smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=S)c(SCc2ccccc2)nn1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000006575175 530073691 /nfs/dbraw/zinc/07/36/91/530073691.db2.gz CTNAJLAPTMXBMN-OXIWPEFWSA-N 0 1 383.451 -0.169 40 0 GBABMN O=c1[nH]c(=S)c(SCc2ccccc2)nn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000006575177 530073941 /nfs/dbraw/zinc/07/39/41/530073941.db2.gz CTNAJLAPTMXBMN-ICUOPCATSA-N 0 1 383.451 -0.169 40 0 GBABMN CNCc1cn(C[C@H]2O[C@@H](CC(=O)NCc3ccc(F)cc3)[C@H](O)[C@@H]2O)nn1 ZINC000008624442 208696682 /nfs/dbraw/zinc/69/66/82/208696682.db2.gz JXSROAGROAIQMT-CIRFHOKZSA-N 0 1 393.419 -0.668 40 0 biogenic,in-vitro GBABMN CNCc1cn(C[C@H]2O[C@@H](CC(=O)N(C)Cc3ccccc3)[C@H](O)[C@@H]2O)nn1 ZINC000008643706 560210705 /nfs/dbraw/zinc/21/07/05/560210705.db2.gz UAXYWDNORYTWDA-OGWHTMIXSA-N 0 1 389.456 -0.465 40 0 biogenic,in-vitro GBABMN NC(=O)C1CC[NH+]([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000012529672 291097669 /nfs/dbraw/zinc/09/76/69/291097669.db2.gz RVOGUJWVVJVYDS-ZQOJQMTGSA-N 0 1 379.432 -0.034 40 0 biogenic,in-vitro GBABMN NS(=O)(=O)c1ccc(CNC(=S)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000016401526 210189742 /nfs/dbraw/zinc/18/97/42/210189742.db2.gz QWQUVNPCFXUMTB-LBPRGKRZSA-N 0 1 383.455 -0.283 40 0 GBABMN NS(=O)(=O)c1ccc(CNC(=S)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000016401528 221361940 /nfs/dbraw/zinc/36/19/40/221361940.db2.gz QWQUVNPCFXUMTB-GFCCVEGCSA-N 0 1 383.455 -0.283 40 0 GBABMN O=C(Cc1ccc2nc[nH]c2c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000019654689 571022860 /nfs/dbraw/zinc/02/28/60/571022860.db2.gz YJGGCGONNHKSBV-UHFFFAOYSA-N 0 1 393.469 -0.173 40 0 GBABMN NC(=O)C1(N2CCOCC2)CCN(Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000019657865 571024243 /nfs/dbraw/zinc/02/42/43/571024243.db2.gz PLMURGBJWRXIEN-UHFFFAOYSA-N 0 1 390.488 -0.535 40 0 GBABMN CC(C)=CCCC(=O)[C@@H](C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n21 ZINC000019879474 570227000 /nfs/dbraw/zinc/22/70/00/570227000.db2.gz WQTTZGFOMNIZQH-QMMMGPOBSA-N 0 1 396.371 -0.207 40 0 GBABMN CC(C)=CCCC(=O)[C@H](C1=Nc2nnc(N)n2C1=O)C1=NC(=O)c2nnc(N)n21 ZINC000019879477 207168669 /nfs/dbraw/zinc/16/86/69/207168669.db2.gz WQTTZGFOMNIZQH-MRVPVSSYSA-N 0 1 396.371 -0.207 40 0 GBABMN COc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(C(C)=O)CC2)[C@H]1O ZINC000020463674 560093472 /nfs/dbraw/zinc/09/34/72/560093472.db2.gz ZBDKAQNXPPFKJR-LTFPLMDUSA-N 0 1 391.468 -0.198 40 0 biogenic,in-vitro GBABMN COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCC2)cc1 