smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@H+](C)Cc2cccc(-c3cccnc3)c2)o1 ZINC000160855189 328089202 /nfs/dbraw/zinc/08/92/02/328089202.db2.gz GIIHHSLKBOLJBK-UHFFFAOYSA-N 1 1 292.382 4.282 20 70 CIIDMO CC(C)[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1F ZINC000159370169 327175008 /nfs/dbraw/zinc/17/50/08/327175008.db2.gz VDFOTYZQJHVQDZ-YVEFUNNKSA-N 1 1 290.357 4.408 20 70 CIIDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3cccc(Cl)c3)cn21 ZINC000160318910 327605451 /nfs/dbraw/zinc/60/54/51/327605451.db2.gz XTLBFISBXFTSSG-ZDUSSCGKSA-N 1 1 299.805 4.147 20 70 CIIDMO c1sc(C2CC2)nc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000161345183 526629963 /nfs/dbraw/zinc/62/99/63/526629963.db2.gz VCUPIAHWLFMNPX-INIZCTEOSA-N 1 1 284.428 4.358 20 70 CIIDMO c1sc(C2CC2)nc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000161345183 526629970 /nfs/dbraw/zinc/62/99/70/526629970.db2.gz VCUPIAHWLFMNPX-INIZCTEOSA-N 1 1 284.428 4.358 20 70 CIIDMO Fc1ccc(F)c(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000160938659 330880270 /nfs/dbraw/zinc/88/02/70/330880270.db2.gz YONLPCUHCCAIEI-UHFFFAOYSA-N 1 1 285.696 4.047 20 70 CIIDMO COc1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000218019537 333125891 /nfs/dbraw/zinc/12/58/91/333125891.db2.gz NGUUNOBHCAVCPQ-KRWDZBQOSA-N 1 1 267.372 4.032 20 70 CIIDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000218020140 333125909 /nfs/dbraw/zinc/12/59/09/333125909.db2.gz SIXKLLZCPRKAMN-SFHVURJKSA-N 1 1 267.372 4.032 20 70 CIIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000160559641 521985461 /nfs/dbraw/zinc/98/54/61/521985461.db2.gz GJTGJWVLTKSPTO-KGLIPLIRSA-N 1 1 287.407 4.166 20 70 CIIDMO c1coc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000160712474 526565845 /nfs/dbraw/zinc/56/58/45/526565845.db2.gz MHFLSKATANKNOU-AWEZNQCLSA-N 1 1 284.384 4.226 20 70 CIIDMO c1coc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000160712474 526565849 /nfs/dbraw/zinc/56/58/49/526565849.db2.gz MHFLSKATANKNOU-AWEZNQCLSA-N 1 1 284.384 4.226 20 70 CIIDMO C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1ccco1 ZINC000160184421 261207577 /nfs/dbraw/zinc/20/75/77/261207577.db2.gz JZHNAUDHWNLSQP-ZWNOBZJWSA-N 1 1 277.751 4.107 20 70 CIIDMO CC1(C)C[C@H](Nc2cc[nH+]c3ccc(Cl)cc23)CCO1 ZINC000160617956 264253925 /nfs/dbraw/zinc/25/39/25/264253925.db2.gz UCRMNOSUPLQGTD-GFCCVEGCSA-N 1 1 290.794 4.258 20 70 CIIDMO C[N@H+](Cc1cnc(C2CC2)s1)Cc1cccc(Cl)c1 ZINC000161135629 328136103 /nfs/dbraw/zinc/13/61/03/328136103.db2.gz OFGYQIVGVFUDAT-UHFFFAOYSA-N 1 1 292.835 4.306 20 70 CIIDMO C[N@@H+](Cc1cnc(C2CC2)s1)Cc1cccc(Cl)c1 ZINC000161135629 328136104 /nfs/dbraw/zinc/13/61/04/328136104.db2.gz OFGYQIVGVFUDAT-UHFFFAOYSA-N 1 1 292.835 4.306 20 70 CIIDMO Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000160672973 526302294 /nfs/dbraw/zinc/30/22/94/526302294.db2.gz IXAIXRGBVRKLLC-CQSZACIVSA-N 1 