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=C\C(=O)[O-])ccc1OCCO ZINC000195771371 959625061 /nfs/dbraw/zinc/62/50/61/959625061.db2.gz YNUMZJCKFQVSRH-HYXAFXHYSA-N -1 0 238.239 1.164 40 0 BDABRM NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000000000306 1024376050 /nfs/dbraw/zinc/37/60/50/1024376050.db2.gz OHHIAWWXDMYFGP-LLVKDONJSA-N -1 0 215.256 1.622 40 0 in-man BDABRM O=C([O-])c1ccn(Cc2ccc(F)cc2)n1 ZINC000011920504 136216113 /nfs/dbraw/zinc/21/61/13/136216113.db2.gz RYRZGSYTXKUMSZ-UHFFFAOYSA-N -1 0 220.203 1.769 40 0 BDABRM Cc1cc(S(=O)(=O)[O-])ccc1Cl ZINC000001680427 178217250 /nfs/dbraw/zinc/21/72/50/178217250.db2.gz HKCFHDMLRDLQSN-UHFFFAOYSA-N -1 0 206.650 1.895 40 0 BDABRM O=C([O-])c1ccc2nc(C3CCC3)nn2c1 ZINC000083991526 259308819 /nfs/dbraw/zinc/30/88/19/259308819.db2.gz FMGYMNBXAHXEPX-UHFFFAOYSA-N -1 0 217.228 1.695 40 0 BDABRM COc1cc(C(=O)[O-])c2c(c1OC)C(=O)OC2 ZINC000000405151 342687098 /nfs/dbraw/zinc/68/70/98/342687098.db2.gz CONALZDPFKYWDA-UHFFFAOYSA-N -1 0 238.195 1.072 40 0 BDABRM CCCOCc1ccc(N)cc1C(=O)[O-] ZINC000072209175 259316077 /nfs/dbraw/zinc/31/60/77/259316077.db2.gz GBMRHNKQEORWNQ-UHFFFAOYSA-N -1 0 209.245 1.894 40 0 BDABRM Clc1nc(Cl)nc([N-]c2ncccn2)n1 ZINC000001585608 342704406 /nfs/dbraw/zinc/70/44/06/342704406.db2.gz SHBVIPINOYBQEC-UHFFFAOYSA-N -1 0 243.057 1.712 40 0 BDABRM COC(=O)[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000002572885 342725018 /nfs/dbraw/zinc/72/50/18/342725018.db2.gz IYCUSOGFMJGUSU-VIFPVBQESA-N -1 0 214.261 1.831 40 0 BDABRM Cc1[nH]c(C)c(C(=O)[O-])c(=O)c1Cl ZINC000005297368 342761696 /nfs/dbraw/zinc/76/16/96/342761696.db2.gz ZXPKTYSXMAOZKM-UHFFFAOYSA-N -1 0 201.609 1.756 40 0 BDABRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ncccn1 ZINC000005605203 342767118 /nfs/dbraw/zinc/76/71/18/342767118.db2.gz DCQVFJIHYOTGMA-BDAKNGLRSA-N -1 0 249.270 1.306 40 0 BDABRM COC(=O)C12C[C@@H]3C[C@@H](CC(C(=O)[O-])(C3)C1)C2 ZINC000011535725 342841381 /nfs/dbraw/zinc/84/13/81/342841381.db2.gz QGHDOZIQCQPUHX-RFZWMSCOSA-N -1 0 238.283 1.831 40 0 BDABRM CCS(=O)(=O)C=C([O-])c1ccccc1F ZINC000081907220 259323380 /nfs/dbraw/zinc/32/33/80/259323380.db2.gz ZRZTTXKCGPWBSN-UHFFFAOYSA-N -1 0 230.260 1.443 40 0 BDABRM CC(C)(C)OC(=O)N1CC2CC(C(=O)[O-])(C2)C1 ZINC000012506104 342852957 /nfs/dbraw/zinc/85/29/57/342852957.db2.gz FCPFWYVZQPABSN-UHFFFAOYSA-N -1 0 241.287 1.718 40 0 BDABRM O=C([O-])CCNC(=O)Cc1cc(F)cc(F)c1 ZINC000096007038 398312216 /nfs/dbraw/zinc/31/22/16/398312216.db2.gz SVJFMVLYXKOESA-UHFFFAOYSA-N -1 0 243.209 1.098 40 