ZINC000020465022 575367466 /nfs/dbraw/zinc/36/74/66/575367466.db2.gz GGIMGINOCBJOLQ-LTIDMASMSA-N 0 1 386.470 -0.442 40 0 biogenic,in-vitro GBABMN CN1[C@@H]2CCN(Cc3ncc[nH]3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCOCC1 ZINC000022923301 560092006 /nfs/dbraw/zinc/09/20/06/560092006.db2.gz XYJQPRITTJVREG-DAYGRLMNSA-N 0 1 390.488 -0.578 40 0 biogenic,in-vitro GBABMN CN(Cc1ccccc1)[C@H]1[C@@H](CNC(=O)N2CCOCC2)O[C@@H](CO)[C@H]1O ZINC000030879632 291094743 /nfs/dbraw/zinc/09/47/43/291094743.db2.gz JWLVZCQKLSRTFY-VSZNYVQBSA-N 0 1 379.457 -0.351 40 0 biogenic,in-vitro GBABMN C[N@@H+](Cc1ccccc1)[C@H]1[C@@H](CNC(=O)N2CCOCC2)O[C@@H](CO)[C@H]1O ZINC000030879632 291094740 /nfs/dbraw/zinc/09/47/40/291094740.db2.gz JWLVZCQKLSRTFY-VSZNYVQBSA-N 0 1 379.457 -0.351 40 0 biogenic,in-vitro GBABMN COC(=O)c1ccc(NC(=O)CSc2nc(O)c(NC(C)=O)c(=O)[nH]2)cc1 ZINC000104610976 570303002 /nfs/dbraw/zinc/30/30/02/570303002.db2.gz VZASASVNXGGKHU-UHFFFAOYSA-N 0 1 392.393 -0.338 40 0 GBABMN Cn1c2ncn(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c2c(=O)n(C)c1=O ZINC000135661956 570471138 /nfs/dbraw/zinc/47/11/38/570471138.db2.gz RGFYJVPOOIFGSG-QWHCGFSZSA-N 0 1 382.424 -0.328 40 0 GBABMN O=C(COc1ncccn1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224321273 136206641 /nfs/dbraw/zinc/20/66/41/136206641.db2.gz WVRZCPZHSFEBBS-UHFFFAOYSA-N 0 1 385.428 -0.169 40 0 GBABMN O=C(COc1ncccn1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224330513 136206805 /nfs/dbraw/zinc/20/68/05/136206805.db2.gz QZJNFMPJUVZVGK-UHFFFAOYSA-N 0 1 385.428 -0.169 40 0 GBABMN CCCC(=O)NCC(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224334690 535342489 /nfs/dbraw/zinc/34/24/89/535342489.db2.gz BWDDBXPIXIHLRY-UHFFFAOYSA-N 0 1 376.461 -0.122 40 0 GBABMN CN1CCN(CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000225089070 206035043 /nfs/dbraw/zinc/03/50/43/206035043.db2.gz DANPJEONJFIXKN-UHFFFAOYSA-N 0 1 380.470 -0.134 40 0 GBABMN Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4cnc[nH]4)C3)C2=O)o1 ZINC000225398764 206046023 /nfs/dbraw/zinc/04/60/23/206046023.db2.gz DHJJPONWHWUBOE-ZBFHGGJFSA-N 0 1 385.424 -0.130 40 0 biogenic,in-vitro GBABMN O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccncc3F)[C@@H](O)[C@H]2O1)N1CCOCC1 ZINC000225514025 560042224 /nfs/dbraw/zinc/04/22/24/560042224.db2.gz XFJNESSFWPHMOF-ZLJHSHKTSA-N 0 1 395.431 -0.155 40 0 biogenic,in-vitro GBABMN COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3cccnc3OC)[C@@H](O)[C@H]2O1 ZINC000225515139 206052470 /nfs/dbraw/zinc/05/24/70/206052470.db2.gz YQBPWBRYSXLOMM-GRLWTPEZSA-N 0 1 395.456 -0.382 