smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)[C@H]3OC)OCCCO2 ZINC000217011663 241229955 /nfs/dbraw/zinc/22/99/55/241229955.db2.gz YNDDUVYLAAEQJQ-BDQBCWGISA-N 0 3 333.428 2.713 50 70 EFIAHN Cc1ccc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)c(F)c1 ZINC000217989152 241290276 /nfs/dbraw/zinc/29/02/76/241290276.db2.gz NHMQNTAWZQOKDH-MRXNPFEDSA-N 0 3 334.435 2.851 50 70 EFIAHN O=C(c1cc2sccc2[nH]1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000217083192 241235852 /nfs/dbraw/zinc/23/58/52/241235852.db2.gz TZKCDQQGKPYUSN-ZDUSSCGKSA-N 0 3 333.457 2.556 50 70 EFIAHN O=C(c1ccc2[nH]ccc2c1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000217197914 241240763 /nfs/dbraw/zinc/24/07/63/241240763.db2.gz YVTVYCBDGRCZCB-SFHVURJKSA-N 0 3 341.455 2.885 50 70 EFIAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 ZINC000218641578 241336845 /nfs/dbraw/zinc/33/68/45/241336845.db2.gz DLCMNLBXUDEFBL-HXUWFJFHSA-N 0 3 342.483 2.939 50 70 EFIAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 ZINC000218641495 241337346 /nfs/dbraw/zinc/33/73/46/241337346.db2.gz DLCMNLBXUDEFBL-FQEVSTJZSA-N 0 3 342.483 2.939 50 70 EFIAHN Cc1nc2cc(CNC(=O)CN3CC[C@@H](c4ccccc4)C3)ccc2[nH]1 ZINC000217368886 241246259 /nfs/dbraw/zinc/24/62/59/241246259.db2.gz ZPAHDCZSKKJOSG-GOSISDBHSA-N 0 3 348.450 2.977 50 70 EFIAHN Cc1nc2ccc(CNC(=O)CN3CC[C@@H](c4ccccc4)C3)cc2[nH]1 ZINC000217368886 241246265 /nfs/dbraw/zinc/24/62/65/241246265.db2.gz ZPAHDCZSKKJOSG-GOSISDBHSA-N 0 3 348.450 2.977 50 70 EFIAHN O=C(c1cc2sccc2[nH]1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000217083205 241235382 /nfs/dbraw/zinc/23/53/82/241235382.db2.gz TZKCDQQGKPYUSN-CYBMUJFWSA-N 0 3 333.457 2.556 50 70 EFIAHN Cc1cc(CC(=O)NC[C@@H](c2ccccc2)N2CCCCC2)on1 ZINC000217565091 241259400 /nfs/dbraw/zinc/25/94/00/241259400.db2.gz UPNMKVSMNSWHOR-SFHVURJKSA-N 0 3 327.428 2.869 50 70 EFIAHN Cc1ccc(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)c(F)c1 ZINC000217989074 241289340 /nfs/dbraw/zinc/28/93/40/241289340.db2.gz NHMQNTAWZQOKDH-INIZCTEOSA-N 0 3 334.435 2.851 50 70 EFIAHN O=C(N1CCCO[C@H](CN2CCCCC2)C1)C1(c2ccccc2)CC1 ZINC000217843483 474143661 /nfs/dbraw/zinc/14/36/61/474143661.db2.gz QKLBMRVCDKJEQN-LJQANCHMSA-N 0 3 342.483 2.822 50 70 EFIAHN CCN(CCN1CCCCCC1)C(=O)c1cc(C(C)C)nc(N)n1 ZINC000218127198 241299984 /nfs/dbraw/zinc/29/99/84/241299984.db2.gz HBUWNSBCNAREJM-UHFFFAOYSA-N 0 3 333.480 2.520 50 70 EFIAHN Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000217804515 241275369 /nfs/dbraw/zinc/27/53/69/241275369.db2.gz ZYEPWVLYWBBSHM-SFHVURJKSA-N 0 3 340.471 2.994 50 70 EFIAHN O=C(c1ccccc1OC(F)(F)C(F)F)N1CCN2CCC[C@@H]2C1 ZINC000218445979 241321472 /nfs/dbraw/zinc/32/14/72/241321472.db2.gz OABOELXKDKXXNH-LLVKDONJSA-N 0 3 346.324 2.844 50 70 EFIAHN Cc1cc(C)n(-c2ccc(F)cc2CN2C[C@H]3CC[C@@H](C2)[C@H]3O)n1 ZINC000217544691 241257542 /nfs/dbraw/zinc/25/75/42/241257542.db2.gz MYKQAMMGPSUKLI-QWHZDKJVSA-N 0 3 329.419 2.831 50 70 EFIAHN Cc1noc(C)c1CCCNC(=O)C1CCN(Cc2ccco2)CC1 ZINC000218014312 