0 BDABRM O=C1N=CN=C([O-])C1C1C=CC=CC=C1 ZINC000017014289 342919379 /nfs/dbraw/zinc/91/93/79/342919379.db2.gz LQVUKFSJNUXWRE-UHFFFAOYSA-N -1 0 202.213 1.241 40 0 BDABRM O=C([O-])COc1ccnc2c(F)ccc(F)c12 ZINC000064875175 259330198 /nfs/dbraw/zinc/33/01/98/259330198.db2.gz ZEWSKOAHLHNICO-UHFFFAOYSA-N -1 0 239.177 1.976 40 0 BDABRM CC(=O)N1CCC(c2ccc(C(=O)[O-])cn2)CC1 ZINC000019686558 342953555 /nfs/dbraw/zinc/95/35/55/342953555.db2.gz YOVNXLRPVINCRO-UHFFFAOYSA-N -1 0 248.282 1.506 40 0 BDABRM O=C([O-])c1cc(NCc2ccccc2)[nH]n1 ZINC000020353890 342982734 /nfs/dbraw/zinc/98/27/34/342982734.db2.gz VZEACCMDIGEZNI-UHFFFAOYSA-N -1 0 217.228 1.720 40 0 BDABRM O=C([O-])c1ccc(=O)n(Cc2cccc(F)c2)c1 ZINC000021804277 343021455 /nfs/dbraw/zinc/02/14/55/343021455.db2.gz IPIVGLPUCOHKRK-UHFFFAOYSA-N -1 0 247.225 1.734 40 0 BDABRM CCCn1nccc1[C@@H]1CCCN1CC(=O)[O-] ZINC000012397313 343094275 /nfs/dbraw/zinc/09/42/75/343094275.db2.gz YXJQDFFHUKRTFP-JTQLQIEISA-N -1 0 237.303 1.515 40 0 BDABRM CC(C)c1cc(COCCC(=O)[O-])no1 ZINC000012398805 343094801 /nfs/dbraw/zinc/09/48/01/343094801.db2.gz WCMILWMUFHIRIJ-UHFFFAOYSA-N -1 0 213.233 1.789 40 0 BDABRM CCCc1cc(COCCC(=O)[O-])on1 ZINC000012398804 343094865 /nfs/dbraw/zinc/09/48/65/343094865.db2.gz HBNREZDPOANESX-UHFFFAOYSA-N -1 0 213.233 1.618 40 0 BDABRM CC(=O)N[C@H](CCC(=O)c1ccccc1)C(=O)[O-] ZINC000002046480 187245019 /nfs/dbraw/zinc/24/50/19/187245019.db2.gz HYMHQWHWVZXOKO-LLVKDONJSA-N -1 0 249.266 1.239 40 0 BDABRM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000032010441 343228211 /nfs/dbraw/zinc/22/82/11/343228211.db2.gz MQUZAKABMZMHAH-QWRGUYRKSA-N -1 0 205.257 1.941 40 0 BDABRM CC(C)C[C@@H](NC(=O)c1cccs1)C(=O)[O-] ZINC000011757551 187250944 /nfs/dbraw/zinc/25/09/44/187250944.db2.gz LCTAEUBODKGXEU-MRVPVSSYSA-N -1 0 241.312 1.977 40 0 BDABRM C/C(=C\Cn1ccccc1=O)CCC(=O)[O-] ZINC000017003090 187252286 /nfs/dbraw/zinc/25/22/86/187252286.db2.gz WCVFUOBXTPIIQR-JXMROGBWSA-N -1 0 221.256 1.659 40 0 BDABRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)[O-])C(=O)C2 ZINC000017176232 187251742 /nfs/dbraw/zinc/25/17/42/187251742.db2.gz RJKJVBJXQGOMRP-GMSGAONNSA-N -1 0 216.302 1.604 40 0 BDABRM Cc1ccc(C2=NO[C@](C)(C(=O)[O-])C2)o1 ZINC000071981043 178513836 /nfs/dbraw/zinc/51/38/36/178513836.db2.gz ORTMKAQEDXSSQW-JTQLQIEISA-N -1 0 209.201 1.556 40 0 BDABRM COc1ccc(Cn2cnc(C(=O)[O-])c2)cc1 ZINC000071535810 187260399 /nfs/dbraw/zinc/26/03/99/187260399.db2.gz XGSNGFRIOQVFBA-UHFFFAOYSA-N -1 0 232.239 1.638 40 0 BDABRM CSc1ncc(C(=O)[O-])c(NC(C)C)n1 ZINC000039285527 