1 279.742 4.239 20 70 CIIDMO CC(C)[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1F ZINC000159370024 327174984 /nfs/dbraw/zinc/17/49/84/327174984.db2.gz VDFOTYZQJHVQDZ-SJCJKPOMSA-N 1 1 290.357 4.408 20 70 CIIDMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000218019646 333125746 /nfs/dbraw/zinc/12/57/46/333125746.db2.gz ARGWEGWEVDNXCQ-GOSISDBHSA-N 1 1 297.398 4.041 20 70 CIIDMO c1sc(C2CC2)nc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000161345309 526630694 /nfs/dbraw/zinc/63/06/94/526630694.db2.gz VCUPIAHWLFMNPX-MRXNPFEDSA-N 1 1 284.428 4.358 20 70 CIIDMO c1sc(C2CC2)nc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000161345309 526630695 /nfs/dbraw/zinc/63/06/95/526630695.db2.gz VCUPIAHWLFMNPX-MRXNPFEDSA-N 1 1 284.428 4.358 20 70 CIIDMO Cc1nc(C[N@@H+](C)CC2CC2)oc1-c1ccc(Cl)cc1 ZINC000160911004 261230908 /nfs/dbraw/zinc/23/09/08/261230908.db2.gz SSKARPDUZPYSAB-UHFFFAOYSA-N 1 1 290.794 4.145 20 70 CIIDMO O=C(CCC[N@H+]1CCC[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000217654484 333122591 /nfs/dbraw/zinc/12/25/91/333122591.db2.gz GXJBMDZZHZBLTM-SJLPKXTDSA-N 1 1 285.431 4.304 20 70 CIIDMO COc1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000218019453 333125723 /nfs/dbraw/zinc/12/57/23/333125723.db2.gz NGUUNOBHCAVCPQ-QGZVFWFLSA-N 1 1 267.372 4.032 20 70 CIIDMO CC[C@H]([NH2+]C1CCN(CC)CC1)c1cccc(Cl)c1F ZINC000161507814 522563923 /nfs/dbraw/zinc/56/39/23/522563923.db2.gz MDIDQQWEZZRDFE-HNNXBMFYSA-N 1 1 298.833 4.004 20 70 CIIDMO CC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccc(F)cc1F ZINC000160665699 261222394 /nfs/dbraw/zinc/22/23/94/261222394.db2.gz RYOGQCOKOVKPRC-QMTHXVAHSA-N 1 1 265.303 4.360 20 70 CIIDMO CC1(C)C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)CCO1 ZINC000160618084 264253849 /nfs/dbraw/zinc/25/38/49/264253849.db2.gz UCRMNOSUPLQGTD-LBPRGKRZSA-N 1 1 290.794 4.258 20 70 CIIDMO CC1(C)C[C@H](Nc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000160652507 330872577 /nfs/dbraw/zinc/87/25/77/330872577.db2.gz WSCBMMLSACUDSL-GFCCVEGCSA-N 1 1 290.794 4.258 20 70 CIIDMO CC(C)c1cnc(C[NH2+][C@H]2CCCc3sccc32)s1 ZINC000160968685 519850973 /nfs/dbraw/zinc/85/09/73/519850973.db2.gz ZNALYOJRUXKQCC-LBPRGKRZSA-N 1 1 292.473 4.495 20 70 CIIDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cnc3ccccn23)s1 ZINC000160449551 526014006 /nfs/dbraw/zinc/01/40/06/526014006.db2.gz NMMFCRHKIRNPGT-OAHLLOKOSA-N 1 1 297.427 4.041 20 70 CIIDMO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cs1 ZINC000159565851 261188709 /nfs/dbraw/zinc/18/87/09/261188709.db2.gz OCMVYEYRHJISLB-QWHCGFSZSA-N 1 1 274.433 4.426 20 70 CIIDMO CC[N@@H+](Cc1ccccn1)[C@@H]1CCCc2ccc(F)cc21 ZINC000161072416 328125488 /nfs/dbraw/zinc/12/54/88/328125488.db2.gz JYUKHNKEWIYXER-GOSISDBHSA-N 1 1 284.378 4.120 20 70 CIIDMO CC(C)[C@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1F ZINC000159370260 327174917 /nfs/dbraw/zinc/17/49/17/327174917.db2.gz