smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC ZINC000002263241 554123204 /nfs/dbraw/zinc/12/32/04/554123204.db2.gz OTCGNNPUIFGYFG-CXUHLZMHSA-N -1 3 475.504 3.167 40 10 JGCBHM COc1ccccc1C(=O)[N-]N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S ZINC000011565582 555787849 /nfs/dbraw/zinc/78/78/49/555787849.db2.gz XAJVBBOFBBUCEH-GZTJUZNOSA-N -1 3 460.533 3.267 40 10 JGCBHM COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1[O-] ZINC000409129439 570139456 /nfs/dbraw/zinc/13/94/56/570139456.db2.gz GQKMAKQAZTZBLT-ZROIWOOFSA-N -1 3 480.283 3.406 40 10 JGCBHM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000408531805 570188226 /nfs/dbraw/zinc/18/82/26/570188226.db2.gz LSILIEQPWYRPBG-CYVLTUHYSA-N -1 3 474.565 3.049 40 10 JGCBHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1 ZINC000408533887 570189203 /nfs/dbraw/zinc/18/92/03/570189203.db2.gz PLRMPSDVAFOYBY-LGMDPLHJSA-N -1 3 465.945 3.392 40 10 JGCBHM Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000408528724 570186852 /nfs/dbraw/zinc/18/68/52/570186852.db2.gz ICLNIPVYDLSDRH-WJDWOHSUSA-N -1 3 487.301 3.200 40 10 JGCBHM O=C([N-]N1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S)c1ccccc1Br ZINC000002452177 554218908 /nfs/dbraw/zinc/21/89/08/554218908.db2.gz ITNOGPGJFRPCEM-BUHFOSPRSA-N -1 3 460.334 3.318 40 10 JGCBHM COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCCc1c[nH]c2ccccc12 ZINC000020287315 555755720 /nfs/dbraw/zinc/75/57/20/555755720.db2.gz NENLDZNCEMWQQA-HAHDFKILSA-N -1 3 461.478 3.448 40 10 JGCBHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000224305892 569939909 /nfs/dbraw/zinc/93/99/09/569939909.db2.gz AVCXSXOXVYVUGM-UHFFFAOYSA-N -1 3 459.597 3.424 40 10 JGCBHM COc1cc(C(=O)[N-]N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc(OC)c1OC ZINC000008869984 554764306 /nfs/dbraw/zinc/76/43/06/554764306.db2.gz XPMRMMRONJYTED-GZTJUZNOSA-N -1 3 484.559 3.145 40 10 JGCBHM C[C@H]1CCCN(c2ccc(C[N-]S(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)C1 ZINC000223041658 569897599 /nfs/dbraw/zinc/89/75/99/569897599.db2.gz BTBRTAHGVCCABS-AWEZNQCLSA-N -1 3 451.618 3.238 40 10 JGCBHM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000408530527 570187642 /nfs/dbraw/zinc/18/76/42/570187642.db2.gz JBRZMKBSQKWPJA-JXAWBTAJSA-N -1 3 480.956 3.086 40 10 JGCBHM CC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(OC)cc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000008869799 554763835 /nfs/dbraw/zinc/76/38/35/554763835.db2.gz CPIOMSQHTINNCB-OYSWMMLKSA-N -1 3 460.486 3.238 40 10 JGCBHM COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000034864237 569667919 /nfs/dbraw/zinc/66/79/19/569667919.db2.gz UJVHIILAIQFNPL-ZDLGFXPLSA-N -1 3 459.911 3.473 40 10 JGCBHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C ZINC000408537122 570190781 /nfs/dbraw/zinc/19/07/81/570190781.db2.gz ZGDPAIOLILRDHL-CYVLTUHYSA-N -1 3 493.999 3.001 40 10 JGCBHM CCOCCCNS(=O)(=O)c1ccc(Oc2cc([O-])c3c(c2N)C(=O)c2ccccc2C3=O)cc1 ZINC000031476963 556397425 /nfs/dbraw/zinc/39/74/25/556397425.db2.gz ALXCWDABTQQKAH-UHFFFAOYSA-N -1 3 496.541 3.247 40 10 JGCBHM CCCOc1c(I)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1OC ZINC000032110006 556420467 /nfs/dbraw/zinc/42/04/67/556420467.db2.gz