40 0 biogenic,in-vitro GBABMN COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccncc3F)[C@@H](O)[C@H]2O1 ZINC000225515288 560042209 /nfs/dbraw/zinc/04/22/09/560042209.db2.gz WIYOYXXQUJBHNW-UUWMRLDISA-N 0 1 383.420 -0.251 40 0 biogenic,in-vitro GBABMN COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ncccc3C)[C@@H](O)[C@H]2O1 ZINC000225515338 560042239 /nfs/dbraw/zinc/04/22/39/560042239.db2.gz CCMLNPGACWPGOW-ZLJHSHKTSA-N 0 1 379.457 -0.082 40 0 biogenic,in-vitro GBABMN COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000257199887 206158082 /nfs/dbraw/zinc/15/80/82/206158082.db2.gz ABDPSXLUSUCPIP-CYBMUJFWSA-N 0 1 380.323 -0.605 40 0 GBABMN COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000257199888 212001240 /nfs/dbraw/zinc/00/12/40/212001240.db2.gz ABDPSXLUSUCPIP-ZDUSSCGKSA-N 0 1 380.323 -0.605 40 0 GBABMN CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1ccnn1C ZINC000257202486 570760307 /nfs/dbraw/zinc/76/03/07/570760307.db2.gz AMCCLBRMPVJJIW-SIXLDLHFSA-N 0 1 375.429 -0.582 40 0 GBABMN Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[N@@H+](C)CCO ZINC000257202486 570760306 /nfs/dbraw/zinc/76/03/06/570760306.db2.gz AMCCLBRMPVJJIW-SIXLDLHFSA-N 0 1 375.429 -0.582 40 0 GBABMN CN(C)c1cc(C[C@@H]2CN(C)CCN(C(=O)CNS(C)(=O)=O)C2)ncn1 ZINC000257203666 206157593 /nfs/dbraw/zinc/15/75/93/206157593.db2.gz ARBBYYOCINEWTJ-CYBMUJFWSA-N 0 1 384.506 -0.976 40 0 GBABMN CN(C)c1cc(C[C@H]2CN(C)CCN(C(=O)CNS(C)(=O)=O)C2)ncn1 ZINC000257203667 212004014 /nfs/dbraw/zinc/00/40/14/212004014.db2.gz ARBBYYOCINEWTJ-ZDUSSCGKSA-N 0 1 384.506 -0.976 40 0 GBABMN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1 ZINC000257212121 206160176 /nfs/dbraw/zinc/16/01/76/206160176.db2.gz CCANPQZPKMPBSG-IBGZPJMESA-N 0 1 379.457 -0.062 40 0 GBABMN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@](O)(CN2CCOCC2)CC1 ZINC000257212122 570761576 /nfs/dbraw/zinc/76/15/76/570761576.db2.gz CCANPQZPKMPBSG-LJQANCHMSA-N 0 1 379.457 -0.062 40 0 GBABMN COCC(=O)NC[C@]1(O)CCN(Cc2ccc(OCCCO)cc2)C[C@H]1O ZINC000257212909 570486982 /nfs/dbraw/zinc/48/69/82/570486982.db2.gz CFKGEBYWESZSIA-IEBWSBKVSA-N 0 1 382.457 -0.492 40 0 GBABMN O=C(NC[C@@]1(O)COCCN(C(=O)c2[nH]nc3ccccc32)C1)c1cnccn1 ZINC000257239196 570767450 /nfs/dbraw/zinc/76/74/50/570767450.db2.gz HOIFFFLCNJREPO-IBGZPJMESA-N 0 1 396.407 -0.014 40 0 GBABMN O=C(NC[C@]1(O)COCCN(C(=O)c2[nH]nc3ccccc32)C1)c1cnccn1 ZINC000257239197 570767437 /nfs/dbraw/zinc/76/74/37/570767437.db2.gz HOIFFFLCNJREPO-LJQANCHMSA-N 0 1 396.407 -0.014 40 0 GBABMN O=C(NC[C@@]1(O)CCN(Cc2c[nH]c(=O)[nH]c2=O)C[C@@H]1O)c1cscn1 