VDFOTYZQJHVQDZ-PXAZEXFGSA-N 1 1 290.357 4.408 20 70 CIIDMO CCCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000160480968 520433109 /nfs/dbraw/zinc/43/31/09/520433109.db2.gz FQKUHKRWGGJOKO-AWEZNQCLSA-N 1 1 287.407 4.146 20 70 CIIDMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](C)C3)o2)cc1C ZINC000160471283 525860922 /nfs/dbraw/zinc/86/09/22/525860922.db2.gz OOZJIIUSUPXMEH-WFASDCNBSA-N 1 1 299.418 4.146 20 70 CIIDMO Fc1cc(Cl)ccc1C[NH2+][C@H]1CCCc2occc21 ZINC000160673079 526302352 /nfs/dbraw/zinc/30/23/52/526302352.db2.gz IXAIXRGBVRKLLC-AWEZNQCLSA-N 1 1 279.742 4.239 20 70 CIIDMO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccccc2C)cs1 ZINC000159566233 261188776 /nfs/dbraw/zinc/18/87/76/261188776.db2.gz OCMVYEYRHJISLB-OLZOCXBDSA-N 1 1 274.433 4.426 20 70 CIIDMO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccccc2C)cs1 ZINC000159566079 261188981 /nfs/dbraw/zinc/18/89/81/261188981.db2.gz OCMVYEYRHJISLB-CHWSQXEVSA-N 1 1 274.433 4.426 20 70 CIIDMO CC[C@@H]([NH2+][C@H](C)c1ccco1)c1cc(F)ccc1F ZINC000160169526 261206738 /nfs/dbraw/zinc/20/67/38/261206738.db2.gz WRKGWAJQQWIQFC-QMTHXVAHSA-N 1 1 265.303 4.360 20 70 CIIDMO CCC[N@@H+](Cc1ccccc1)Cc1ccccc1NC(C)=O ZINC000160481067 261215190 /nfs/dbraw/zinc/21/51/90/261215190.db2.gz IONBQQWAZYDSGJ-UHFFFAOYSA-N 1 1 296.414 4.057 20 70 CIIDMO CC[C@@H](c1ccc(F)cc1F)[N@H+](CC)Cc1ccccn1 ZINC000161061210 328123457 /nfs/dbraw/zinc/12/34/57/328123457.db2.gz LEAMCSIXMAANJB-KRWDZBQOSA-N 1 1 290.357 4.333 20 70 CIIDMO CC[C@@H](c1ccc(F)cc1F)[N@@H+](CC)Cc1ccccn1 ZINC000161061210 328123458 /nfs/dbraw/zinc/12/34/58/328123458.db2.gz LEAMCSIXMAANJB-KRWDZBQOSA-N 1 1 290.357 4.333 20 70 CIIDMO CC(C)[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1F ZINC000159370417 327174965 /nfs/dbraw/zinc/17/49/65/327174965.db2.gz VDFOTYZQJHVQDZ-SJKOYZFVSA-N 1 1 290.357 4.408 20 70 CIIDMO CC[C@H](c1ccncc1)[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000161199174 522965528 /nfs/dbraw/zinc/96/55/28/522965528.db2.gz DWJZOONVVWXWKE-GOSISDBHSA-N 1 1 296.414 4.046 20 70 CIIDMO C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccco1 ZINC000160184663 261207465 /nfs/dbraw/zinc/20/74/65/261207465.db2.gz JZHNAUDHWNLSQP-MFKMUULPSA-N 1 1 277.751 4.107 20 70 CIIDMO CC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccc(F)cc1F ZINC000160665301 261222335 /nfs/dbraw/zinc/22/23/35/261222335.db2.gz RYOGQCOKOVKPRC-HZMBPMFUSA-N 1 1 265.303 4.360 20 70 CIIDMO CC[C@@H]([NH2+]Cc1nccn1C(C)C)c1ccc(Cl)cc1 ZINC000160744794 327979221 /nfs/dbraw/zinc/97/92/21/327979221.db2.gz ZTJYYAYHAZODCD-OAHLLOKOSA-N 1 1 291.826 4.358 20 70 CIIDMO C[N@@H+](CCC(F)(F)F)Cc1ccc2ccccc2c1 ZINC000159511169 327399890 /nfs/dbraw/zinc/39/98/90/327399890.db2.gz LKLMWVYURHZOKF-UHFFFAOYSA-N 1 1 267.294 4.224 20 70 CIIDMO CCc1cnc(C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)s1 ZINC000218264077 330439259 /nfs/dbraw/zinc/43/92/59/330439259.db2.gz