IDJIDOUGDFGKGU-MDWZMJQESA-N -1 3 460.293 3.195 40 10 JGCBHM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCC(C)CC3)cc2)s1 ZINC000225219953 569983311 /nfs/dbraw/zinc/98/33/11/569983311.db2.gz GIFYLVLVXPFQPX-HNNXBMFYSA-N -1 3 451.618 3.408 40 10 JGCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)S1 ZINC000409092653 570125384 /nfs/dbraw/zinc/12/53/84/570125384.db2.gz VZDHHVLIZACEFF-MHWRWJLKSA-N -1 3 481.349 3.323 40 10 JGCBHM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)OCCN(CC)CC)cc3)C2=O)cc1 ZINC000016678389 521035948 /nfs/dbraw/zinc/03/59/48/521035948.db2.gz UKYJQANSLWBYQM-OQKWZONESA-N -1 3 494.548 3.163 40 10 JGCBHM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000408528428 570186790 /nfs/dbraw/zinc/18/67/90/570186790.db2.gz FZWNIHYVIIWPAM-HKWRFOASSA-N -1 3 474.565 3.049 40 10 JGCBHM COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)cc1 ZINC000016217045 524412343 /nfs/dbraw/zinc/41/23/43/524412343.db2.gz RINCWMVWIZHTPZ-UHFFFAOYSA-N -1 3 481.574 3.224 40 10 JGCBHM CC[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(OC)cc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000008869801 554763865 /nfs/dbraw/zinc/76/38/65/554763865.db2.gz CPIOMSQHTINNCB-YGWSKSRPSA-N -1 3 460.486 3.238 40 10 JGCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2cc(Br)c(OC(C)=O)c(Br)c2)S1 ZINC000408755620 570035500 /nfs/dbraw/zinc/03/55/00/570035500.db2.gz RBPYGKZRGLBWTO-WZUFQYTHSA-N -1 3 462.119 3.243 40 10 JGCBHM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1 ZINC000408531692 570188074 /nfs/dbraw/zinc/18/80/74/570188074.db2.gz LEMZWYRDEGBXIN-RGEXLXHISA-N -1 3 459.554 3.356 40 10 JGCBHM COc1cc(-n2[n-]c(C)c(C=Nc3cc4[nH]c(=O)[nH]c4cc3N3CCOCC3)c2=O)ccc1Cl ZINC000408534321 570189339 /nfs/dbraw/zinc/18/93/39/570189339.db2.gz QHQGDCOINCDTGD-QINSGFPZSA-N -1 3 482.928 3.486 40 10 JGCBHM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC ZINC000001865702 553998893 /nfs/dbraw/zinc/99/88/93/553998893.db2.gz JHYDBYHOPJKCAC-MHWRWJLKSA-N -1 3 475.504 3.167 40 10 JGCBHM O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)[N-]C1=NCCS1 ZINC000008820027 554706494 /nfs/dbraw/zinc/70/64/94/554706494.db2.gz ZYSKJSQWSUBWLW-WJDWOHSUSA-N -1 3 463.606 3.396 40 10 JGCBHM COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCCc1c[nH]c2ccc(OC)cc12 ZINC000020287407 555755753 /nfs/dbraw/zinc/75/57/53/555755753.db2.gz QFSCTGOZGBEFQT-IWIPYMOSSA-N -1 3 491.504 3.457 40 10 JGCBHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000223237928 569904485 /nfs/dbraw/zinc/90/44/85/569904485.db2.gz YZHMILYXSVSYBF-UHFFFAOYSA-N -1 3 459.597 3.424 40 10 JGCBHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000224893306 569962170 /nfs/dbraw/zinc/96/21/70/569962170.db2.gz OZHFAUSZCUFVMN-UHFFFAOYSA-N -1 3 459.597 3.424 40 10 JGCBHM COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1[O-] ZINC000409089584 570124329 /nfs/dbraw/zinc/12/43/29/570124329.db2.gz JDNOVTYFSYSBQH-QVASGMJFSA-N -1 3 477.345 3.386 40 10 JGCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)c(Cl)c1 ZINC000409159932 570151673 /nfs/dbraw/zinc/15/16/73/570151673.db2.gz CBCCRVUIPDKLSI-LICLKQGHSA-N -1 3 472.979 3.385 40 10 JGCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)SC2=S)c(Cl)c1 