ZINC000257246401 209059010 /nfs/dbraw/zinc/05/90/10/209059010.db2.gz ITZDSNXAVZTUQQ-NHYWBVRUSA-N 0 1 381.414 -0.928 40 0 GBABMN O=C(NC[C@@]1(O)COCCN(C(=O)c2ccc3[nH]nnc3c2)C1)c1ccccn1 ZINC000257261391 206168277 /nfs/dbraw/zinc/16/82/77/206168277.db2.gz LHCUBJUSHHQVNX-IBGZPJMESA-N 0 1 396.407 -0.014 40 0 GBABMN O=C(NC[C@]1(O)COCCN(C(=O)c2ccc3[nH]nnc3c2)C1)c1ccccn1 ZINC000257261392 206167889 /nfs/dbraw/zinc/16/78/89/206167889.db2.gz LHCUBJUSHHQVNX-LJQANCHMSA-N 0 1 396.407 -0.014 40 0 GBABMN Cn1cc(C(=O)N[C@@H]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)[C@@H]2O)cn1 ZINC000257264351 212012699 /nfs/dbraw/zinc/01/26/99/212012699.db2.gz LTZXYSXNYTXYDR-FCGDIQPGSA-N 0 1 385.468 -0.165 40 0 GBABMN CC1(C)NC(=O)N(CC(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)C1=O ZINC000257281142 209066545 /nfs/dbraw/zinc/06/65/45/209066545.db2.gz ONVDBJHFFCRJDI-GOSISDBHSA-N 0 1 382.461 -0.607 40 0 GBABMN CC1(C)NC(=O)N(CC(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)C1=O ZINC000257281143 570774860 /nfs/dbraw/zinc/77/48/60/570774860.db2.gz ONVDBJHFFCRJDI-SFHVURJKSA-N 0 1 382.461 -0.607 40 0 GBABMN COCC(=O)NC[C@]1(O)CN(Cc2cccc(CN3CCOCC3)c2)C[C@H]1O ZINC000257282514 570488675 /nfs/dbraw/zinc/48/86/75/570488675.db2.gz OUABRKIMOLKDKT-QUCCMNQESA-N 0 1 393.484 -0.811 40 0 GBABMN CC(C)c1cc(C(=O)N2CCOC[C@@](O)(CNC(=O)c3cnccn3)C2)n[nH]1 ZINC000257287104 570776120 /nfs/dbraw/zinc/77/61/20/570776120.db2.gz POOASZIWCIFAJB-GOSISDBHSA-N 0 1 388.428 -0.043 40 0 GBABMN CC(C)c1cc(C(=O)N2CCOC[C@](O)(CNC(=O)c3cnccn3)C2)n[nH]1 ZINC000257287105 206172628 /nfs/dbraw/zinc/17/26/28/206172628.db2.gz POOASZIWCIFAJB-SFHVURJKSA-N 0 1 388.428 -0.043 40 0 GBABMN CC(=O)N1CCC2(CC1)c1nnc(C(=O)N3CCCN(C)CC3)n1CCN2C ZINC000306133776 570941001 /nfs/dbraw/zinc/94/10/01/570941001.db2.gz MVTMVTPJCIAQBS-UHFFFAOYSA-N 0 1 389.504 -0.161 40 0 GBABMN CN(C)C(=O)CN1CCC2(CCc3nnc(C(=O)N4CCOCC4)n32)CC1 ZINC000306143893 206207293 /nfs/dbraw/zinc/20/72/93/206207293.db2.gz YPZFKZBLTWQPGA-UHFFFAOYSA-N 0 1 376.461 -0.424 40 0 GBABMN COc1ccc(S(=O)(=O)N[C@H]2CO[C@@H](CN3CCN(C)CC3)[C@@H]2O)cc1 ZINC000514288386 560035213 /nfs/dbraw/zinc/03/52/13/560035213.db2.gz BYENKJLPGYBMIV-YESZJQIVSA-N 0 1 385.486 -0.651 40 0 biogenic,in-vitro GBABMN CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1 ZINC000514289244 560033131 /nfs/dbraw/zinc/03/31/31/560033131.db2.gz KDNQERDLZQRUJZ-DLBZAZTESA-N 0 1 380.489 -0.977 40 0 biogenic,in-vitro GBABMN CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1 ZINC000514289246 560033112 /nfs/dbraw/zinc/03/31/12/560033112.db2.gz KDNQERDLZQRUJZ-IAGOWNOFSA-N 