smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(S(=O)(=O)n2cc3c4c2cccc4N2CCNC[C@@H]2C3)c1 ZINC000169351341 206253518 /nfs/dbraw/zinc/25/35/18/206253518.db2.gz MIIIQNSWBUGKEY-INIZCTEOSA-N 0 3 367.474 2.521 1 0 FFAFHN O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1ccccc1 ZINC000067490346 205373589 /nfs/dbraw/zinc/37/35/89/205373589.db2.gz SKHBFTJAZMYZRG-QFIPXVFZSA-N 0 3 352.478 2.763 1 0 FFAFHN O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@H]1CCCCN1 ZINC000169302637 206249185 /nfs/dbraw/zinc/24/91/85/206249185.db2.gz LNOUDWPQEHYKOB-HZPDHXFCSA-N 0 3 360.408 2.786 1 0 FFAFHN O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(C2CCCCC2)CC1 ZINC000103009289 222317873 /nfs/dbraw/zinc/31/78/73/222317873.db2.gz UZFUCLLTNNGIJF-GOSISDBHSA-N 0 3 373.472 2.576 1 0 FFAFHN O=C(NCCN1CCCC1)c1ccc(-n2sc3ccccc3c2=O)cc1 ZINC000064693646 205303566 /nfs/dbraw/zinc/30/35/66/205303566.db2.gz RLRAGKGBFIOSKB-UHFFFAOYSA-N 0 3 367.474 2.878 1 0 FFAFHN O=c1oc2ncccc2n1CCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000028264075 132377961 /nfs/dbraw/zinc/37/79/61/132377961.db2.gz NWWIANVERZWOLK-UHFFFAOYSA-N 0 3 370.428 2.731 1 0 FFAFHN CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(C)(C)C)CC2)c1=O ZINC000049067332 205169297 /nfs/dbraw/zinc/16/92/97/205169297.db2.gz DOGYUXXGMZAOPV-UHFFFAOYSA-N 0 3 372.513 2.622 1 0 FFAFHN CC(C)c1n[nH]cc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1 ZINC000064513178 136133240 /nfs/dbraw/zinc/13/32/40/136133240.db2.gz MKJQNJOYGXZGII-UHFFFAOYSA-N 0 3 364.457 2.538 1 0 FFAFHN CCCCN(CC)CC(=O)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000002497648 132383575 /nfs/dbraw/zinc/38/35/75/132383575.db2.gz QKDPJAWNPPAUAP-UHFFFAOYSA-N 0 3 358.438 2.900 1 0 FFAFHN CC1(C)NC(=N)NC(=N)N1OCOc1cc(Cl)c(Cl)cc1Cl ZINC000045167830 205117413 /nfs/dbraw/zinc/11/74/13/205117413.db2.gz GCQTWOBVKUXCCM-UHFFFAOYSA-N 0 3 366.636 2.805 1 0 FFAFHN C[C@H](N)C(=O)Nc1nc2c(s1)CCCC[C@H]2C(=O)NCc1ccccc1 ZINC000045245888 205119085 /nfs/dbraw/zinc/11/90/85/205119085.db2.gz VQEHUSZRPBZZLV-GXTWGEPZSA-N 0 3 372.494 2.555 1 0 FFAFHN CCOC[C@@]1(CN2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049089705 205169089 /nfs/dbraw/zinc/16/90/89/205169089.db2.gz CKPMOWXBASFJMZ-NRFANRHFSA-N 0 3 371.433 2.795 1 0 FFAFHN O=C([C@H]1CCCN(c2ccncc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033128840 136117513 /nfs/dbraw/zinc/11/75/13/136117513.db2.gz