ZINC000409211270 570169938 /nfs/dbraw/zinc/16/99/38/570169938.db2.gz LJKTWUREXGJYHH-SXGWCWSVSA-N -1 3 461.952 3.059 40 10 JGCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408528854 570186987 /nfs/dbraw/zinc/18/69/87/570186987.db2.gz FNCUIYUUIOJNAJ-IUXPMGMMSA-N -1 3 458.408 3.410 40 10 JGCBHM Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000408535943 570190166 /nfs/dbraw/zinc/19/01/66/570190166.db2.gz UUHFTSIUKJDFGI-JXAWBTAJSA-N -1 3 494.983 3.394 40 10 JGCBHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000408536939 570190674 /nfs/dbraw/zinc/19/06/74/570190674.db2.gz YJWDBTLCMFLRPS-JXAWBTAJSA-N -1 3 480.956 3.086 40 10 JGCBHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000006226319 520480918 /nfs/dbraw/zinc/48/09/18/520480918.db2.gz VJGBAKIZFNXENT-IMEWXKHHSA-N -1 3 498.004 3.223 40 10 JGCBHM CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2n[n-]c(=S)s2)SC1=S ZINC000256055592 570106947 /nfs/dbraw/zinc/10/69/47/570106947.db2.gz MJNJZHJOWHIJCF-ZGSOTFDTSA-N -1 3 452.608 3.115 40 10 JGCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409090744 570124713 /nfs/dbraw/zinc/12/47/13/570124713.db2.gz PXNOQTODWBBCEC-MHWRWJLKSA-N -1 3 466.924 3.223 40 10 JGCBHM COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)CC2)cc1 ZINC000408526693 570186093 /nfs/dbraw/zinc/18/60/93/570186093.db2.gz BUJSQVNVOPEUGN-UHFFFAOYSA-N -1 3 499.564 3.363 40 10 JGCBHM O=C([O-])[C@]1(Cc2c[nH]c3ccccc23)[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000009187268 554959626 /nfs/dbraw/zinc/95/96/26/554959626.db2.gz WQBAYKGKHMVHQK-GFXAMXPBSA-N -1 3 481.508 3.390 40 10 JGCBHM O=C(NN1C(=O)/C(=C/[C@@H]2C(=O)Nc3ccc(Br)cc32)SC1=S)c1cccc([O-])c1 ZINC000101001321 569778803 /nfs/dbraw/zinc/77/88/03/569778803.db2.gz PFSYGNIKHOXPAU-PBTLCFMXSA-N -1 3 490.360 3.280 40 10 JGCBHM COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NCCSCc1[nH]cnc1C ZINC000113469912 569861822 /nfs/dbraw/zinc/86/18/22/569861822.db2.gz UFKDCRUUMGETKE-ZHZULCJRSA-N -1 3 484.607 3.391 40 10 JGCBHM COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(I)c1[O-] ZINC000408946738 570083599 /nfs/dbraw/zinc/08/35/99/570083599.db2.gz ZESLSANXOFZAOS-RIYZIHGNSA-N -1 3 462.243 3.447 40 10 JGCBHM O=C([O-])[C@@]1(Cc2c[nH]c3ccccc23)[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000013571677 555510291 /nfs/dbraw/zinc/51/02/91/555510291.db2.gz WQBAYKGKHMVHQK-KVOKEACQSA-N -1 3 481.508 3.390 40 10 JGCBHM COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NCCc1ccc(O)cc1 ZINC000112295928 569861193 /nfs/dbraw/zinc/86/11/93/569861193.db2.gz SKHQGPKRJGVYNK-STZFKDTASA-N -1 3 450.520 3.374 40 10 JGCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409092105 570125118 /nfs/dbraw/zinc/12/51/18/570125118.db2.gz UZOTVGMUPLLGDD-LICLKQGHSA-N -1 3 466.924 3.223 40 10 JGCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)c(Cl)c1 ZINC000409149421 570148630 /nfs/dbraw/zinc/14/86/30/570148630.db2.gz FYNTXIGFRDAQDF-CXUHLZMHSA-N -1 3 461.952 3.059 40 10 JGCBHM O=C([O-])[C@]1(Cc2c[nH]c3ccccc23)[NH2+][C@@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000009187264 554959609 /nfs/dbraw/zinc/95/96/09/554959609.db2.gz WQBAYKGKHMVHQK-YIIHUHPWSA-N -1 3 481.508 3.390 40 10 