0 1 380.489 -0.977 40 0 biogenic,in-vitro GBABMN CN1CCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3ccc(F)cc3F)[C@H]2O)CC1 ZINC000514289617 560032231 /nfs/dbraw/zinc/03/22/31/560032231.db2.gz WTSSIGNBPIFXPC-OFQRWUPVSA-N 0 1 391.440 -0.381 40 0 biogenic,in-vitro GBABMN CN1CCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H]2O)CC1 ZINC000514289691 530107979 /nfs/dbraw/zinc/10/79/79/530107979.db2.gz YHKHJSITZKNXML-HRCADAONSA-N 0 1 389.905 -0.006 40 0 biogenic,in-vitro GBABMN O=C([O-])c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(C(=O)CCO)C3)C2)c1 ZINC000514289777 560031888 /nfs/dbraw/zinc/03/18/88/560031888.db2.gz OLTASLTYSXKJGH-DLBZAZTESA-N 0 1 389.452 -0.401 40 0 biogenic,in-vitro GBABMN O=C([O-])c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(C(=O)CCO)C3)C2)c1 ZINC000514289777 560031887 /nfs/dbraw/zinc/03/18/87/560031887.db2.gz OLTASLTYSXKJGH-DLBZAZTESA-N 0 1 389.452 -0.401 40 0 biogenic,in-vitro GBABMN O=C([O-])c1cccc(C[N@H+]2C[C@@H]3C[C@@H](O)CN3C3(CN(C(=O)CCO)C3)C2)c1 ZINC000514289777 560031884 /nfs/dbraw/zinc/03/18/84/560031884.db2.gz OLTASLTYSXKJGH-DLBZAZTESA-N 0 1 389.452 -0.401 40 0 biogenic,in-vitro GBABMN O=C([O-])c1cccc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C3(CN(C(=O)CCO)C3)C2)c1 ZINC000514289778 560031945 /nfs/dbraw/zinc/03/19/45/560031945.db2.gz OLTASLTYSXKJGH-IAGOWNOFSA-N 0 1 389.452 -0.401 40 0 biogenic,in-vitro GBABMN O=C([O-])c1cccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C3(CN(C(=O)CCO)C3)C2)c1 ZINC000514289778 560031943 /nfs/dbraw/zinc/03/19/43/560031943.db2.gz OLTASLTYSXKJGH-IAGOWNOFSA-N 0 1 389.452 -0.401 40 0 biogenic,in-vitro GBABMN O=C([O-])c1cccc(C[N@H+]2C[C@H]3C[C@@H](O)CN3C3(CN(C(=O)CCO)C3)C2)c1 ZINC000514289778 560031940 /nfs/dbraw/zinc/03/19/40/560031940.db2.gz OLTASLTYSXKJGH-IAGOWNOFSA-N 0 1 389.452 -0.401 40 0 biogenic,in-vitro GBABMN COc1ccc(OC)c(S(=O)(=O)NCCN[C@@H]2CCS(=O)(=O)C2)c1 ZINC000575420984 530300667 /nfs/dbraw/zinc/30/06/67/530300667.db2.gz HBAXZXBHGRBVPQ-LLVKDONJSA-N 0 1 378.472 -0.241 40 0 GBABMN COc1ccc(OC)c(S(=O)(=O)NCCN[C@H]2CCS(=O)(=O)C2)c1 ZINC000575420988 530300722 /nfs/dbraw/zinc/30/07/22/530300722.db2.gz HBAXZXBHGRBVPQ-NSHDSACASA-N 0 1 378.472 -0.241 40 0 GBABMN CC(=O)NCc1ccc(S(=O)(=O)NCCN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575422035 530300758 /nfs/dbraw/zinc/30/07/58/530300758.db2.gz LVMZKWIEXDTWGQ-AWEZNQCLSA-N 0 1 389.499 -0.622 40 0 GBABMN CC(=O)NCc1ccc(S(=O)(=O)NCCN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575422042 530300756 /nfs/dbraw/zinc/30/07/56/530300756.db2.gz LVMZKWIEXDTWGQ-CQSZACIVSA-N 