.gz PLMKXYQUULNCFP-KRWDZBQOSA-N 2 0 348.506 3.973 40 0 EHABRP c1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC000096048947 563978310 /nfs/dbraw/zinc/97/83/10/563978310.db2.gz GFODEHCXGXOQQK-UHFFFAOYSA-N 2 0 342.508 3.615 40 0 EHABRP C[NH+](C)Cc1cc(C[NH+](C)C)c(O)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000003139912 564012933 /nfs/dbraw/zinc/01/29/33/564012933.db2.gz AREAHNNPGYRXTQ-UHFFFAOYSA-N 2 0 341.499 3.875 40 0 EHABRP COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@H+](Cc3ccco3)C1)C2 ZINC000306140494 564062278 /nfs/dbraw/zinc/06/22/78/564062278.db2.gz UVAPGIPVBWBGQO-NRFANRHFSA-N 2 0 349.434 3.600 40 0 EHABRP C/C(=C\c1ccccc1)C[N@@H+]1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000072390786 216191142 /nfs/dbraw/zinc/19/11/42/216191142.db2.gz TUXIKMHUJKZDDR-ZDJZVTAXSA-N 2 0 348.494 3.753 40 0 EHABRP c1coc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)c1 ZINC000096047196 563978172 /nfs/dbraw/zinc/97/81/72/563978172.db2.gz YFYBQHTWYHMBBQ-UHFFFAOYSA-N 2 0 325.456 3.553 40 0 EHABRP [NH3+]C[C@H]1CC[C@H]([C@H]([NH2+]Cc2cccc(F)c2)c2ccccn2)CC1 ZINC000100749976 219105754 /nfs/dbraw/zinc/10/57/54/219105754.db2.gz CNKULNYGOMGBTJ-VPWXQRGCSA-N 2 0 327.447 3.817 40 0 EHABRP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccncc2)CC3)c1 ZINC000096046533 563978128 /nfs/dbraw/zinc/97/81/28/563978128.db2.gz LBUKHPCLYPURTF-UHFFFAOYSA-N 2 0 327.497 3.631 40 0 EHABRP C[N@H+](Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)C1CCCCC1 ZINC000072394687 216192877 /nfs/dbraw/zinc/19/28/77/216192877.db2.gz MFEDWBIICQVBSS-UHFFFAOYSA-N 2 0 326.488 3.794 40 0 EHABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CC1CCCC1)CC2 ZINC000585102731 563971509 /nfs/dbraw/zinc/97/15/09/563971509.db2.gz CCBYHRVJBWWBNZ-IBGZPJMESA-N 2 0 346.515 3.630 40 0 EHABRP Cc1noc(C)c1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC000096051561 563978635 /nfs/dbraw/zinc/97/86/35/563978635.db2.gz DDCQLOZLHHDWDJ-LJQANCHMSA-N 2 0 343.471 3.761 40 0 EHABRP c1ccc2c(c1)[C@@H]([NH2+]C1CCOCC1)CC21CC[NH+](CC2CC2)CC1 ZINC000096241467 563980511 /nfs/dbraw/zinc/98/05/11/563980511.db2.gz NVTQPSXYMWZGGF-NRFANRHFSA-N 2 0 340.511 3.644 40 0 EHABRP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](C1CCCC1)CC2 ZINC000585102754 563971539 /nfs/dbraw/zinc/97/15/39/563971539.db2.gz DCCJHLZAGDTJAT-KRWDZBQOSA-N 2 0 348.556 3.851 40 0 EHABRP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)c1 ZINC000096046531 563978087 /nfs/dbraw/zinc/97/80/87/563978087.db2.gz GPNOWVLDOYGETE-UHFFFAOYSA-N 2 0 327.497 3.631 40 0 EHABRP C[C@@H]1C[C@]2(C)Oc3ccccc3C[C@H]2[C@H](C)[C@@H]1C[NH2+]CCC[NH+](C)C ZINC000004026978 210102924 /nfs/dbraw/zinc/10/29/24/210102924.db2.gz LNUAAHAFERZTED-CYVQNBIGSA-N 2 0 344.543 3.830 40 0 EHABRP C[N@H+](CCc1ccccc1)Cc1c2cccnc2[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000072394713 216193126 /nfs/dbraw/zinc/19/31/26/216193126.db2.gz ONEZYLKEMIGIJF-GOSISDBHSA-N 2 0 348.494 3.704 40 0 EHABRP Cc1ccccc1C[N@@H+]1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000019237270 212008423 /nfs/dbraw/zinc/00/84/23/212008423.db2.gz GGPTWDKHKYVTAW-UHFFFAOYSA-N 2 0 336.479 3.854 40 0 EHABRP C[C@H]1C[C@@]2(C)Oc3ccccc3C[C@@H]2[C@@H](C)[C@@H]1C[NH2+]CCC[NH+](C)C ZINC000013119899 564019555 /nfs/dbraw/zinc/01/95/55/564019555.db2.gz LNUAAHAFERZTED-WEAICFBNSA-N 2 0 344.543 3.830 40 0 EHABRP C[N@H+](Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000072394681 216192163 /nfs/dbraw/zinc/19/21/63/216192163.db2.gz YREMXCRIMVDMKO-UHFFFAOYSA-N 2 0 334.467 3.662 40 0 EHABRP Cc1noc(C)c1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC000096051560 563978600 /nfs/dbraw/zinc/97/86/00/563978600.db2.gz DDCQLOZLHHDWDJ-IBGZPJMESA-N 2 0 343.471 3.761 40 0 EHABRP COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096051757 