PPBXERHBLGQSKB-KRWDZBQOSA-N 0 3 368.456 2.786 1 0 FFAFHN CN1CCC[C@@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1=O ZINC000012075623 506814244 /nfs/dbraw/zinc/81/42/44/506814244.db2.gz FMXYJXWFDOJFQQ-IBGZPJMESA-N 0 3 358.873 2.970 1 0 FFAFHN CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)CC1 ZINC000043196748 205101591 /nfs/dbraw/zinc/10/15/91/205101591.db2.gz QEYZDQKYDMAJAJ-UHFFFAOYSA-N 0 3 369.490 2.626 1 0 FFAFHN CN(CCCn1c(=O)[nH]c2ccc(Cl)cc2c1=O)Cc1ccccc1 ZINC000049073059 205169159 /nfs/dbraw/zinc/16/91/59/205169159.db2.gz PRRCKHKYWTUVDE-UHFFFAOYSA-N 0 3 357.841 2.865 1 0 FFAFHN CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1Cl ZINC000026823792 581096101 /nfs/dbraw/zinc/09/61/01/581096101.db2.gz RGVJFPMOLSXLGJ-UHFFFAOYSA-N 0 3 360.888 2.942 1 0 FFAFHN CC(=O)CCc1ccc(OC[C@H](O)CNCCOc2ccc(C)cc2)cc1 ZINC000007785765 207207603 /nfs/dbraw/zinc/20/76/03/207207603.db2.gz KBRFDAWLCOPJCL-HXUWFJFHSA-N 0 3 371.477 2.925 3 0 FFAFHN CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000004164073 207005415 /nfs/dbraw/zinc/00/54/15/207005415.db2.gz ZPZXBSYRQXXUMN-AYOQOUSVSA-N 0 3 369.465 2.932 1 0 FFAFHN O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CNCCO ZINC000040917305 208275074 /nfs/dbraw/zinc/27/50/74/208275074.db2.gz KXWMIMXRSRSFNJ-UHFFFAOYSA-N 0 3 357.413 2.660 1 0 FFAFHN Cc1ccc(S(=O)(=O)n2cc3c4c2cccc4N2CCNC[C@H]2C3)cc1 ZINC000118362910 132248092 /nfs/dbraw/zinc/24/80/92/132248092.db2.gz XDPLLMUFCKSYAJ-MRXNPFEDSA-N 0 3 367.474 2.521 1 0 FFAFHN Cc1ccc(S(=O)(=O)C2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000103679778 209255424 /nfs/dbraw/zinc/25/54/24/209255424.db2.gz PJQBNQWXRQYSNG-HHXXYDBFSA-N 0 3 357.431 2.550 1 0 FFAFHN COc1cc2nc3c(c(N)c2cc1OC)C[C@H](CNC(=O)c1ccoc1)C3 ZINC000103218939 209249590 /nfs/dbraw/zinc/24/95/90/209249590.db2.gz MXFRFAKAWOQMMJ-NSHDSACASA-N 0 3 367.405 2.572 1 0 FFAFHN Nc1cc(-c2ccc3c(n[nH]c3-c3ccc(N4CCNCC4)cc3)n2)ccn1 ZINC000073129476 136149866 /nfs/dbraw/zinc/14/98/66/136149866.db2.gz MOZROMRMFAGZKC-UHFFFAOYSA-N 0 3 371.448 2.679 1 0 FFAFHN CC(C)C[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O ZINC000103178801 209246434 /nfs/dbraw/zinc/24/64/34/209246434.db2.gz PDXPUILNDBSZBP-VFADXPBXSA-N 0 3 357.410 2.949 1 0 FFAFHN O=C(Nc1nnc(N2CCNCC2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000096935100 209162580 /nfs/dbraw/zinc/16/25/80/209162580.db2.gz HTUVKFKTULMMSC-UHFFFAOYSA-N 