0 1 389.499 -0.622 40 0 GBABMN COc1ccc(S(=O)(=O)NCCN[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000575425728 530301136 /nfs/dbraw/zinc/30/11/36/530301136.db2.gz HSLZRCZKECUVIM-LLVKDONJSA-N 0 1 378.472 -0.241 40 0 GBABMN COc1ccc(S(=O)(=O)NCCN[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000575425729 530301148 /nfs/dbraw/zinc/30/11/48/530301148.db2.gz HSLZRCZKECUVIM-NSHDSACASA-N 0 1 378.472 -0.241 40 0 GBABMN Cc1cc(CN2C[C@@H](C(=O)NC3CS(=O)(=O)C3)C3(C2)CCOCC3)n[nH]1 ZINC000585101896 570927447 /nfs/dbraw/zinc/92/74/47/570927447.db2.gz IOEZIKLCONIANF-HNNXBMFYSA-N 0 1 382.486 -0.140 40 0 GBABMN Cc1cc(CN2C[C@H](C(=O)NC3CS(=O)(=O)C3)C3(C2)CCOCC3)n[nH]1 ZINC000585101898 570927325 /nfs/dbraw/zinc/92/73/25/570927325.db2.gz IOEZIKLCONIANF-OAHLLOKOSA-N 0 1 382.486 -0.140 40 0 GBABMN Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(C(=O)c2ccn[nH]2)CCC3)cn1 ZINC000585111043 570944471 /nfs/dbraw/zinc/94/44/71/570944471.db2.gz WFFGJULGTFRKQS-UHFFFAOYSA-N 0 1 396.411 -0.324 40 0 GBABMN CC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(OCCOCCO)cc2)C[C@H]1O ZINC000585269821 570238758 /nfs/dbraw/zinc/23/87/58/570238758.db2.gz LLVILWJOZLHJEA-BHIYHBOVSA-N 0 1 382.457 -0.494 40 0 GBABMN CC(=O)NC[C@]1(O)CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@H]1O ZINC000585270819 570239420 /nfs/dbraw/zinc/23/94/20/570239420.db2.gz BKLXXMIRDJJGIM-WOJBJXKFSA-N 0 1 377.485 -0.047 40 0 GBABMN CCOC(=O)N1CCC(O)(CN2C[C@@H]3OCC(=O)N(CCOC)[C@H]3C2)CC1 ZINC000585283265 570251246 /nfs/dbraw/zinc/25/12/46/570251246.db2.gz MQYQQSPLDYGDOR-GJZGRUSLSA-N 0 1 385.461 -0.472 40 0 GBABMN COCCN1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC000585283873 570251640 /nfs/dbraw/zinc/25/16/40/570251640.db2.gz ILUBWGHAIYBNTP-FPOVZHCZSA-N 0 1 391.512 -0.183 40 0 GBABMN CN(C)CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1ccc(N)nc1=O)CO2 ZINC000585285637 570255162 /nfs/dbraw/zinc/25/51/62/570255162.db2.gz LLSXKBKKWJBUIT-CXAGYDPISA-N 0 1 379.461 -0.297 40 0 GBABMN CC(C)N1CCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 ZINC000585289769 570257751 /nfs/dbraw/zinc/25/77/51/570257751.db2.gz JUAFQAVJQOKAQO-MSOLQXFVSA-N 0 1 383.514 -0.191 40 0 GBABMN CC(C)(C)NC(=O)CNC[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585290558 570258948 /nfs/dbraw/zinc/25/89/48/570258948.db2.gz CNDGZQBZTJVGJJ-PBHICJAKSA-N 0 1 385.486 -0.713 40 0 GBABMN Cc1cc(CN(C)C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)n[nH]1 ZINC000585291308 570259920 /nfs/dbraw/zinc/25/99/20/570259920.db2.gz NGBBGHQKVLWJRC-SJORKVTESA-N 0 1 380.470 -0.054 40 0 GBABMN