343388200 /nfs/dbraw/zinc/38/82/00/343388200.db2.gz IPIYOTSHMSSGLY-UHFFFAOYSA-N -1 0 227.289 1.717 40 0 BDABRM COc1cccc2c([O-])c(C)c(=O)[nH]c12 ZINC000238403100 537819393 /nfs/dbraw/zinc/81/93/93/537819393.db2.gz QMVJJOHZWLHFJM-UHFFFAOYSA-N -1 0 205.213 1.551 40 0 BDABRM C[C@H](C(=O)[O-])n1nc(-c2ccco2)ccc1=O ZINC000575622341 343869231 /nfs/dbraw/zinc/86/92/31/343869231.db2.gz RJGOACYJQZNMOI-SSDOTTSWSA-N -1 0 234.211 1.149 40 0 BDABRM CC(=C([O-])c1ccc(Cl)cc1)S(C)(=O)=O ZINC000054929906 259373530 /nfs/dbraw/zinc/37/35/30/259373530.db2.gz GFSJYYIQXWPUIR-ZETCQYMHSA-N -1 0 246.715 1.956 40 0 BDABRM CC(=C([O-])c1ccc(C)cc1)S(C)(=O)=O ZINC000054929965 259373608 /nfs/dbraw/zinc/37/36/08/259373608.db2.gz BBFSXBWCPNSMPM-VIFPVBQESA-N -1 0 226.297 1.611 40 0 BDABRM CC(=O)Nc1ccc2ccc(CC(=O)[O-])cc2n1 ZINC000057347769 259374176 /nfs/dbraw/zinc/37/41/76/259374176.db2.gz PJZHOFNJQXYTNN-UHFFFAOYSA-N -1 0 244.250 1.820 40 0 BDABRM COc1cccc2c1[C@H](CC(=O)[O-])CO2 ZINC000258131028 344467744 /nfs/dbraw/zinc/46/77/44/344467744.db2.gz PUZKYLCWENTJNY-SSDOTTSWSA-N -1 0 208.213 1.646 40 0 BDABRM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccsc2)N1 ZINC000005067453 187361749 /nfs/dbraw/zinc/36/17/49/187361749.db2.gz PINMDTPEPNPDGO-BDAKNGLRSA-N -1 0 249.295 1.160 40 0 BDABRM Cc1cccc(C2=NO[C@H](C(=O)[O-])C2)c1 ZINC000020594066 179051944 /nfs/dbraw/zinc/05/19/44/179051944.db2.gz QVASRSHRUVGMMM-JTQLQIEISA-N -1 0 205.213 1.573 40 0 BDABRM CN1C(=O)C[C@H](C(=O)[O-])c2cc(F)c(F)cc21 ZINC000062712416 346576275 /nfs/dbraw/zinc/57/62/75/346576275.db2.gz NFHFZOVRTMOCPQ-LURJTMIESA-N -1 0 241.193 1.500 40 0 BDABRM Cc1ccccc1-n1nncc1C(=O)[O-] ZINC000036917461 179243281 /nfs/dbraw/zinc/24/32/81/179243281.db2.gz KYTPDKUCJOQXNH-UHFFFAOYSA-N -1 0 203.201 1.274 40 0 BDABRM Cc1nc2ccccc2nc1CCC(=O)[O-] ZINC000001556552 180102848 /nfs/dbraw/zinc/10/28/48/180102848.db2.gz LHYSVUPJHRIDPD-UHFFFAOYSA-N -1 0 216.240 1.955 40 0 BDABRM Cc1cc(=O)c2cc(C(=O)[O-])ccc2n1C ZINC000040164069 350358065 /nfs/dbraw/zinc/35/80/65/350358065.db2.gz SDKRYYFPHWPDEX-UHFFFAOYSA-N -1 0 217.224 1.545 40 0 BDABRM COC(=O)C(=C(C)[O-])C(=O)c1ccc(C)cc1 ZINC000039167727 350333204 /nfs/dbraw/zinc/33/32/04/350333204.db2.gz ROWRTHTUTYQZNK-NSHDSACASA-N -1 0 234.251 1.556 40 0 BDABRM Cc1cn2nc(C(=O)[O-])cc2c(Cl)n1 ZINC000409424102 350476021 /nfs/dbraw/zinc/47/60/21/350476021.db2.gz XNZPUSUAEHTQFH-UHFFFAOYSA-N -1 0 211.608 1.389 40 0 BDABRM COc1cc(C[C@H](C)C(=O)[O-])cc(OC)c1 ZINC000039202428 363150080 /nfs/dbraw/zinc/15/00/80/363150080.db2.gz FRELPDYZPNNWJO-QMMMGPOBSA-N -1 0 224.256 1.967 40 0 BDABRM COc1cc(Br)c(C(=O)[O-])cc1N ZINC000040571592 187944103 /nfs/dbraw/zinc/94/41/03/187944103.db2.gz PZSAJYIIGFPFGG-UHFFFAOYSA-N -1 0 246.060 1.738 40 0 BDABRM Oc1ccc(-c2nnnn2CC(F)(F)F)nc1 ZINC000685938649 538886506 /nfs/dbraw/zinc/88/65/06/538886506.db2.gz 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210.233 1.008 40 0 BDABRM O=C([O-])c1cnc(-c2ccsc2)nc1 ZINC000039957366 182588138 /nfs/dbraw/zinc/58/81/38/182588138.db2.gz DZJLCCIWVWRSFB-UHFFFAOYSA-N -1 0 206.226 1.903 40 0 BDABRM O=C1OCc2c1c(Cl)c(F)cc2[O-] ZINC000096171647 182835348 /nfs/dbraw/zinc/83/53/48/182835348.db2.gz GCAHDEIQQYGCSE-UHFFFAOYSA-N -1 0 202.568 1.855 40 0 BDABRM O=S(=O)([O-])OCNc1cc(F)cc(F)c1 ZINC000001574114 182902679 /nfs/dbraw/zinc/90/26/79/182902679.db2.gz BSECRVVQHUQCQX-UHFFFAOYSA-N -1 0 239.199 1.154 40 0 BDABRM O=S(=O)([O-])c1cccc(-c2ccccc2)n1 ZINC000071256935 182903918 /nfs/dbraw/zinc/90/39/18/182903918.db2.gz FYDPXSOQIYDOQF-UHFFFAOYSA-N -1 0 235.264 1.995 40 0 BDABRM [O-]c1cnnc(=S)n1-c1ccc(F)cc1 ZINC000100070511 183007055 /nfs/dbraw/zinc/00/70/55/183007055.db2.gz WMLZUBSNIWBQCB-UHFFFAOYSA-N -1 0 223.232 1.429 40 0 BDABRM CCCC[C@](CC)(SCC(N)=O)C(=O)[O-] ZINC000001752434 169015097 /nfs/dbraw/zinc/01/50/97/169015097.db2.gz CMCJKRCXLRARIV-JTQLQIEISA-N -1 0 233.333 1.629 40 0 BDABRM CCCOC(=O)c1ccccc1C(=O)[O-] ZINC000001569013 169301283 /nfs/dbraw/zinc/30/12/83/169301283.db2.gz NFOQRIXSEYVCJP-UHFFFAOYSA-N -1 0 208.213 1.952 40 0 in-vitro BDABRM O=C([O-])CN(Cc1ccccn1)C1CC1 ZINC000037474597 383881917 /nfs/dbraw/zinc/88/19/17/383881917.db2.gz LKMQRRQUBVDMKX-UHFFFAOYSA-N -1 0 206.245 1.131 40 0 BDABRM O=C([O-])c1cnn(-c2ccc(Cl)cn2)n1 ZINC000089261666 383954690 /nfs/dbraw/zinc/95/46/90/383954690.db2.gz XWPRMXZOWSUNIS-UHFFFAOYSA-N -1 0 224.607 1.014 40 0 BDABRM CCN(CC(=O)[O-])c1ccccc1OC ZINC000076584654 384062173 /nfs/dbraw/zinc/06/21/73/384062173.db2.gz WWXLPKDLXBZEFC-UHFFFAOYSA-N -1 0 209.245 1.606 40 0 BDABRM COC(=O)C=C1SC(=O)[N-]C1=S ZINC000039280042 384111089 /nfs/dbraw/zinc/11/10/89/384111089.db2.gz DXGZVALUGJXQCZ-IHWYPQMZSA-N -1 0 203.244 1.032 40 0 BDABRM C[C@@]1(C(=O)[O-])CC(c2cccc(F)c2)=NO1 ZINC000071981029 384192644 /nfs/dbraw/zinc/19/26/44/384192644.db2.gz XDSRHUOAYUUCJT-NSHDSACASA-N -1 0 223.203 1.793 40 0 BDABRM Cc1cc(C)nc([C@]2(C)CCCN2CC(=O)[O-])n1 ZINC000072388345 384219221 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O=C([O-])[C@@H]1C[C@H]1c1cnn2ccccc12 ZINC000096509138 182522026 /nfs/dbraw/zinc/52/20/26/182522026.db2.gz DZVMCYRCLABOBT-HTQZYQBOSA-N -1 