0 3 373.269 2.899 1 0 FFAFHN O=C(c1cccnc1F)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 ZINC000096273568 209149205 /nfs/dbraw/zinc/14/92/05/209149205.db2.gz KRLKCIZEBPFNDM-RTBURBONSA-N 0 3 354.425 2.644 1 0 FFAFHN Cc1nn(-c2ncccn2)cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000040894488 208274536 /nfs/dbraw/zinc/27/45/36/208274536.db2.gz BINOXUJJDNEMFH-UHFFFAOYSA-N 0 3 361.449 2.992 1 0 FFAFHN COC(=O)C1=C[C@@]23C=CCN4CC[C@@]5(c6cccc(OC)c6N[C@]15CC2)[C@@H]43 ZINC000014827760 291060054 /nfs/dbraw/zinc/06/00/54/291060054.db2.gz ODBHRWMYWUAHLS-DXBBTUNJSA-N 0 3 364.445 2.635 1 0 biogenic,in-vitro FFAFHN CCCNCC(=O)Nc1ccc([C@@H]2NC(=O)[C@H](C)c3ccccc32)cc1 ZINC000033823673 208099728 /nfs/dbraw/zinc/09/97/28/208099728.db2.gz RQORVHNEKKGADI-VLIAUNLRSA-N 0 3 351.450 2.947 1 0 FFAFHN CCOC(=O)N1CCC(CN2CC[C@@H](N3C(=O)Cc4ccccc43)C2)CC1 ZINC000095591578 209083675 /nfs/dbraw/zinc/08/36/75/209083675.db2.gz BPIMWCPHYBQONW-GOSISDBHSA-N 0 3 371.481 2.519 1 0 FFAFHN CN1C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)[N-]C1=NC(N)=[NH2+] ZINC000013734199 581098831 /nfs/dbraw/zinc/09/88/31/581098831.db2.gz ODJUKFKDSPPDFS-UVTDQMKNSA-N 0 3 371.485 2.639 1 0 FFAFHN COc1cc2nc(N3CCCN(C)CC3)nc(NC(C)C)c2cc1OC ZINC000036382501 208159551 /nfs/dbraw/zinc/15/95/51/208159551.db2.gz BWYAJHPZOGUXHA-UHFFFAOYSA-N 0 3 359.474 2.609 1 0 FFAFHN COc1cccnc1C(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 ZINC000096273573 222108580 /nfs/dbraw/zinc/10/85/80/222108580.db2.gz PMCMBOOIDHLTGJ-RTBURBONSA-N 0 3 366.461 2.513 1 0 FFAFHN CN(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1 ZINC000040956416 535992669 /nfs/dbraw/zinc/99/26/69/535992669.db2.gz VHSCMHRRZRZLFR-UHFFFAOYSA-N 0 3 370.478 2.962 1 0 FFAFHN CO[C@H]1O[C@@H]2c3cc4c(cc3CCN[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000034582186 291060916 /nfs/dbraw/zinc/06/09/16/291060916.db2.gz XXNNKVDBGXCFHP-GGPKGHCWSA-N 0 3 369.373 2.747 1 0 biogenic,in-vitro FFAFHN CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O ZINC000013821895 211062163 /nfs/dbraw/zinc/06/21/63/211062163.db2.gz XGLIHZCJAFMECG-AWEZNQCLSA-N 0 3 350.459 2.576 1 0 FFAFHN CCN1CCC[C@@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC ZINC000005650379 210229929 /nfs/dbraw/zinc/22/99/29/210229929.db2.gz CRDCKDWZBHLFAS-OAHLLOKOSA-N 0 3 352.450 2.820 1 0 FFAFHN CN1CCC[C@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1=O