QPRGXRQRXUIQFV-VIFPVBQESA-N 1 1 298.814 4.349 20 70 CIIDMO Fc1ccc(SCC[N@H+]2CCc3sccc3C2)cc1 ZINC000218020702 333125735 /nfs/dbraw/zinc/12/57/35/333125735.db2.gz ITWJJJNMSGKBQE-UHFFFAOYSA-N 1 1 293.432 4.038 20 70 CIIDMO CC[C@@H]([NH2+]C1CCN(CC)CC1)c1cccc(Cl)c1F ZINC000161507937 522811174 /nfs/dbraw/zinc/81/11/74/522811174.db2.gz MDIDQQWEZZRDFE-OAHLLOKOSA-N 1 1 298.833 4.004 20 70 CIIDMO CC[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1ccc(F)cc1 ZINC000160813924 522960324 /nfs/dbraw/zinc/96/03/24/522960324.db2.gz FHPWXEGQIFSCRJ-GOSISDBHSA-N 1 1 284.378 4.334 20 70 CIIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000160559774 523879081 /nfs/dbraw/zinc/87/90/81/523879081.db2.gz GJTGJWVLTKSPTO-KBPBESRZSA-N 1 1 287.407 4.166 20 70 CIIDMO Fc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c(F)c1 ZINC000160926126 260160379 /nfs/dbraw/zinc/16/03/79/260160379.db2.gz ZAIURZCXGFQUNS-UHFFFAOYSA-N 1 1 285.696 4.047 20 70 CIIDMO CC[C@H]([NH2+][C@@H](C)c1ccco1)c1cc(F)ccc1F ZINC000160169183 261206564 /nfs/dbraw/zinc/20/65/64/261206564.db2.gz WRKGWAJQQWIQFC-HZMBPMFUSA-N 1 1 265.303 4.360 20 70 CIIDMO CC[C@H]([NH2+][C@H](C)c1ccco1)c1cc(F)ccc1F ZINC000160169407 261206662 /nfs/dbraw/zinc/20/66/62/261206662.db2.gz WRKGWAJQQWIQFC-YGRLFVJLSA-N 1 1 265.303 4.360 20 70 CIIDMO CC[C@H](c1ccc(F)cc1F)[N@H+](CC)Cc1ccccn1 ZINC000161061336 328123433 /nfs/dbraw/zinc/12/34/33/328123433.db2.gz LEAMCSIXMAANJB-QGZVFWFLSA-N 1 1 290.357 4.333 20 70 CIIDMO CC[C@H](c1ccc(F)cc1F)[N@@H+](CC)Cc1ccccn1 ZINC000161061336 328123434 /nfs/dbraw/zinc/12/34/34/328123434.db2.gz LEAMCSIXMAANJB-QGZVFWFLSA-N 1 1 290.357 4.333 20 70 CIIDMO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccco1 ZINC000160194136 327528918 /nfs/dbraw/zinc/52/89/18/327528918.db2.gz AALBOAXMPVDTAT-BXUZGUMPSA-N 1 1 289.350 4.372 20 70 CIIDMO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccco1 ZINC000160194392 327528936 /nfs/dbraw/zinc/52/89/36/327528936.db2.gz AALBOAXMPVDTAT-RISCZKNCSA-N 1 1 289.350 4.372 20 70 CIIDMO CC[C@@H]([NH2+]Cc1ccco1)c1cccc(Cl)c1F ZINC000161480794 522886734 /nfs/dbraw/zinc/88/67/34/522886734.db2.gz ICZJYPVKQHMFLR-CYBMUJFWSA-N 1 1 267.731 4.313 20 70 CIIDMO c1coc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000160712614 526566333 /nfs/dbraw/zinc/56/63/33/526566333.db2.gz MHFLSKATANKNOU-CQSZACIVSA-N 1 1 284.384 4.226 20 70 CIIDMO c1coc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000160712614 526566336 /nfs/dbraw/zinc/56/63/36/526566336.db2.gz MHFLSKATANKNOU-CQSZACIVSA-N 1 1 284.384 4.226 20 70 CIIDMO c1sc(C2CC2)nc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000161506586 526631289 /nfs/dbraw/zinc/63/12/89/526631289.db2.gz KUMFICWJYZQSGK-OAHLLOKOSA-N 1 1 284.428 4.010 20 70 CIIDMO CC[C@H]([NH2+]Cc1nccn1C(C)C)c1ccc(Cl)cc1 ZINC000160744669 327979050 /nfs/dbraw/zinc/97/90/50/327979050.db2.gz ZTJYYAYHAZODCD-HNNXBMFYSA-N 1 1 291.826 4.358 