JGCBHM O=C([O-])[C@]1(Cc2c[nH]c3ccccc23)[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000102782526 569823897 /nfs/dbraw/zinc/82/38/97/569823897.db2.gz WQBAYKGKHMVHQK-GOIZPCHYSA-N -1 3 481.508 3.390 40 10 JGCBHM COCCN1C(=O)/C(=C/c2cc(Br)c([O-])c(OC)c2)C(=O)N(c2ccccc2)C1=O ZINC000409015723 570101095 /nfs/dbraw/zinc/10/10/95/570101095.db2.gz RZKVVOZJMLLNAT-GDNBJRDFSA-N -1 3 475.295 3.189 40 10 JGCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)S1 ZINC000409085149 570122966 /nfs/dbraw/zinc/12/29/66/570122966.db2.gz YTSIVWIKIMVVBQ-MHWRWJLKSA-N -1 3 481.349 3.323 40 10 JGCBHM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1 ZINC000408537047 570190589 /nfs/dbraw/zinc/19/05/89/570190589.db2.gz YXBJUVKGQZKPPY-VBKFSLOCSA-N -1 3 452.902 3.477 40 10 JGCBHM O=C([O-])[C@]1(Cc2c[nH]c3ccccc23)[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000013571679 555510256 /nfs/dbraw/zinc/51/02/56/555510256.db2.gz WQBAYKGKHMVHQK-FLSMRUOLSA-N -1 3 481.508 3.390 40 10 JGCBHM CC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(OC)cc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000019848986 555510826 /nfs/dbraw/zinc/51/08/26/555510826.db2.gz CPIOMSQHTINNCB-IMIIHFCZSA-N -1 3 460.486 3.238 40 10 JGCBHM CC[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(OC)cc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000019848987 555510833 /nfs/dbraw/zinc/51/08/33/555510833.db2.gz CPIOMSQHTINNCB-MSZDEVHKSA-N -1 3 460.486 3.238 40 10 JGCBHM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCC(C)CC3)cc2)s1 ZINC000225219993 569983262 /nfs/dbraw/zinc/98/32/62/569983262.db2.gz GIFYLVLVXPFQPX-OAHLLOKOSA-N -1 3 451.618 3.408 40 10 JGCBHM CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2n[n-]c(=S)s2)SC1=S ZINC000256055591 570106931 /nfs/dbraw/zinc/10/69/31/570106931.db2.gz MJNJZHJOWHIJCF-AWPPVZKDSA-N -1 3 452.608 3.115 40 10 JGCBHM COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1[O-] ZINC000409089581 570124335 /nfs/dbraw/zinc/12/43/35/570124335.db2.gz JDNOVTYFSYSBQH-BNDQCTAISA-N -1 3 477.345 3.386 40 10 JGCBHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C ZINC000408530501 570187611 /nfs/dbraw/zinc/18/76/11/570187611.db2.gz IZRPMZYAIHIXCD-VBKFSLOCSA-N -1 3 483.370 3.424 40 10 JGCBHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006226219 520481766 /nfs/dbraw/zinc/48/17/66/520481766.db2.gz VJGBAKIZFNXENT-WVWKGNOCSA-N -1 3 498.004 3.223 40 10 JGCBHM O=C(NN1C(=O)/C(=C/[C@H]2C(=O)Nc3ccc(Br)cc32)SC1=S)c1cccc([O-])c1 ZINC000008819054 554703509 /nfs/dbraw/zinc/70/35/09/554703509.db2.gz PFSYGNIKHOXPAU-ATDKOCKZSA-N -1 3 490.360 3.280 40 10 JGCBHM COc1cc(C(=O)[N-]N2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)cc(OC)c1OC ZINC000008869975 554764310 /nfs/dbraw/zinc/76/43/10/554764310.db2.gz BTLJMKPHQISZLX-MHWRWJLKSA-N -1 3 470.532 3.135 40 10 JGCBHM COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000033382376 569625400 /nfs/dbraw/zinc/62/54/00/569625400.db2.gz GUEWSKAVWCJEBA-YVLHZVERSA-N -1 3 459.911 3.473 40 10 JGCBHM C[C@@H]1CCCN(c2ccc(C[N-]S(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)C1 ZINC000223041590 569897596 /nfs/dbraw/zinc/89/75/96/569897596.db2.gz BTBRTAHGVCCABS-CQSZACIVSA-N -1 3 451.618 3.238 40 10 JGCBHM