ZINC000012075626 210180915 /nfs/dbraw/zinc/18/09/15/210180915.db2.gz FMXYJXWFDOJFQQ-LJQANCHMSA-N 0 3 358.873 2.970 1 0 FFAFHN CCCc1cc(=O)[n-]c(-c2cccc(CN3CC[N@@H+]4CCC[C@@H]4C3)c2)n1 ZINC000020536145 521341258 /nfs/dbraw/zinc/34/12/58/521341258.db2.gz PIFBHUYNBOSBTN-LJQANCHMSA-N 0 3 352.482 2.669 1 0 FFAFHN CCCc1cc(=O)[n-]c(-c2cccc(CN3CC[N@H+]4CCC[C@@H]4C3)c2)n1 ZINC000020536145 521341266 /nfs/dbraw/zinc/34/12/66/521341266.db2.gz PIFBHUYNBOSBTN-LJQANCHMSA-N 0 3 352.482 2.669 1 0 FFAFHN COC(=O)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 ZINC000058511723 212011867 /nfs/dbraw/zinc/01/18/67/212011867.db2.gz OAUKJLMQNWFXRT-UHFFFAOYSA-N 0 3 366.208 2.652 1 0 FFAFHN CC(C)(C)c1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O ZINC000013755808 211057646 /nfs/dbraw/zinc/05/76/46/211057646.db2.gz DGHNFIBCAGFIJL-UHFFFAOYSA-N 0 3 368.458 2.711 1 0 FFAFHN FCCn1ccc2ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc21 ZINC000068245922 221313980 /nfs/dbraw/zinc/31/39/80/221313980.db2.gz ZRTUGMRLPXGKGZ-UHFFFAOYSA-N 0 3 355.417 2.945 1 0 FFAFHN O=C(O[C@H]1CN2CCC1CC2)[C@@H]1NCc2ccccc2[C@@H]1c1ccccc1 ZINC000061389380 212025706 /nfs/dbraw/zinc/02/57/06/212025706.db2.gz IGCKSKSSHBPKHO-FDFHNCONSA-N 0 3 362.473 2.928 3 0 in-man FFAFHN Brc1cnn2cc(-c3ccc(N4CCNCC4)cc3)cnc12 ZINC000096927000 132226543 /nfs/dbraw/zinc/22/65/43/132226543.db2.gz FDIYMCZJRDDQJK-UHFFFAOYSA-N 0 3 358.243 2.568 1 0 FFAFHN COc1ccc2sc(N3CCNC[C@H]3COc3cccnc3)nc2c1 ZINC000114579450 222502441 /nfs/dbraw/zinc/50/24/41/222502441.db2.gz SDUABLPTWFDAHS-ZDUSSCGKSA-N 0 3 356.451 2.557 1 0 FFAFHN O=C(c1ccccc1)N1CCC(N2CCc3cc(O)ccc3[C@H](O)C2)CC1 ZINC000064559385 212040964 /nfs/dbraw/zinc/04/09/64/212040964.db2.gz XZQGWQIWLXSEBC-OAQYLSRUSA-N 0 3 366.461 2.589 1 0 FFAFHN CCn1c(=O)n(C)nc1[C@@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000067934203 221305542 /nfs/dbraw/zinc/30/55/42/221305542.db2.gz MUFICTHCEAOWMU-QGZVFWFLSA-N 0 3 351.454 2.530 1 0 FFAFHN Fc1cccc([C@]2(CN3CCC(Oc4ncccn4)CC3)CCOC2)c1 ZINC000020821544 526398930 /nfs/dbraw/zinc/39/89/30/526398930.db2.gz GQSRALPCGPABHC-FQEVSTJZSA-N 0 3 357.429 2.817 1 0 FFAFHN Cc1ccc(S(=O)(=O)n2cc3c4c2cccc4[C@H](O)[C@@H](N(C)C)C3)cc1 ZINC000013864770 211062978 /nfs/dbraw/zinc/06/29/78/211062978.db2.gz OVDROBGSEQOKQB-ICSRJNTNSA-N 0 3 370.474 2.706 1 0 FFAFHN CCOC(=O)C1(c2ccc(I)cc2)CCN(C)CC1 ZINC000013610051 211042618 /nfs/dbraw/zinc/04/26/18/211042618.db2.gz