0 202.213 1.522 40 0 BDABRM O=C([O-])[C@H]1CCN(c2nccnc2Cl)C1 ZINC000096515929 182538545 /nfs/dbraw/zinc/53/85/45/182538545.db2.gz PFPHDKVKPPRVQU-LURJTMIESA-N -1 0 227.651 1.041 40 0 BDABRM CCCN(CC(=O)[O-])c1ccccc1OC ZINC000076611437 169099167 /nfs/dbraw/zinc/09/91/67/169099167.db2.gz IHRVRCUDZSBPED-UHFFFAOYSA-N -1 0 223.272 1.996 40 0 BDABRM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)[O-])C1 ZINC000091304568 166657675 /nfs/dbraw/zinc/65/76/75/166657675.db2.gz HFZDQTVYEXMISZ-PRHODGIISA-N -1 0 241.287 1.718 40 0 BDABRM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-] ZINC000261507211 166657926 /nfs/dbraw/zinc/65/79/26/166657926.db2.gz GMGUVTWUHZJSAF-IWSPIJDZSA-N -1 0 241.287 1.717 40 0 BDABRM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)[O-])[C@@H]2C1 ZINC000100132567 166657637 /nfs/dbraw/zinc/65/76/37/166657637.db2.gz ZABCRTNBUJAXAL-PSVAKVPMSA-N -1 0 241.287 1.574 40 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C=COC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000001720043 384449565 /nfs/dbraw/zinc/44/95/65/384449565.db2.gz JSCRNELFFZZNRI-BQBZGAKWSA-N -1 0 201.222 1.355 40 0 BDABRM CCCCOC(=S)SCC(=O)[O-] ZINC000001693441 384436531 /nfs/dbraw/zinc/43/65/31/384436531.db2.gz BRLMILCMHSUEOL-UHFFFAOYSA-N -1 0 208.304 1.906 40 0 BDABRM COCOc1ccc(C(=O)[O-])c(C)c1C ZINC000224679092 384498090 /nfs/dbraw/zinc/49/80/90/384498090.db2.gz OKJHBWKIBNQEMR-UHFFFAOYSA-N -1 0 210.229 1.984 40 0 BDABRM COC(=O)COc1ccc(/C=C/C(=O)[O-])cc1 ZINC000020134198 384583189 /nfs/dbraw/zinc/58/31/89/384583189.db2.gz RFINMPPJGLHZCR-QPJJXVBHSA-N -1 0 236.223 1.336 40 0 BDABRM C[C@](C(=O)[O-])(c1cccs1)N1CCOCC1 ZINC000070453229 384563940 /nfs/dbraw/zinc/56/39/40/384563940.db2.gz DYHAFNMVIFWRST-LLVKDONJSA-N -1 0 241.312 1.380 40 0 BDABRM CCCn1nc(C(=O)OCC)cc1C(=O)[O-] ZINC000408717586 384707489 /nfs/dbraw/zinc/70/74/89/384707489.db2.gz JEZKLHVOFGNHND-UHFFFAOYSA-N -1 0 226.232 1.168 40 0 BDABRM O=C([O-])c1coc(Cc2ccccc2)n1 ZINC000071508537 384938161 /nfs/dbraw/zinc/93/81/61/384938161.db2.gz VAYBOSNJNOVYKB-UHFFFAOYSA-N -1 0 203.197 1.964 40 0 BDABRM O=C([O-])c1ccc(OC[C@H]2CC2(F)F)nc1 ZINC000096515604 385009443 /nfs/dbraw/zinc/00/94/43/385009443.db2.gz XGCQEIHWVRMPPU-SSDOTTSWSA-N -1 0 229.182 1.814 40 0 BDABRM O=C([O-])c1cc(COCC2CCC2)[nH]n1 ZINC000072226144 385124522 /nfs/dbraw/zinc/12/45/22/385124522.db2.gz HWKKTCBFXOSLQN-UHFFFAOYSA-N -1 0 210.233 1.425 40 0 BDABRM O=c1cc(Nc2ccc(O)cc2)[nH]c(=S)[nH]1 ZINC000072226411 385125424 /nfs/dbraw/zinc/12/54/24/385125424.db2.gz RVFTZUYUCRSHCE-UHFFFAOYSA-N -1 0 235.268 1.882 40 0 BDABRM Cc1cc(C)n(Cn2nc(C(=O)[O-])cc2C)n1 ZINC000062701452 385181054 /nfs/dbraw/zinc/18/10/54/385181054.db2.gz QLLPDJITYWROJD-UHFFFAOYSA-N -1 0 234.259 1.209 40 0 BDABRM COC(=O)[C@H]1CC=C[C@H](C)[C@]1(C)C(=O)[O-] ZINC000045027983 385235490 /nfs/dbraw/zinc/23/54/90/385235490.db2.gz MHHVBCDDBZTFFN-RNSXUZJQSA-N -1 0 212.245 1.463 40 0 BDABRM Cc1ccn2ncc([C@@H]3C[C@H]3C(=O)[O-])c2c1 ZINC000096509113 385240236 /nfs/dbraw/zinc/24/02/36/385240236.db2.gz HRDUPTIIXSBRAP-RKDXNWHRSA-N -1 0 216.240 1.831 40 0 BDABRM C[C@]1(c2ccccc2)OCCO[C@H]1C(=O)[O-] ZINC000096509487 385241077 /nfs/dbraw/zinc/24/10/77/385241077.db2.gz ULBIDKSLVCYASV-CMPLNLGQSA-N -1 0 222.240 1.402 40 0 BDABRM COc1ccc([C@@H](C)n2cc(C(=O)[O-])nn2)cc1 ZINC000096510202 385244264 /nfs/dbraw/zinc/24/42/64/385244264.db2.gz GKYFDLWVAVNYSC-MRVPVSSYSA-N -1 0 247.254 1.594 40 0 BDABRM O=C([O-])[C@@H]1CCN(c2nc3cccnc3s2)C1 ZINC000096515985 385258043 /nfs/dbraw/zinc/25/80/43/385258043.db2.gz KKMNCFLHUMUUGK-SSDOTTSWSA-N -1 0 249.295 1.602 40 0 BDABRM CCCc1nc2c(cn(C)c2C(=O)[O-])c(N)n1 ZINC000096524199 385264013 /nfs/dbraw/zinc/26/40/13/385264013.db2.gz ZAUSGGTWRUMTMM-UHFFFAOYSA-N -1 0 234.259 1.201 40 0 BDABRM O=C([O-])COCc1nc(C2CC2)cs1 ZINC000096528212 385274572 /nfs/dbraw/zinc/27/45/72/385274572.db2.gz BLVQMOAASAWGCP-UHFFFAOYSA-N -1 0 213.258 1.622 40 0 BDABRM O=C([O-])[C@H]1[C@H](c2cncnc2)C1(Cl)Cl ZINC000096529767 385284955 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/nfs/dbraw/zinc/58/27/24/386582724.db2.gz AWCLWIBIPNQHCV-UHFFFAOYSA-N -1 0 220.203 1.769 40 0 BDABRM O=C([O-])c1nccn1Cc1cccnc1 ZINC000098213982 386683736 /nfs/dbraw/zinc/68/37/36/386683736.db2.gz GZKPUOSZBKIDMU-UHFFFAOYSA-N -1 0 203.201 1.025 40 0 BDABRM O=C([O-])c1cccc(=O)n1CC(F)(F)F ZINC000098214085 386683805 /nfs/dbraw/zinc/68/38/05/386683805.db2.gz YPTMUSIOZIZXCC-UHFFFAOYSA-N -1 0 221.134 1.109 40 0 BDABRM CCn1ncc2c1C[C@@H](C(=O)[O-])CCC2 ZINC000575422294 387033556 /nfs/dbraw/zinc/03/35/56/387033556.db2.gz BBILPYJDUZDRAV-QMMMGPOBSA-N -1 0 208.261 1.483 40 0 BDABRM CC(C)C(=O)n1c(=O)c2ccccc2[n-]c1=S ZINC000103650355 387497972 /nfs/dbraw/zinc/49/79/72/387497972.db2.gz HNXCKWNXMNOXPI-UHFFFAOYSA-N -1 0 248.307 1.981 40 0 BDABRM CCc1cc(N2CC[C@@H](C(=O)[O-])C2)nc(C)n1 ZINC000088759843 387752678 /nfs/dbraw/zinc/75/26/78/387752678.db2.gz VVPKTMPGBQMXOU-SECBINFHSA-N -1 0 235.287 1.258 40 0 BDABRM CCc1ccc(O)c(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000045953718 387729018 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