241292113 /nfs/dbraw/zinc/29/21/13/241292113.db2.gz IJJYAYDFJKFODW-UHFFFAOYSA-N 0 3 345.443 2.845 50 70 EFIAHN Cn1c(CN2CCN(CC3CC3)[C@@H](CCO)C2)cc2cc(F)ccc21 ZINC000217573540 241261466 /nfs/dbraw/zinc/26/14/66/241261466.db2.gz HCBLPAARALVTAV-SFHVURJKSA-N 0 3 345.462 2.596 50 70 EFIAHN O[C@H]1[C@@H]2CC[C@H]1CN(Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 ZINC000217072815 241236596 /nfs/dbraw/zinc/23/65/96/241236596.db2.gz OERXMKIZYBBEKX-QLPKVWCKSA-N 0 3 329.831 3.000 50 70 EFIAHN CN(Cc1ccc(N(C)C)nc1)CC1(N2CCOCC2)CCCCC1 ZINC000217126758 241236161 /nfs/dbraw/zinc/23/61/61/241236161.db2.gz DQYPUQZMJKXQNS-UHFFFAOYSA-N 0 3 346.519 2.615 50 70 EFIAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1C[C@H]2CC[C@@H](C1)[C@H]2O ZINC000217212601 241240944 /nfs/dbraw/zinc/24/09/44/241240944.db2.gz XKFYSVVTLLHVCR-QWHZDKJVSA-N 0 3 329.419 2.831 50 70 EFIAHN CCc1csc(CNC(=O)C2(c3ccccc3)CCN(C)CC2)n1 ZINC000218607029 241335296 /nfs/dbraw/zinc/33/52/96/241335296.db2.gz SLKCYAZLICPRBT-UHFFFAOYSA-N 0 3 343.496 2.985 50 70 EFIAHN O=C(N1CCCO[C@@H](CN2CCCCC2)C1)C1(c2ccccc2)CC1 ZINC000217843452 474143831 /nfs/dbraw/zinc/14/38/31/474143831.db2.gz QKLBMRVCDKJEQN-IBGZPJMESA-N 0 3 342.483 2.822 50 70 EFIAHN CO[C@H]1[C@@H]2CC[C@H]1CN(Cc1cnc(NCc3ccccc3)nc1)C2 ZINC000216991511 241230536 /nfs/dbraw/zinc/23/05/36/241230536.db2.gz CGEYYFYZTCBWRF-BWTSREIZSA-N 0 3 338.455 2.946 50 70 EFIAHN CN1CCC(CNC(=O)C(=O)c2ccccc2)(c2ccccc2)CC1 ZINC000217178145 241239308 /nfs/dbraw/zinc/23/93/08/241239308.db2.gz OWOIWKOXVRMIHL-UHFFFAOYSA-N 0 3 336.435 2.649 50 70 EFIAHN O=C(c1ccc2[nH]ccc2c1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000217197923 241242441 /nfs/dbraw/zinc/24/24/41/241242441.db2.gz YVTVYCBDGRCZCB-GOSISDBHSA-N 0 3 341.455 2.885 50 70 EFIAHN Cc1nc2cc(CNC(=O)CN3CC[C@H](c4ccccc4)C3)ccc2[nH]1 ZINC000217368965 241245766 /nfs/dbraw/zinc/24/57/66/241245766.db2.gz ZPAHDCZSKKJOSG-SFHVURJKSA-N 0 3 348.450 2.977 50 70 EFIAHN Cc1nc2ccc(CNC(=O)CN3CC[C@H](c4ccccc4)C3)cc2[nH]1 ZINC000217368965 241245773 /nfs/dbraw/zinc/24/57/73/241245773.db2.gz ZPAHDCZSKKJOSG-SFHVURJKSA-N 0 3 348.450 2.977 50 70 EFIAHN Cc1cc(CC(=O)NC[C@H](c2ccccc2)N2CCCCC2)on1 ZINC000217565159 241259758 /nfs/dbraw/zinc/25/97/58/241259758.db2.gz UPNMKVSMNSWHOR-GOSISDBHSA-N 0 3 327.428 2.869 50 70 EFIAHN Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000217804590 241275033 /nfs/dbraw/zinc/27/50/33/241275033.db2.gz ZYEPWVLYWBBSHM-GOSISDBHSA-N 0 3 340.471 2.994 50 70 EFIAHN Cc1oncc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC000216930048 241224917 /nfs/dbraw/zinc/22/49/17/241224917.db2.gz MZFNPIVEMQLRTN-SJORKVTESA-N 0 3 325.412 2.720 50 70 EFIAHN CN1CCC(O)(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000218739335 241341489 /nfs/dbraw/zinc/34/14/89/241341489.db2.gz QBIPGSIDFDOXTQ-UHFFFAOYSA-N 0 3 342.414 2.679 50 70 EFIAHN O=C(c1ccccc1OC(F)(F)C(F)F)N1CCN2CCC[C@H]2C1 ZINC000218446069 241322354 /nfs/dbraw/zinc/32/23/54/241322354.db2.gz OABOELXKDKXXNH-NSHDSACASA-N 0 3 346.324 2.844 50 70 EFIAHN