BNYWEVINFWDOAV-UHFFFAOYSA-N 0 3 373.234 2.818 1 0 FFAFHN CC(=O)N1c2ccccc2C(=O)C1N1CCN(c2ccc(F)cc2)CC1 ZINC000102437882 132234953 /nfs/dbraw/zinc/23/49/53/132234953.db2.gz QARVMKHITSNGDR-HXUWFJFHSA-N 0 3 353.397 2.523 1 0 FFAFHN CC[C@H]1Oc2ccccc2N(CC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1=O ZINC000004078125 132386346 /nfs/dbraw/zinc/38/63/46/132386346.db2.gz MTUQHNGGEFFKKD-XYJFISCASA-N 0 3 373.497 2.570 1 0 FFAFHN CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccn2)CC1 ZINC000000603904 219305405 /nfs/dbraw/zinc/30/54/05/219305405.db2.gz DOERHXQKDUFFRK-UHFFFAOYSA-N 0 3 370.497 2.807 1 0 FFAFHN c1cc(-c2nnc(CN3CCN(C4CCCCC4)CC3)o2)cc2c1OCO2 ZINC000020177834 220318604 /nfs/dbraw/zinc/31/86/04/220318604.db2.gz BHNPTPXHTGHFCD-UHFFFAOYSA-N 0 3 370.453 2.916 1 0 FFAFHN CC1=C(C(=O)N2CCCC2)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000057994818 221096524 /nfs/dbraw/zinc/09/65/24/221096524.db2.gz VBLUNVKWAZNGKL-UHFFFAOYSA-N 0 3 354.450 2.517 1 0 FFAFHN O=C(c1ccccc1)N1CCC(N2CCc3cc(O)ccc3[C@@H](O)C2)CC1 ZINC000064559386 221147169 /nfs/dbraw/zinc/14/71/69/221147169.db2.gz XZQGWQIWLXSEBC-NRFANRHFSA-N 0 3 366.461 2.589 1 0 FFAFHN CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C)cc3)C2)CC1 ZINC000068245536 221314527 /nfs/dbraw/zinc/31/45/27/221314527.db2.gz JKJPQSZAVSDSPV-GOSISDBHSA-N 0 3 373.497 2.810 1 0 FFAFHN CCOc1ccc2c(c1)[nH]c(C)cc2=NNS(=O)(=O)c1ccccc1 ZINC000071405062 221346186 /nfs/dbraw/zinc/34/61/86/221346186.db2.gz IRDSKKMPRKTECO-UHFFFAOYSA-N 0 3 357.435 2.669 1 0 FFAFHN CCOc1ccc2c(c1)nc(C)cc2NNS(=O)(=O)c1ccccc1 ZINC000071405062 221346188 /nfs/dbraw/zinc/34/61/88/221346188.db2.gz IRDSKKMPRKTECO-UHFFFAOYSA-N 0 3 357.435 2.669 1 0 FFAFHN CCc1nc2ccccc2n1CCCN1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000019851242 522501481 /nfs/dbraw/zinc/50/14/81/522501481.db2.gz GZYOWZPLPMBCST-SFTDATJTSA-N 0 3 370.541 2.910 1 0 FFAFHN COc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1 ZINC000013531267 220072760 /nfs/dbraw/zinc/07/27/60/220072760.db2.gz SIGPAXROBLPQJS-QGZVFWFLSA-N 0 3 366.527 2.970 1 0 FFAFHN C[C@@H](O)[C@H]1CNCCN1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022929254 220404447 /nfs/dbraw/zinc/40/44/47/220404447.db2.gz HEEAFEFXEKSWBC-QMTHXVAHSA-N 0 3 370.337 2.921 3 0 FFAFHN O=C1[C@H]2[C@H](C(=O)N1CCN1CCCC1)C1c3ccccc3C2c2ccccc21 ZINC000098084142 222227862 /nfs/dbraw/zinc/22/78/62/222227862.db2.gz