20 70 CIIDMO CCc1cnc(C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)s1 ZINC000218264117 330439231 /nfs/dbraw/zinc/43/92/31/330439231.db2.gz QPRGXRQRXUIQFV-SECBINFHSA-N 1 1 298.814 4.349 20 70 CIIDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217685808 333122836 /nfs/dbraw/zinc/12/28/36/333122836.db2.gz JFBPZZIVTYYLIJ-BBWFWOEESA-N 1 1 292.854 4.008 20 70 CIIDMO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217685808 333122838 /nfs/dbraw/zinc/12/28/38/333122838.db2.gz JFBPZZIVTYYLIJ-BBWFWOEESA-N 1 1 292.854 4.008 20 70 CIIDMO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1c(F)cccc1F ZINC000218120038 333127021 /nfs/dbraw/zinc/12/70/21/333127021.db2.gz DRYJFQMBXGBZBS-NSHDSACASA-N 1 1 286.325 4.297 20 70 CIIDMO CC[C@H]([NH2+][C@H](C)c1ccco1)c1ccc(F)cc1F ZINC000160665564 261222424 /nfs/dbraw/zinc/22/24/24/261222424.db2.gz RYOGQCOKOVKPRC-YGRLFVJLSA-N 1 1 265.303 4.360 20 70 CIIDMO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)cs1 ZINC000159565960 261189014 /nfs/dbraw/zinc/18/90/14/261189014.db2.gz OCMVYEYRHJISLB-STQMWFEESA-N 1 1 274.433 4.426 20 70 CIIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000161183839 328210841 /nfs/dbraw/zinc/21/08/41/328210841.db2.gz LRDYXSYSZMVOCQ-LBPRGKRZSA-N 1 1 292.785 4.457 20 70 CIIDMO c1ccc(C[N@H+](CC2CCOCC2)C2CCCCC2)cc1 ZINC000217171092 333119589 /nfs/dbraw/zinc/11/95/89/333119589.db2.gz VVSMCZRHGZZUQH-UHFFFAOYSA-N 1 1 287.447 4.248 20 70 CIIDMO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1c(F)cccc1F ZINC000218119950 333127075 /nfs/dbraw/zinc/12/70/75/333127075.db2.gz DRYJFQMBXGBZBS-LLVKDONJSA-N 1 1 286.325 4.297 20 70 CIIDMO CCCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000160481125 520433906 /nfs/dbraw/zinc/43/39/06/520433906.db2.gz FQKUHKRWGGJOKO-CQSZACIVSA-N 1 1 287.407 4.146 20 70 CIIDMO CC[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1ccc(F)cc1 ZINC000160813790 522771477 /nfs/dbraw/zinc/77/14/77/522771477.db2.gz FHPWXEGQIFSCRJ-SFHVURJKSA-N 1 1 284.378 4.334 20 70 CIIDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000161199054 523117738 /nfs/dbraw/zinc/11/77/38/523117738.db2.gz DWJZOONVVWXWKE-SFHVURJKSA-N 1 1 296.414 4.046 20 70 CIIDMO C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccco1 ZINC000160184543 261207476 /nfs/dbraw/zinc/20/74/76/261207476.db2.gz JZHNAUDHWNLSQP-GWCFXTLKSA-N 1 1 277.751 4.107 20 70 CIIDMO C[N@H+](Cc1cncs1)Cc1ccc(Cl)c(Cl)c1 ZINC000161137886 261238110 /nfs/dbraw/zinc/23/81/10/261238110.db2.gz JISWAEFPOPJIGH-UHFFFAOYSA-N 1 1 287.215 4.082 20 70 CIIDMO C[N@@H+](Cc1cncs1)Cc1ccc(Cl)c(Cl)c1 ZINC000161137886 261238114 /nfs/dbraw/zinc/23/81/14/261238114.db2.gz JISWAEFPOPJIGH-UHFFFAOYSA-N 1 1 287.215 4.082 20 70 CIIDMO CC[N@@H+](Cc1ccccn1)[C@H]1CCCc2ccc(F)cc21 ZINC000161072527 328125501 /nfs/dbraw/zinc/12/55/01/328125501.db2.gz JYUKHNKEWIYXER-SFHVURJKSA-N 1 1 284.378 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