563978665 /nfs/dbraw/zinc/97/86/65/563978665.db2.gz NKHGEXUKDBOAPX-IBGZPJMESA-N 2 0 334.479 3.537 40 0 EHABRP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)Cc1ccccc1O2 ZINC000019588434 212048745 /nfs/dbraw/zinc/04/87/45/212048745.db2.gz RFKVIBDHWZXRHF-UHFFFAOYSA-N 2 0 328.481 3.607 40 0 EHABRP C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)[C@H]1C ZINC000247851829 564124514 /nfs/dbraw/zinc/12/45/14/564124514.db2.gz BAPBSMKYRBBHSL-GJZGRUSLSA-N 2 0 326.488 3.650 40 0 EHABRP CC1(C)CC([N@@H+](Cc2ccc(F)cc2)C[C@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740461 213114199 /nfs/dbraw/zinc/11/41/99/213114199.db2.gz PLMKXYQUULNCFP-QGZVFWFLSA-N 2 0 348.506 3.973 40 0 EHABRP O=C(C[NH2+]C1CCCCCC1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000035313638 213020472 /nfs/dbraw/zinc/02/04/72/213020472.db2.gz IMIVWSMILHKKCU-UHFFFAOYSA-N 2 0 343.515 3.923 40 0 EHABRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096051571 563978625 /nfs/dbraw/zinc/97/86/25/563978625.db2.gz VNUNSQKEXKQEIK-IBGZPJMESA-N 2 0 325.456 3.551 40 0 EHABRP [NH3+]C[C@H]1CC[C@H]([C@@H]([NH2+]Cc2cccc(F)c2)c2ccccn2)CC1 ZINC000100749978 219105662 /nfs/dbraw/zinc/10/56/62/219105662.db2.gz CNKULNYGOMGBTJ-OXFYSEKESA-N 2 0 327.447 3.817 40 0 EHABRP c1csc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC000096046506 563978072 /nfs/dbraw/zinc/97/80/72/563978072.db2.gz QZCJMNMWWCRASM-UHFFFAOYSA-N 2 0 327.497 3.631 40 0 EHABRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](CC2CC2)CC3)c1 ZINC000096047250 563978167 /nfs/dbraw/zinc/97/81/67/563978167.db2.gz IHVQERXZRCWWBA-UHFFFAOYSA-N 2 0 328.500 3.783 40 0 EHABRP Fc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H]2CCOC2)CC3)c1 ZINC000096158406 563979772 /nfs/dbraw/zinc/97/97/72/563979772.db2.gz XVOQYPGVNGFQQQ-LJQANCHMSA-N 2 0 346.490 3.540 40 0 EHABRP C[N@H+](CCc1ccccc1)Cc1c2cccnc2[nH]c1[C@H]1CCC[NH2+]C1 ZINC000072394714 216192548 /nfs/dbraw/zinc/19/25/48/216192548.db2.gz ONEZYLKEMIGIJF-SFHVURJKSA-N 2 0 348.494 3.704 40 0 EHABRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096051566 563978564 /nfs/dbraw/zinc/97/85/64/563978564.db2.gz ZJDWGWUAYJUVJG-LJQANCHMSA-N 2 0 325.456 3.551 40 0 EHABRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047999 563978314 /nfs/dbraw/zinc/97/83/14/563978314.db2.gz PBDCFWBVNRNREX-INIZCTEOSA-N 2 0 346.496 3.597 40 0 EHABRP c1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cs1 ZINC000096048949 563978359 /nfs/dbraw/zinc/97/83/59/563978359.db2.gz BDIIVTHVBIYAPX-UHFFFAOYSA-N 2 0 342.508 3.615 40 0 EHABRP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257278527 564054613 /nfs/dbraw/zinc/05/46/13/564054613.db2.gz OCPCHXBYUWMGIP-SFHVURJKSA-N 2 0 333.439 3.555 40 0 EHABRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047998 563978352 /nfs/dbraw/zinc/97/83/52/563978352.db2.gz PBDCFWBVNRNREX-MRXNPFEDSA-N 2 0 346.496 3.597 40 0 EHABRP Nc1ccc2[nH]c(CCCCCCc3[nH]c4ccc(N)cc4[nH+]3)[nH+]c2c1 ZINC000013151400 563691392 /nfs/dbraw/zinc/69/13/92/563691392.db2.gz PTSIRYAGKQFWLI-UHFFFAOYSA-N 2 0 348.454 3.949 40 0 EHABRP Cc1[nH+]cc2cncc(C3CC[NH+](Cc4c[nH]c5ccccc45)CC3)n21 ZINC000585182386 563975109 /nfs/dbraw/zinc/97/51/09/563975109.db2.gz FFDNKDNKQQUBLT-UHFFFAOYSA-N 2 0 345.450 3.899 40 0 EHABRP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1 ZINC000072394698 216192806 /nfs/dbraw/zinc/19/28/06/216192806.db2.gz BAPBSMKYRBBHSL-LSDHHAIUSA-N 2 0 326.488 3.650 40 0 EHABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)cc1C ZINC000096220783 218696739 /nfs/dbraw/zinc/69/67/39/218696739.db2.gz HFQJAQQMMHNEEO-FQEVSTJZSA-N 2 0 328.500 3.523 40 0 EHABRP CC[N@@H+]1Cc2ccccc2C2(CC[NH+](Cc3c(C)noc3C)CC2)C1 ZINC000096242607 563980588 /nfs/dbraw/zinc/98/05/88/563980588.db2.gz KTADUFMOJOIRAO-UHFFFAOYSA-N 2 0 339.483 3.661 40 0 EHABRP