PJEVYNWMKMULAE-LIKPIUCQSA-N 0 3 372.468 2.974 1 0 FFAFHN O=C1[C@@H]2[C@@H](C(=O)N1CCN1CCCC1)C1c3ccccc3C2c2ccccc21 ZINC000098084144 222228005 /nfs/dbraw/zinc/22/80/05/222228005.db2.gz PJEVYNWMKMULAE-UJKMTWAASA-N 0 3 372.468 2.974 1 0 FFAFHN N[C@H]1C[C@@H](N2Cc3c[nH]nc3C2)CO[C@@H]1c1cc(F)c(Cl)cc1F ZINC000096284064 222110937 /nfs/dbraw/zinc/11/09/37/222110937.db2.gz XIVCZWBCPGNTEN-WKFLNTIRSA-N 0 3 354.788 2.514 1 0 FFAFHN CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 ZINC000064539312 221147566 /nfs/dbraw/zinc/14/75/66/221147566.db2.gz NFXFNBIPWUYEIM-WXFUMESZSA-N 0 3 372.468 2.968 1 0 FFAFHN Cc1csc2ncnc(N3CCC(Cn4cc(C(C)(C)N)nn4)CC3)c12 ZINC000048501651 136123683 /nfs/dbraw/zinc/12/36/83/136123683.db2.gz HREJRIXIVPZNFL-UHFFFAOYSA-N 0 3 371.514 2.702 1 0 FFAFHN C[C@@H](c1ccccc1)n1c2ccccc2n2c1nc(N1CCNCC1)cc2=O ZINC000095587568 136151099 /nfs/dbraw/zinc/15/10/99/136151099.db2.gz XOILFTDAJVOQGJ-INIZCTEOSA-N 0 3 373.460 2.668 1 0 FFAFHN C[C@]1(c2nc3c(cccc3C(N)=O)[nH]2)CCN(Cc2ccccc2F)C1 ZINC000040424264 581092471 /nfs/dbraw/zinc/09/24/71/581092471.db2.gz BCCUYXQTHHGUHR-FQEVSTJZSA-N 0 3 352.413 2.965 1 0 FFAFHN COc1cc2c(cc1O)[C@@H]1O[C@@H](OC)c3c4c(ccc3[C@H]1NCC2)OCO4 ZINC000033833246 291061913 /nfs/dbraw/zinc/06/19/13/291061913.db2.gz YLUOVOKBMSLYGX-WSTZPKSXSA-N 0 3 371.389 2.733 1 0 biogenic,in-vitro FFAFHN CC(C)(C)c1cc(C=C2OC(NC(=N)N)=NC2=O)cc(C(C)(C)C)c1O ZINC000013734193 220090854 /nfs/dbraw/zinc/09/08/54/220090854.db2.gz FDKQQLIDPCZUFH-LCYFTJDESA-N 0 3 358.442 2.724 1 0 FFAFHN CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O ZINC000049055668 221017827 /nfs/dbraw/zinc/01/78/27/221017827.db2.gz KSTJTXFKYKEBRB-UHFFFAOYSA-N 0 3 360.417 2.878 1 0 FFAFHN O=c1[nH]c(CCCN2CCN(c3ccc(F)cc3)CC2)nc2ccccc21 ZINC000096258420 132224477 /nfs/dbraw/zinc/22/44/77/132224477.db2.gz VKRLDSMSRYWBJD-UHFFFAOYSA-N 0 3 366.440 2.817 1 0 FFAFHN O=C(NCCN1CCCCC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3 ZINC000103176210 222323233 /nfs/dbraw/zinc/32/32/33/222323233.db2.gz NUOLCLUVCHILQU-UHFFFAOYSA-N 0 3 371.506 2.533 1 0 FFAFHN CCOC(OCC)c1cn(C[C@@H]2Cc3c4ccccc4[nH]c3CN2)nn1 ZINC000064512091 221147542 /nfs/dbraw/zinc/14/75/42/221147542.db2.gz NUIBQYHQYLVWKR-ZDUSSCGKSA-N 0 3 355.442 2.546 1 0 FFAFHN CC[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000019500693 220263829 /nfs/dbraw/zinc/26/38/29/220263829.db2.gz 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